ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

Class #13

• Matter wave incident on a step potential with E>V

• Solutions of the SWE

• Interpretation of the wave functions

• Probabilities of reflection and transmission

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

➢Suggested Reading
1. Concepts of Modern Physics, Arthur Beiser, Chapter 5

2. Learning material unit II prepared by the Department

of Physics

➢Reference Videos

1. Video lectures : MIT 8.04 Quantum Physics I

2. Engineering Physics Class #12

ENGINEERING PHYSICS
Particle interacting with fields: Classical vs Quantum
ENGINEERING PHYSICS
Problem statement
• A particle of mass m with energy E moving from a region of zero potential
for 𝒙 < 𝟎 into a region of constant potential 𝑽𝒐 for 𝒙 > 𝟎 (step potential, E>Vo)

2. 𝑬 < 𝑽𝒐
1. 𝑬 > 𝑽𝒐

Two possible
cases

• The problem can be split as a two region problem for each of the two energy
situations : Region I 𝒙 < 𝟎 → 𝑽 = 𝟎 & Region II 𝒙 > 𝟎 → 𝑽 = 𝑽𝒐
ENGINEERING PHYSICS
Problem Statement
Practical Case: Semiconductors

If we grow one semiconductor material on top of another we can

get a discontinuity in the potential
An electron moving through the material may be reflected or
transmitted when it encounters this discontinuity
This will effect the ‘transport properties’ of the device
Image courtesy: Slide share
ENGINEERING PHYSICS
Case I: Particle moving into a region of constant potential (Step potential)- 𝑬 > 𝑽𝒐

• Region I: 𝒙 < 𝟎 ; 𝑽 = 𝟎
• The general Schrodinger’s wave equation (SWE)
𝝏𝟐 𝝍𝑰 (𝒙) 𝟐𝒎
𝟐
+ 𝟐 𝑬 − 𝑽 𝝍𝑰 (𝒙) = 𝟎
𝝏𝒙 ℏ
• 𝑽 = 𝟎 implies a free particle and the SWE reduces to
𝝏𝟐 𝝍𝑰 (𝒙) 𝟐𝒎
𝟐
+ 𝟐 𝑬𝝍𝑰 (𝒙) = 𝟎
𝝏𝒙 ℏ
𝝏𝟐 𝝍𝑰 (𝒙) 𝟐 𝝍 (𝒙) = 𝟎
+ 𝒌𝑰 𝑰
𝝏𝒙𝟐
𝟐𝒎𝑬 ℏ𝟐 𝒌𝑰𝟐 Also remember
Where 𝒌𝑰 = or 𝑬 = 𝒅𝟐 𝝍 𝒙 . 𝟖𝝅𝟐 𝒎
ℏ𝟐 𝟐𝒎 + 𝑬−𝑽 𝝍 𝒙 =𝟎
𝒅𝒙𝟐 𝒉𝟐
ENGINEERING PHYSICS
Case I: Particle moving into a region of constant potential (Step potential)- 𝑬 > 𝑽𝒐

• Region I 𝒙 < 𝟎 ; 𝑽 = 𝟎
Possible solution for second
• The general solution for the wave function order homogeneous diff eqn.
𝝍𝑰 = 𝑨𝒆𝒊𝒌𝑰𝒙 + 𝑩𝒆−𝒊𝒌𝑰𝒙 𝝏𝟐 𝝍𝑰 (𝒙)
𝟐
+ 𝒌𝑰𝟐 𝝍𝑰 (𝒙) = 𝟎
𝝏𝒙
• 𝑨𝒆𝒊𝒌𝑰 𝒙 → represents forward moving incident wave
• 𝑩𝒆−𝒊𝒌𝑰𝒙 ← represents backward moving reflected wave
ENGINEERING PHYSICS
Case I: Particle moving into a region of constant potential (Step potential)- 𝑬 > 𝑽𝒐

• Region II: 𝒙 > 𝟎 ; V = V0 < E (E- V0)

• The general Schrodinger’s wave equation (SWE)
𝝏𝟐 𝝍𝑰𝑰 (𝒙) 𝟐𝒎
𝟐
+ 𝟐 𝑬 − 𝑽 𝝍𝑰𝑰 (𝒙) = 𝟎
𝝏𝒙 ℏ
• The SWE reduces to
𝝏𝟐 𝝍𝑰𝑰 (𝒙) 𝟐𝒎
𝟐
+ 𝟐 (E− V0)𝝍𝑰𝑰 (𝒙) = 𝟎
𝝏𝒙 ℏ
𝝏𝟐 𝝍𝑰𝑰 (𝒙) 𝟐 𝝍 (𝒙) = 𝟎
+ 𝒌𝑰𝑰 𝑰𝑰
𝝏𝒙𝟐
𝟐𝒎(E− V0) ℏ𝟐 𝒌𝑰𝑰𝟐
Where 𝒌𝑰𝑰 = or 𝑬 = + V0
ℏ𝟐 𝟐𝒎
ENGINEERING PHYSICS
Case I: Particle moving into a region of constant potential (Step potential)- 𝑬 > 𝑽𝒐

• Region II 𝒙 > 𝟎 ; V = V0 < E (E- V0)

• The general solution for the wave function
Similar to previous case, Possible solution
𝝍𝑰𝑰 (𝒙) = 𝑫𝒆𝒊𝒌𝑰𝑰𝒙 + 𝑭𝒆−𝒊𝒌𝑰𝑰 𝒙 for second order homogeneous diff eqn.

• Beyond x=0 there is no disruption in the

potential and the wave continues to move in No possible disruption

the forward direction only (𝑭𝒆−𝒊𝒌𝑰𝑰 𝒙 )

• The transmitted wave, 𝝍𝑰𝑰 (𝒙) = 𝑫𝒆𝒊𝒌𝑰𝑰𝒙
ENGINEERING PHYSICS
Case I: Particle moving into a region of constant potential (Step potential)- 𝑬 > 𝑽𝒐

V = V0

Region I Region II

• 𝑨𝒆𝒊𝒌𝑰 𝒙 → represents forward moving incident wave

• 𝑩𝒆−𝒊𝒌𝑰𝒙 ← represents backward moving reflected wave
• The transmitted wave, 𝝍𝑰𝑰 (𝒙) = 𝑪𝒆𝒊𝒌𝑰𝑰𝒙
ENGINEERING PHYSICS
Particle moving into a region of constant potential - 𝑬 > 𝑽𝒐
Reflection and Transmission Coefficients
What happens a particle when it encounters a potential step?
The particle does not split into two fragments, but rather it has a
certain probability of being transmitted and a probability of being
reflected
A better way: Consider a beam of particles incident on the potential
discontinuity, then- a certain fraction of them will be transmitted
and the rest will be reflected
Eg: If there are 1000 particles per second in the incident beam and 400 are
reflected per unit time while 600 are transmitted per unit time then
ENGINEERING PHYSICS
Particle moving into a region of constant potential – 𝑬 > 𝑽𝒐 Evaluation of Coefficients

• The wave functions 𝝍𝑰 (𝒙) and 𝝍𝑰𝑰 (𝒙)and their derivatives

w.r.t to 𝒙, 𝒅𝝍𝑰𝑰 (𝒙) and 𝒅𝝍𝑰𝑰 𝒙 have to be continuous at the Remember conditions
boundary 𝒙 = 𝟎 (only one boundary) for well behaved wave
functions
• 𝑨𝒕 𝒙 = 𝟎, 𝝍𝑰 𝟎 = 𝝍𝑰𝑰 𝟎
𝝍𝑰 = 𝑨𝒆𝒊𝒌𝑰 𝒙 + 𝑩𝒆−𝒊𝒌𝑰 𝒙 𝝍𝑰𝑰 (𝒙) = 𝑫𝒆𝒊𝒌𝑰𝑰 𝒙

𝑨𝒕 𝒙 = 𝟎 𝑨 + 𝑩 = 𝑫-----------(1)
• 𝑨𝒕 𝒙 = 𝟎, 𝒅𝝍𝑰 𝟎 = 𝒅𝝍𝑰𝑰 𝟎

𝒅𝝍𝑰 = 𝒊𝒌𝑰𝑨𝒆𝒊𝒌𝑰 𝒙 − 𝒊𝒌𝑰𝑩𝒆−𝒊𝒌𝑰 𝒙 𝒅𝝍𝑰𝑰 (𝒙) = 𝒊𝒌𝑰𝑰𝑫𝒆𝒊𝒌𝑰𝑰 𝒙

𝒌𝑰𝑰
𝑨𝒕 𝒙 = 𝟎 𝒊𝒌𝟏 𝑨 − 𝑩 = 𝒊𝒌𝑰𝑰 𝑫 𝑨−𝑩= 𝑫-----------(2)
𝒌𝑰
ENGINEERING PHYSICS
Particle moving into a region of constant potential – 𝑬 > 𝑽𝒐 Evaluation of Coefficients

𝒌𝑰𝑰
𝑨 + 𝑩 = 𝑫-----------(1) 𝑨−𝑩= 𝑫-----------(2)
𝒌𝑰

𝑫𝒌𝑰 + 𝑫𝒌𝑰𝑰 𝒌𝑰
• 1+2 yields, 𝟐𝑨 = 𝑫 = 𝟐𝑨
𝒌𝑰 𝒌𝑰 + 𝒌𝑰𝑰
𝒌𝑰 −𝒌𝑰𝑰 𝒌𝑰 𝒌𝑰 −𝒌𝑰𝑰
• 1-2 yields, 𝟐𝑩 = 𝑫 = 𝟐𝐀
𝒌𝑰 𝒌𝑰 + 𝒌𝑰𝑰 𝒌𝑰

𝒌𝑰 − 𝒌𝑰𝑰
𝑩=𝑨
𝒌𝑰 + 𝒌𝑰𝑰

• 𝑩 ≠ 𝟎, implies a small probability amplitude for reflection!

ENGINEERING PHYSICS
Case I: Particle in a constant potential (Step potential)- 𝑬 > 𝑽𝒐

Evaluation of Reflection and Transmission Coefficients

• Define the flux of the wave function as (𝝍∗ 𝝍)velocity

WKT

• The flux of incident waves 𝑨∗ 𝒆−𝒊𝒌𝑰𝒙 𝑨𝒆𝒊𝒌𝑰𝒙 = 𝑨∗ 𝑨 × 𝒗𝑰

𝒌𝑰 − 𝒌𝑰𝑰
• The flux of reflected waves 𝑩∗ 𝒆𝒊𝒌𝑰𝒙 𝑩𝒆−𝒊𝒌𝑰𝒙 = 𝑩∗ 𝑩 × 𝒗𝑰 𝑩=𝑨
𝒌𝑰 + 𝒌𝑰𝑰

• The probability of reflection or the reflection co-efficient 𝟐𝒎𝑬

𝒌𝑰 =
ℏ𝟐

𝒇𝒍𝒖𝒙 𝒐𝒇 𝒓𝒆𝒇𝒍𝒆𝒄𝒕𝒆𝒅 𝒘𝒂𝒗𝒆𝒔 𝑩∗ 𝑩 𝒗𝑰 𝒌𝑰 − 𝒌𝑰𝑰 𝟐

𝑹= = = >0 𝟐𝒎(E− V0)
𝒇𝒍𝒖𝒙 𝒐𝒇 𝒊𝒏𝒄𝒊𝒅𝒆𝒏𝒕 𝒘𝒂𝒗𝒆𝒔 𝑨∗ 𝑨 𝒗𝑰 𝒌𝑰 +𝒌𝑰𝑰 𝒌𝑰𝑰 =
ℏ𝟐
ENGINEERING PHYSICS
Particle moving into a region of constant potential (Step potential)- 𝑬 > 𝑽𝒐

Transmission Coefficient

• The flux of transmitted waves

Flux of the wave function
(𝝍∗ 𝝍)velocity
𝑫∗ 𝒆−𝒊𝒌𝑰𝑰𝒙 𝑫𝒆𝒊𝒌𝑰𝑰𝒙 = 𝑫∗ 𝑫 × 𝒗𝑰𝑰
• The probability of transmission over the step or the
transmission co-efficient
𝒌𝑰
𝑫 = 𝟐𝑨
𝒇𝒍𝒖𝒙 𝒐𝒇 𝒕𝒓𝒂𝒏𝒔𝒎𝒊𝒕𝒕𝒆𝒅 𝒘𝒂𝒗𝒆𝒔 𝑫∗ 𝑫 𝒗𝑰𝑰 𝟒𝒌𝑰 𝒌𝑰𝑰 𝒌𝑰 + 𝒌𝑰𝑰
𝑻= = ∗ = 𝟐
𝒇𝒍𝒖𝒙 𝒐𝒇 𝒊𝒏𝒄𝒊𝒅𝒆𝒏𝒕 𝒘𝒂𝒗𝒆𝒔 𝑨 𝑨 𝒗𝑰 𝒌𝑰 + 𝒌𝑰𝑰
• It is observed that R+T = 1
The total incident flux= reflected flux + transmitted flux 𝑻𝒉𝒖𝒔, 𝑽𝑰 𝜶 𝒌𝑰 𝒂𝒏𝒅 𝑽𝑰𝑰 𝜶 𝒌𝑰𝑰
ENGINEERING PHYSICS
Summarizing Case I of step potential:E>V0
ENGINEERING PHYSICS
Summarizing Case I of step potential: E>V0
 ENGINEERING PHYSICS
Class #13 …….. Quiz …
The concepts that are true …..
1. If the energy of the particle is greater than the potential
step, then then there is no probability of reflection.
2. The de Broglie wavelength of the particle in the region of
constant potential is greater than that of the incident
particle
3. The propagation constant of the particle in the region of
potential is less than that of the particle in the zero
potential region
4. The flux of transmitted waves = flux of reflected waves + flux
of incident waves False
ENGINEERING PHYSICS
Class #13 Numericals
1. 104 electrons incident on a potential step of height 8 eV. If the
energy of each electron is 10 eV, estimate the reflection
coefficient and probability of reflection.
𝟐
𝒇𝒍𝒖𝒙 𝒐𝒇 𝒓𝒆𝒇𝒍𝒆𝒄𝒕𝒆𝒅 𝒘𝒂𝒗𝒆𝒔 𝑩∗ 𝑩 𝒗𝑰 𝒌𝑰 − 𝒌𝑰𝑰
𝑹= = ∗ =
𝒇𝒍𝒖𝒙 𝒐𝒇 𝒊𝒏𝒄𝒊𝒅𝒆𝒏𝒕 𝒘𝒂𝒗𝒆𝒔 𝑨 𝑨 𝒗𝑰 𝒌𝑰 + 𝒌𝑰𝑰

𝟐𝒎𝑬 𝟐𝒎(E− V0)

𝒌𝑰 = 𝒌𝑰𝑰 =
ℏ𝟐 ℏ𝟐
2
𝑬 − 𝑬 − 𝑽0
𝑺𝒖𝒃𝒔𝒕𝒊𝒕𝒖𝒕𝒊𝒏𝒈 𝑲𝑰 𝒂𝒏𝒅 𝑲𝑰𝑰 , 𝒘𝒆 𝒈𝒆𝒕 𝑹 = = 0.146
𝑬 + 𝑬 − 𝑽0
probability of reflection = 0.146 𝒐𝒓 14.6 %

𝑵𝒐. 𝒐𝒇 𝒆𝒍𝒆𝒄𝒕𝒓𝒐𝒏𝒔 𝒍𝒊𝒌𝒆𝒍𝒚 𝒕𝒐 𝒓𝒆𝒇𝒍𝒆𝒄𝒕 = 𝑹𝒙𝑵𝒐. 𝒐𝒇 𝒆𝒍𝒆𝒄𝒕𝒓𝒐𝒏𝒔 = 0.146 𝒙 104

ENGINEERING PHYSICS
Class #13 Conceptual question

1. A stream of particles of mass m and total energy E moves

towards a potential step. If the energy of the electrons is
greater than the step potential (E>V0), by applying continuity
conditions obtain the expression for reflection coefficient.

𝒇𝒍𝒖𝒙 𝒐𝒇 𝒓𝒆𝒇𝒍𝒆𝒄𝒕𝒆𝒅 𝒘𝒂𝒗𝒆𝒔 𝑩∗ 𝑩 𝒗𝑰 𝒌𝑰 − 𝒌𝑰𝑰 𝟐

𝑹= = = >0
𝒇𝒍𝒖𝒙 𝒐𝒇 𝒊𝒏𝒄𝒊𝒅𝒆𝒏𝒕 𝒘𝒂𝒗𝒆𝒔 𝑨∗ 𝑨 𝒗𝑰 𝒌𝑰 +𝒌𝑰𝑰
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Muhammad Faisal, PhD

Department of Science and Humanities
ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

Matter wave incident on a step potential case E < V0

• Solutions of the SWE

• Interpretation of the wave functions

• Probabilities of penetration into the region of the

potential
ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

➢Suggested Reading
1. Concepts of Modern Physics, Arthur Beiser, Chapter 5

2. Learning material unit II prepared by the Department

of Physics

➢Reference Videos

1. Video lectures : MIT 8.04 Quantum Physics I

2. Engineering Physics Class #13

ENGINEERING PHYSICS
Case II: Particle moving into a region of constant potential (Step potential)- 𝑬 < 𝑽𝒐

• Region I: 𝒙 < 𝟎; 𝑽 = 𝟎 (similar to E > Vo)

• The general Schrodinger’s wave equation
𝝏𝟐 𝝍𝑰 (𝒙) 𝟐𝒎
𝟐
+ 𝟐 𝑬 − 𝑽 𝝍𝑰 (𝒙) = 𝟎
𝝏𝒙 ℏ
• 𝑽 = 𝟎 implies a free particle and the SWE reduces to
𝝏𝟐 𝝍𝑰 (𝒙) 𝟐𝒎
𝟐
+ 𝟐 𝑬𝝍𝑰 (𝒙) = 𝟎
𝝏𝒙 ℏ
𝝏𝟐 𝝍𝑰 (𝒙) 𝟐
𝟐
+ 𝒌𝑰 𝝍𝑰 (𝒙) = 𝟎
𝝏𝒙
𝟐𝒎𝑬 ℏ𝟐 𝒌𝑰𝟐 Also remember
Where 𝒌𝑰 = or 𝑬 =
ℏ𝟐 𝟐𝒎 𝒅𝟐 𝝍 𝒙 . 𝟖𝝅𝟐 𝒎
+ 𝑬−𝑽 𝝍 𝒙 =𝟎
𝒅𝒙𝟐 𝒉𝟐
ENGINEERING PHYSICS
Case II: Particle moving into a region of constant potential (Step potential)- 𝑬 < 𝑽𝒐
• Region I
Possible solution for second
• The general solution for the wave function order homogeneous diff eqn.
𝝍𝑰 = 𝑨𝒆𝒊𝒌𝑰𝒙 + 𝑩𝒆−𝒊𝒌𝑰𝒙 𝝏𝟐 𝝍𝑰 (𝒙)
𝟐
+ 𝒌𝑰𝟐 𝝍𝑰 (𝒙) = 𝟎
𝝏𝒙
• 𝑨𝒆𝒊𝒌𝑰 𝒙 → represents forward moving incident wave
• 𝑩𝒆−𝒊𝒌𝑰𝒙 ← represents backward moving reflected wave

Region I: same as case E > V0

ENGINEERING PHYSICS
Case II: Particle moving into a region of constant potential (Step potential)- 𝑬 < 𝑽𝒐

• Region II: 𝒙 > 𝟎 ; 𝑽 = 𝑽𝒐 > 𝑬 ; (𝑬 − 𝑽𝒐) 𝒊𝒔 𝒏𝒆𝒈𝒂𝒕𝒊𝒗𝒆

• The general Schrodinger’s wave equation
𝝏𝟐 𝝍𝑰𝑰 (𝒙) 𝟐𝒎 𝒅𝟐 𝝍 𝒙 . 𝟖𝝅𝟐 𝒎
𝟐
+ 𝟐 𝑬 − 𝑽 𝝍𝑰𝑰 (𝒙) = 𝟎 OR
𝒅𝒙𝟐
+
𝒉𝟐
𝑬−𝑽 𝝍 𝒙 =𝟎
𝝏𝒙 ℏ
• The SWE reduces to
𝝏𝟐 𝝍𝑰𝑰 (𝒙) 𝟐𝒎
𝟐
− 𝟐 (V0− E)𝝍𝑰𝑰 (𝒙) = 𝟎 To preserve the energy representations
𝝏𝒙 ℏ
𝝏𝟐 𝝍𝑰𝑰 (𝒙) 𝟐
𝟐
− 𝛂 𝝍𝑰𝑰 (𝒙) = 𝟎
𝝏𝒙
𝟐𝒎( 𝑽𝟎 −E) As the resultant energy is negative, propagation constant is not
Where 𝛂= represented the usual way
ℏ𝟐
ENGINEERING PHYSICS
Case II: Particle moving into a region of constant potential (Step potential)- 𝑬 < 𝑽𝒐

• The general solution for the wave function 𝝏𝟐 𝝍𝑰𝑰 (𝒙) 𝟐

− 𝛂 𝝍𝑰𝑰 (𝒙) = 𝟎
𝝏𝒙𝟐
𝝍𝑰𝑰 (𝒙) = 𝑭𝒆𝜶𝒙 + 𝑮𝒆−𝜶𝒙
• 𝝍𝑰𝑰 (𝒙) should be finite for all values of x
• Hence the first part of the equation cannot be a part
of 𝝍𝑰𝑰 (𝒙) implying 𝑭 = 𝟎
• The wave function in the region of constant
potential
𝝍𝑰𝑰 𝒙 = 𝑮𝒆−𝜶𝒙 → an exponentially decaying
function
ENGINEERING PHYSICS
Case II: Particle moving into a region of constant potential (Step potential)- 𝑬 < 𝑽𝒐
ENGINEERING PHYSICS
Particle moving into a region of constant potential - 𝑬 < 𝑽𝒐

• (𝑬 − 𝑽𝒐) is the kinetic energy of the particle which is negative –

conceptually unacceptable condition
• Implying the particle cannot be found in the region 𝒙 > 𝟎
• But, the wave function (the probability amplitude) and the
probability density 𝝍𝑰𝑰 ∗ 𝝍𝑰𝑰 are greater than zero!
• Quantum mechanically the particle may attempt to cross over to
region 𝒙 > 𝟎 with an extremely small non-zero probability

We shall see the importance of this

effect, if we consider a barrier
ENGINEERING PHYSICS
Particle moving into a region of constant potential - 𝑬 < 𝑽𝒐
INSPIRING VISUALS…..!

Nanotechnology, Nano electronics!

Nuclear physics, Super conductivity,
Material science….goes on
CLASSICALLY IMPOSSIBLE…..!
 ENGINEERING PHYSICS
Particle moving into a region of constant potential - 𝑬 < 𝑽𝒐 (Concept of penetration depth)

• The depth ∆𝒙 at which the wave function 𝝍𝑰𝑰 (𝒙) tends to

Concept of Penetration Depth
become insignificant – the penetration depth in region II

𝟏 The penetration becomes

𝝍𝑰𝑰 (𝛥𝒙) ≅ 𝝍𝑰𝑰 𝟏
insignificant beyond 𝒆 𝝍𝑰𝑰 .
𝒆
𝟏
−𝜶∆𝒙 −𝜶. 𝟏 𝟏
𝑮𝒆 = 𝑮𝒆 𝜶 = 𝑮𝒆−𝟏 To get 𝝍 , 𝐭𝐡𝐞
𝒆 𝑰𝑰
𝐯𝐚𝐥𝐮𝐞 𝐨𝐟∆𝒙 has to be 𝜶

𝟏 ℏ
∆𝒙 = = Penetration Depth
𝜶 𝟐𝒎 𝑽𝟎 − 𝑬

• The penetration depth increases as the energy of the particle Possible transmission
(penetration)
increases.
ENGINEERING PHYSICS
Particle moving into a region of constant potential - 𝑬 < 𝑽0
CONCLUSION

𝟏 ℏ
∆𝒙 = =
𝜶 𝟐𝒎 𝑽𝟎 − 𝑬

Penetration Depth
∆𝒙
ENGINEERING PHYSICS
Summarizing Case II:E<V0
ENGINEERING PHYSICS
Class #14 …….. Quiz …

The concepts true of a particle with energy 𝑬 < 𝑽𝒐 approaching

a region of constant potential …
1. The wave function gives a non zero probability in the region True
of constant potential
2. The penetration depth of the wave function is higher if the
True
energy of the particle is higher
𝟏 ℏ
∆𝒙 = =
𝜶 𝟐𝒎 𝑽𝟎 − 𝑬
Penetration Depth
 ENGINEERING PHYSICS
Class #14 …….. Numericals

1. A beam of electron of energy 1.5 eV approaches a potential

step of height 4 eV. To what depth it can penetrate into the
classically forbidden region?
𝟏 ℏ 𝒉
Penetration Depth ∆𝒙 = = =
𝜶 𝟐𝒎 𝑽𝟎 − 𝑬 𝟐π. 𝟐𝒎 𝑽𝟎 − 𝑬

𝑯𝒆𝒓𝒆, 𝒈𝒊𝒗𝒆𝒏 𝒕𝒉𝒂𝒕 𝑬 = 1.5 𝒆𝑽 𝒂𝒏𝒅 𝑽0 = 4 𝒆𝑽

𝑶𝒏 𝒔𝒖𝒃𝒔𝒕𝒊𝒕𝒖𝒕𝒊𝒐𝒏, ∆𝒙
𝟔. 𝟔𝟓𝒙𝟏𝟎−𝟑𝟒
=
𝟐𝒙𝟑. 𝟏𝟒𝒙 𝟐𝒙𝟗. 𝟏𝟏𝒙𝟏𝟎−𝟑𝟏 𝒙 𝟒 − 𝟏. 𝟓 𝒙𝟏. 𝟔𝒙𝟏𝟎−𝟏𝟗
𝑾𝑲𝑻, 1𝒆𝑽 = 1.6𝒙10−19 𝑱
= 𝟏. 𝟐𝟖𝒙𝟏𝟎−𝟏𝟎 𝒎
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Muhammad Faisal, PhD

Department of Science and Humanities
ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

• Barrier potentials of finite widths

• Matter wave incident on a barrier potential E<V0

• Solutions of the SWE

• Interpretation of the wave functions

• Probabilities of barrier penetration

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

➢Suggested Reading
1. Concepts of Modern Physics, Arthur Beiser, Chapter 5

2. Learning material unit II prepared by the Department

of Physics

➢Reference Videos

1. Video lectures : MIT 8.04 Quantum Physics I

2. Engineering Physics Class #14

 ENGINEERING PHYSICS
Barrier potential
What happens if there is a potential barrier instead of a potential step?

If E < V0 Classically forbidden but allowed in

quantum systems - QUANTUM TUNNELING
Image courtesy: slide share
ENGINEERING PHYSICS
Barrier potential
• A 1D rectangular barrier potential is defined by

Region I: 𝑽 = 𝟎 𝒇𝒐𝒓 𝒙 < 𝟎

Region II: 𝑽 = 𝑽𝒐 𝒇𝒐𝒓 𝟎 < 𝒙 < 𝑳 Width of the barrier

Region III : 𝑽 = 𝟎 𝒇𝒐𝒓 𝒙 > L

ENGINEERING PHYSICS
Barrier potential
Analysis • The general Schrodinger’s wave equation
𝝏𝟐 𝝍𝑰 (𝒙) 𝟐𝒎
Region I: 𝒙 < 𝟎 ; V = 0 + 𝟐 𝑬 − 𝑽 𝝍𝑰 (𝒙) = 𝟎 OR 𝒅𝟐 𝝍 𝒙 . 𝟖𝝅𝟐 𝒎
𝝏𝒙𝟐 ℏ + 𝑬−𝑽 𝝍 𝒙 =𝟎
𝒅𝒙𝟐 𝒉𝟐
Standard free particle solution
𝝏𝟐 𝝍𝑰 (𝒙) 𝟐𝒎
𝟐
+ 𝟐 𝑬𝝍𝑰 (𝒙) = 𝟎
𝝏𝒙 ℏ
Since, V=0
𝝏𝟐 𝝍𝑰 (𝒙)
+ 𝒌𝑰𝟐 𝝍𝑰 (𝒙) = 𝟎
𝝏𝒙𝟐
𝟐𝒎𝑬
Where 𝒌𝑰 =
ℏ𝟐
The solution is the same as
𝝍𝑰 (𝒙) = 𝑨𝒆𝒊𝒌𝑰𝒙 + 𝑩𝒆−𝒊𝒌𝑰 𝒙
Acceptable solution for second order partial diff eqn.
ENGINEERING PHYSICS
Barrier potential

Region II: 𝒙 > 0 ; 𝑽 = 𝑽𝒐 > E ; (E- 𝑽𝒐) is negative

• The SWE reduces to 𝝏𝟐 𝝍𝑰 (𝒙) 𝟐𝒎
+ 𝟐 𝑬 − 𝑽 𝝍𝑰 (𝒙) = 𝟎
𝝏𝒙𝟐 ℏ
𝝏𝟐 𝝍𝑰𝑰 (𝒙) 𝟐𝒎
𝟐
− 𝟐 (E− V0)𝝍𝑰𝑰 (𝒙) = 𝟎
𝝏𝒙 ℏ
𝝏𝟐 𝝍𝑰𝑰 (𝒙) 𝟐
𝟐
− 𝛂 𝝍𝑰𝑰 (𝒙) = 𝟎
𝝏𝒙
𝟐𝒎( 𝑽𝟎 −E)
Where 𝛂= =KII
ℏ𝟐
And the solution is
𝝍𝑰𝑰 𝒙 = 𝑫𝒆−𝜶𝒙 → an exponentially decaying function
ENGINEERING PHYSICS
Barrier potential

𝝏𝟐 𝝍𝑰 (𝒙) 𝟐𝒎
Region III: 𝒙 > L ; V = 0 𝝏𝒙𝟐
+ 𝟐 𝑬 − 𝑽 𝝍𝑰 (𝒙) = 𝟎
ℏ

Standard free particle solution

𝝏𝟐 𝝍𝑰𝑰𝑰 (𝒙) 𝟐𝒎
𝟐
+ 𝟐 𝑬𝝍𝑰𝑰𝑰 (𝒙) = 𝟎
𝝏𝒙 ℏ
𝝏𝟐 𝝍𝑰𝑰𝑰 (𝒙) 𝟐 𝝍 (𝒙) = 𝟎
+ 𝒌𝑰𝑰𝑰 𝑰𝑰𝑰
𝝏𝒙𝟐
𝟐𝒎𝑬
Where 𝒌𝑰𝑰𝑰 =
ℏ𝟐
The solution is, 𝝍𝑰𝑰𝑰 (𝒙) = 𝑮𝒆𝒊𝒌𝑰𝑰𝑰 𝒙 + 𝑭𝒆−𝒊𝒌𝑰𝑰𝑰 𝒙
𝝍𝑰𝑰𝑰 (𝒙) = 𝑮𝒆𝒊𝒌𝑰𝑰𝑰 𝒙 As there is no possible
disruption, 𝑭𝒆−𝒊𝒌𝑰𝑰𝑰 𝒙 =0
ENGINEERING PHYSICS
Barrier potential

Region I: 𝒙 < 𝟎 ; V = 0 Region III: 𝒙 < L ; V = 0

Region II: x > 0 ; 𝑽 = 𝑽𝒐 >E ; (E- 𝑽𝒐) is negative
ENGINEERING PHYSICS
Barrier potential
Transmission coefficient - T
• Continuity of wave functions and derivatives
𝝍𝑰 = 𝝍𝑰𝑰 𝒂𝒕 𝒙 = 𝟎 𝒂𝒏𝒅 𝝍𝑰𝑰 = 𝝍𝑰𝑰𝑰 𝒂𝒕 𝒙 = 𝑳

𝒅𝝍𝑰 𝒅𝝍𝑰𝑰 𝒅𝝍𝑰𝑰 𝒅𝝍𝑰𝑰𝑰

= 𝒂𝒕 𝒙 = 𝟎 𝒂𝒏𝒅 = 𝒂𝒕 𝒙 = 𝑳
𝒅𝒙 𝒅𝒙 𝒅𝒙 𝒅𝒙
𝒕𝒓𝒂𝒏𝒔𝒎𝒊𝒕𝒕𝒆𝒅 𝒇𝒍𝒖𝒙 𝑮∗ 𝑮 𝒗𝑰𝑰𝑰
• The transmission coefficient, 𝑻 = =
𝒊𝒏𝒄𝒊𝒅𝒆𝒏𝒕 𝒇𝒍𝒖𝒙 𝑨∗ 𝑨 𝒗𝑰

• 𝒌𝑰 = 𝒌𝑰𝑰𝑰

• 𝑻 is also the probability of the particles being transferred to

the third region even when E< V0

ENGINEERING PHYSICS
Barrier potential

• The transmission coefficient can be evaluated approximately as

𝑮∗ 𝑮
𝑻 = ≈ 𝒆−𝟐𝜶𝑳 𝟐𝒎( 𝑽𝟎 −E)
𝑨∗ 𝑨 KII=𝛂= ℏ𝟐

• Particles with higher energy (low value of 𝜶 ) have higher

𝒆−𝟐𝜶𝑳
transmission probability through the barrier 𝒆−𝟎.𝟓 = 𝟎. 𝟔𝟏
• The particles with higher mass (higher value of 𝜶) will have low 𝒆−𝟓 = 𝟎. 𝟎𝟎𝟔

transmission probability through the barrier

• T will be higher if 𝛂 or L is small
ENGINEERING PHYSICS
Barrier potential
• The transmission probability is higher if the penetration
depth is greater than the width of the barrier ∆𝒙 > 𝑳
• The energy of the particle in region II does not allow the
particle to be found region II
• Hence the particle is said to tunnel through the barrier!

𝑳
𝟏 ℏ
∆𝒙 ∆𝒙 = =
𝜶 𝟐𝒎 𝑽𝟎 − 𝑬
Penetration Depth
ENGINEERING PHYSICS
Summarizing Case II: Barrier tunnelling
 ENGINEERING PHYSICS
Class #15 …….. Quiz …

The concepts true of a particle with energy 𝑬 < 𝑽𝒐 approaching

a barrier potential …
1. The wave function of the particle in region II is an
exponential decay
𝟐𝒎( 𝑽𝟎 −E)
𝛂= ℏ𝟐
2. The tunnelling probability is higher if the energy of the
particle E<< 𝑽𝒐 𝑻 ≅ 𝒆−𝟐𝜶𝑳
3. The transmission co-efficient is very high if L << 𝛂
4. The momentum of the particle is the same in regions I & III
ENGINEERING PHYSICS
Class #15 Numericals

1000 protons are incident on a potential barrier of width 1 pm

and height 20 eV. If the energy of each proton is 10 eV, how
many protons are likely to be detected on the other side of the
barrier.
𝑬𝒗𝒂𝒍𝒖𝒂𝒕𝒆 𝒕𝒉𝒆 𝒕𝒖𝒏𝒏𝒆𝒍𝒊𝒏𝒈 𝒑𝒓𝒐𝒃𝒂𝒃𝒊𝒍𝒊𝒕𝒚 𝒇𝒐𝒓 𝒐𝒏𝒆 𝒑𝒓𝒐𝒕𝒐𝒏 𝒂𝒏𝒅
𝒎𝒖𝒍𝒕𝒊𝒑𝒍𝒚 𝒊𝒕 𝒘𝒊𝒕𝒉 𝒕𝒉𝒆 𝒕𝒐𝒕𝒂𝒍 𝒑𝒓𝒐𝒕𝒐𝒏𝒔

𝟐𝒎( 𝑽𝟎 −E)
Transmission(tunneling) probability 𝑻 ≅ 𝒆−𝟐𝜶𝑳 𝛂= ℏ𝟐

𝑮𝒊𝒗𝒆𝒏 𝒕𝒉𝒂𝒕, 𝑬 = 10 𝒆𝑽, 𝑽0 = 20 𝒆𝑽,

𝒘𝒊𝒅𝒕𝒉 𝒐𝒇 𝒃𝒂𝒓𝒓𝒊𝒆𝒓, 𝑳 = 1 𝒑𝒎 = 1𝒙10−12 𝒎,
𝒎𝒂𝒔𝒔 𝒐𝒇 𝒑𝒓𝒐𝒕𝒐𝒏, 𝒎𝒑𝒓𝒐𝒕𝒐𝒏 = 1.67𝒙10−27 𝒌𝒈

𝑻 ≅ 𝒆−𝟐𝜶𝑳 = 0.23 or 23%

𝑻𝒉𝒖𝒔 𝒕𝒉𝒆 𝒏𝒐. 𝒐𝒇 𝒑𝒓𝒐𝒕𝒐𝒏𝒔 𝒕𝒉𝒂𝒕 𝒂𝒕𝒓𝒆 𝒍𝒊𝒌𝒆𝒚 𝒕𝒐 𝒕𝒖𝒏𝒏𝒆𝒍 𝒘𝒊𝒍𝒍 𝒃𝒆

𝟐𝟑 % 𝒐𝒇 𝟏𝟎𝟎𝟎 = 230
ENGINEERING PHYSICS
Class #15 Numericals

A current beam 10 pico amperes (of identical electrons) is incident on a

barrier 5.0 eV high and 1 nm wide. Find the transmitted current strength if
the energy of the electrons is 4.9ev.(Ans = T=3.93% Transmitted current =
10pA *.0393 = 0.393pA)

Transmission(tunneling) probability 𝑻 ≅ 𝒆−𝟐𝜶𝑳 𝛂=

𝟐𝒎( 𝑽𝟎 −E)
ℏ𝟐
ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

• Radioactive alpha decay

• Nuclear surface potential

• Alpha decay as a case of barrier tunnelling

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

➢Suggested Reading
1. Concepts of Modern Physics, Arthur Beiser, Chapter 5

2. Learning material unit II prepared by the Department

of Physics

➢Reference Videos

1. Video lectures : MIT 8.04 Quantum Physics I

2. Engineering Physics Class #15

ENGINEERING PHYSICS
Barrier tunneling applications
Barrier tunneling is observed in many physical applications
Tunnel diode for high frequency oscillators
Flash memory devices
SQUIDs in MRI scan sensor
Electron tunneling current as an image in Atomic force
microscopes ……

https://commons.wikimedia.org/ http://hyperphysics.phy-astr.gsu.edu/
ENGINEERING PHYSICS
Radioactive alpha decay (Gamow Model for Alpha Decay)
• Alpha particles are (He nuclei with 2 protons and 2
neutrons) emitted from a radioactive nucleus with energies
of the order of 8 MeV Alpha decay as an example for
barrier tunnelling!

Energy less
than 9MeV

https://www.nuclear-power.net/
ENGINEERING PHYSICS
Radioactive alpha decay

https://www.nuclear-power.net/ alphadecay-cyberphys.

http://www.nuceng.ca/
ENGINEERING PHYSICS
Radioactive Nuclear decay
• The nuclear potential barrier at the nuclear surface
≈ 𝟐𝟎 − 𝟑𝟎 𝑴𝒆𝑽
• The alpha particle emission with energy < 9MeV from the
nucleus overcoming a potential barrier of 20-30 MeV
….. A case of barrier tunnelling! QUANTUM MECHANICS IN ACTION!

Concept of barrier tunnelling Image courtesy: hyperphysics

ENGINEERING PHYSICS
Radioactive alpha decay
An alternate way of looking at the potential barrier:
• To slice the barriers into n equal widths say ∆𝒓 but of varying heights
• The transmission coefficients of each of the slices are estimated as
T1,T2,T3………..Tn with a constant E and a variable V
• The effective tunnelling probability 𝑻𝒆𝒇𝒇 = 𝑻𝟏 × 𝑻𝟐 × 𝑻𝟑 × ⋯ × 𝑻𝒏

alpha particle (wave) after

tunnelling: the amplitude of the
wave is reduced – reduced
probability, but not energy!
ENGINEERING PHYSICS
Josephson junction

Fabrication of a Josephson junction, involves creating a weak

link between superconductors where an insulating layer is the
weak-link.

The insulator is a thin potential barrier which only allows electrons

to tunnel through quantum mechanically.

Josephson junctions are good candidates for the construction

of quantum bits (qubits) for a quantum computer

Cooper pairs can tunnel through the insulating layer and couple the
superconducting wave functions on either side of the barrier.

quantum tunneling through the Josephson junction results in two new quantum states, one is a
symmetric superposition, |0〉+|1〉, whereas the other is an antisymmetric superposition, |0〉−|1〉
These new quantum states differ in energy, and these
superposition states form the basis of the “charge qubit.”
ENGINEERING PHYSICS
Class #16 …….. Quiz …

Radioactive alpha decay ………

1. The decaying coulomb potential can be divided into a series
of rectangular potentials of small width ∆𝒓
2. The transmission co-efficient can be estimated as the
product of the transmission coefficients of the individual
rectangular potentials.
3. Barrier tunnelling explains all alpha decay problems with
high accuracy
ENGINEERING PHYSICS
Class #16 …….. Conceptual questions

In radio activity alpha particle emission is explained in terms of

quantum tunnelling. Justify.

Discuss how alpha particle decay was explained by Gamow’s

tunnelling model.
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

▪ Bound Particles

▪ 1D Infinite Potential well

▪ Solution of the Schrödinger Wave equation

▪ Characteristics of Wave function

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

▪ Suggested Reading

1. Concepts of Modern Physics, Arthur Beiser, Unit-5

2. Learning Materials Prepared by Department of Physics

▪ Reference Videos

1. Video Lecture : MIT 8.04 Quantum Physics-1

2. Engineering Physics Class : #12-14

 ENGINEERING PHYSICS
Particle in an 1 D infinite symmetric potential well : To understand the problem
▪ A particle restricted to move in a small region of space with zero
potential – a bound particle system
Termed as particle in a box problem

▪ An infinite potential (wall) existing at the boundaries at𝒙 =

𝒂 𝒂 𝒂 Width of the well: ‘a’
± 𝒊. 𝒆 𝒙 = − 𝒕𝒐 𝒙 = + − 𝑺𝒚𝒎𝒎𝒆𝒕𝒓𝒊𝒄 𝒑𝒐𝒕𝒆𝒏𝒕𝒊𝒂𝒍 𝒘𝒆𝒍𝒍 (𝒃𝒐𝒙)
𝟐 𝟐 𝟐
▪ The particle (mass m) and energy E is in motion between
𝒂
𝒙=± 𝑽=∞ 𝑽=∞
𝟐
Associated Potential
𝒂 𝒂 Free to move within
𝑽 = 𝟎 𝒇𝒐𝒓 − < 𝒙 <= + the well
𝟐 𝟐
𝒂
𝑽 = ∞ 𝒂𝒕 𝒙 = ± Infinite potential wall
𝟐 mass m
Particle has zero probability of 𝑽=𝟎
Impossible due to infinite
being outside the bound region potential wall (outside
𝒂 𝒂 𝒂 𝒂
(𝒃𝒆𝒚𝒐𝒏𝒅 𝒙 = − 𝟐 𝒂𝒏𝒅 𝒙 = + 𝟐) quantum region of interest) 𝒙=− 𝒙 𝒙=+
𝟐 𝟐
 ENGINEERING PHYSICS
1 D Infinite Potential Well – Particle in symmetric 1D box : Analysis

The Schrodinger wave equation:

𝝏𝟐 𝝍(𝒙) 𝟐𝒎 𝒅𝟐 𝝍 𝒙 . 𝟖𝝅𝟐 𝒎
+ 𝑬 − 𝑽 𝝍 = 𝟎 or + 𝑬−𝑽 𝝍 𝒙 =𝟎
𝟐 𝟐 𝒅𝒙 𝟐 𝒉 𝟐
𝝏𝒙 ℏ
𝒂 𝒂 Particle has zero probability of
No analysis 𝒃𝒆𝒚𝒐𝒏𝒅 𝒙 = − and 𝒙 = + , 𝒂𝒔 𝝍 = 𝟎
𝟐 𝟐 being outside the bound region
(particle cannot exist – outside the region of interest) (𝒃𝒆𝒚𝒐𝒏𝒅 𝒙 = 𝟎 𝒂𝒏𝒅 𝒙 = 𝒂)
To analyze the wave equation for the valid region
𝒂 𝒂
between𝒙 = − 𝒕𝒐 𝒙 == + (the region of interest)
𝟐 𝟐

The Schrodinger time independent wave equation

inside the well (with V=0)

𝒅𝟐 𝝍 𝒙 . 𝟐𝒎 𝒅𝟐 𝝍 𝒙 . 𝟖𝝅𝟐 𝒎
+ 𝟐 𝑬−𝟎 𝝍 𝒙 =𝟎 + 𝑬−𝟎 𝝍 𝒙 =𝟎
𝒅𝒙𝟐 ℏ 𝒅𝒙 𝟐 𝒉 𝟐
 ENGINEERING PHYSICS
1 D Infinite Potential Well – Particle in 1D box : symmetric case Analysis – wave function (Solution)

▪ The Schrodinger wave equation for inside the well, between𝒙 = − 𝒂 𝒕𝒐 𝒙 = + 𝒂

𝟐 𝟐

𝒅𝟐 𝝍 𝒙 . 𝟐𝒎 The region of interest

+ 𝟐 𝑬−𝟎 𝝍 𝒙 =𝟎
𝒅𝒙𝟐 ℏ

𝒅𝟐 𝝍 𝒙 𝟐𝝍 = 𝟎 𝟐 = 𝟐𝒎𝑬 or 𝒌 = 𝟐𝒎𝑬
+ 𝒌 Where 𝒌 is the propagation constant
𝒅𝒙𝟐 ℏ𝟐 ℏ𝟐

▪ The general solution could be written as

𝝍 𝒙 = 𝑨𝒔𝒊𝒏 𝒌𝒙 + 𝑩𝒄𝒐𝒔(𝒌𝒙)
Valid solutions of homogeneous 2nd order diff. eqns.
(similar to 𝝍 = 𝑨𝒆𝒊𝒌𝑰 𝒙 + 𝑩𝒆−𝒊𝒌𝑰 𝒙 )
The energy of the particle in terms of propagation constant,
ℏ𝟐 𝒌𝟐
𝑬=
𝟐𝒎
 ENGINEERING PHYSICS
1 D Infinite Potential Well – Particle in symmetric 1D box : Analysis -Boundary condition

▪ The boundary conditions for the problem: To understand and analyze

𝐚 𝐚 the boundary conditions
𝝍 = 𝟎, 𝒅𝝍 = 𝟎 at 𝒙 = − 𝐚𝐧𝐝 𝒙 = +
𝟐 𝟐

Also, the wave function 𝝍 has to normalisable

𝐚
First boundary - At 𝒙 = −
𝟐
𝐚 𝐚 𝐚
𝝍 𝒙=− = 𝑨𝒔𝒊𝒏 −𝒌 + 𝑩𝒄𝒐𝒔 −𝒌 =𝟎 WKT cos(-x) = cos (x)
𝟐 𝟐 𝟐
𝐚 𝐚
This gives, −𝑨𝒔𝒊𝒏 𝒌 + 𝑩𝒄𝒐𝒔 𝒌 =𝟎 [1]
𝟐 𝟐
𝐚
Second boundary - At 𝒙 =
𝟐
𝐚 𝐚 𝐚
𝝍 𝒙= = 𝑨𝒔𝒊𝒏 𝒌 + 𝑩𝒄𝒐𝒔 𝒌 =𝟎
𝟐 𝟐 𝟐
𝐚 𝐚
This gives, 𝑨𝒔𝒊𝒏 𝒌 + 𝑩𝒄𝒐𝒔 𝒌 =𝟎 [2]
𝟐 𝟐
 ENGINEERING PHYSICS
1 D Infinite Potential Well – Particle in symmetric 1D box : Analysis -Boundary condition
𝐚 𝐚
𝒂𝒇𝒕𝒆𝒓 𝟏𝒔𝒕 𝒃𝒐𝒖𝒏𝒅𝒂𝒓𝒚 𝒄𝒐𝒏𝒅𝒊𝒕𝒊𝒐𝒏 − 𝑨𝒔𝒊𝒏 𝒌 𝟐 + 𝑩𝒄𝒐𝒔 𝒌 𝟐 = 𝟎 [1]
𝐚 𝐚
𝒂𝒇𝒕𝒆𝒓 𝟐𝒏𝒅 𝑩𝒐𝒖𝒏𝒅𝒂𝒓𝒚 𝒄𝒐𝒏𝒅𝒊𝒕𝒊𝒐𝒏: 𝑨𝒔𝒊𝒏 𝒌 𝟐 + 𝑩𝒄𝒐𝒔 𝒌 𝟐 = 𝟎 [2]

▪ [1] and [2] indicate the two distinct possibilities Both sin (kx) and cos (kx) are
either 𝑨 = 𝟎 𝒊𝒇 𝑩 ≠ 𝟎 or 𝑩 = 𝟎 𝒊𝒇 𝐴 ≠ 𝟎 acceptable but for distinct values of n,
▪ If 𝑨 = 𝟎 𝒕𝒉𝒆𝒏 𝑩 ≠ 𝟎 foe odd values cos is acceptable and
for even values sin is acceptable
𝐚 𝐚 𝞹
[1] leads to 𝑩𝒄𝒐𝒔 𝒌 =𝟎 - considering 𝒌 = 𝒏
𝟐 𝟐 𝟐
𝞹
𝞹 𝒌=𝒏
where n is an odd number n=1, 3, 5…, 𝒌 = 𝒏𝒐𝒅𝒅 𝒂
𝒂
▪ If 𝑨 ≠ 𝟎 𝒊𝒇 𝑩 = 𝟎
𝐚 𝐚 𝞹
[2] leads to 𝑨𝒔𝒊𝒏 𝒌 =𝟎 - considering 𝒌 = 𝒏
𝟐 𝟐 𝟐

𝞹
where n is an even number n=2, 4, 6…, 𝒌 = 𝒏𝒆𝒗𝒆𝒏
𝒂
 ENGINEERING PHYSICS
1 D Infinite Potential Well – Particle in symmetric 1D box : Analysis - solution

▪ Thus the general solution is

𝞹
𝝍𝒏 𝒙 = 𝑩𝒄𝒐𝒔 𝒌𝒙 = 𝑩𝒄𝒐𝒔 𝒏 𝒙 for n odd
𝒂

and
𝞹
𝝍𝒏 𝒙 = 𝑨𝒔𝒊𝒏 𝒌𝒙 = 𝑩𝒔𝒊𝒏 𝒏 𝒙 for n even
𝒂

n = 1, 2, 3, 4, 5, 6…… correspond to the allowed wave

functions of the particle

n describes the state of the system

 ENGINEERING PHYSICS
1 D Infinite Potential Well – Particle in symmetric 1D box : Analysis – Normalization

▪ The constant A and B can be evaluated by normalizing the

wave function i.e…,
𝐚 𝐚
▪ Integrating the wave function between the limits − 𝒕𝒐 +
𝟐 𝟐

‫( 𝟏 = 𝒙𝒅 ∗𝝍𝝍 ׬‬the normalization condition)

𝒂ൗ 𝟐 𝒂ൗ𝟐
𝟐 𝒏𝞹 𝟐
𝑨 𝟐𝒏𝞹
න [𝑨𝒔𝒊𝒏( 𝒙)] 𝒅𝒙 = න 𝟏 − 𝒄𝒐𝒔 𝒙 𝒅𝒙
−𝒂ൗ 𝒂 𝟐 −𝒂ൗ 𝒂
𝟐 𝟐
𝒂Τ 𝟐𝒏𝞹 𝟐𝒏𝞹 𝟐𝒏𝞹
𝟐
‫׬‬ −𝒄𝒐𝒔 𝒙 𝒅𝒙 = 𝒔𝒊𝒏 𝒙 / = 0
𝑨𝟐 𝟐 −𝒂Τ
𝟐 𝒂 𝒂 𝒂
𝒂−𝟎 =𝟏 ⟹𝐀=
𝟐 𝐚
In a very similar way the second wave function can be
𝟐 1 − 𝒄𝒐𝒔2𝒙 1 + 𝒄𝒐𝒔2𝒙
normalized to get 𝐁 = 𝑾𝑲𝑻, 𝒔𝒊𝒏2 𝒙 = & 𝒄𝒐𝒔2 𝒙 =
𝐚 2 2
 ENGINEERING PHYSICS
1 D Infinite Potential Well – Particle in symmetric 1D box : Analysis – Normalization

▪ The constant A and B can be evaluated by normalizing the

wave function i.e…,
𝐚 𝐚
▪ Integrating the wave function between the limits − 𝒕𝒐 +
𝟐 𝟐

‫( 𝟏 = 𝒙𝒅 ∗𝝍𝝍 ׬‬the normalization condition)

𝒂ൗ 𝟐 𝒂ൗ𝟐
𝟐 𝒏𝞹 𝟐
𝑩 𝟐𝒏𝞹
න [𝑩𝒄𝒐𝒔( 𝒙)] 𝒅𝒙 = න 𝟏 + 𝒄𝒐𝒔 𝒙 𝒅𝒙
−𝒂ൗ 𝒂 𝟐 −𝒂ൗ 𝒂
𝟐 𝟐
𝒂Τ 𝟐𝒏𝞹 𝟐𝒏𝞹 𝟐𝒏𝞹
𝟐
‫׬‬ 𝒄𝒐𝒔 𝒙 𝒅𝒙 = 𝒔𝒊𝒏 𝒙 / = 0
𝑩𝟐 𝟐 −𝒂Τ
𝟐 𝒂 𝒂 𝒂
𝒂−𝟎 =𝟏 ⟹𝐁=
𝟐 𝐚
In a very similar way the second wave function can be
𝟐 1 − 𝒄𝒐𝒔2𝒙 1 + 𝒄𝒐𝒔2𝒙
normalized to get 𝐁 = 𝑾𝑲𝑻, 𝒔𝒊𝒏2 𝒙 = & 𝒄𝒐𝒔2 𝒙 =
𝐚 2 2
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger’s wave equation
▪ The eigen wave function becomes
𝟐 𝒏𝞹
𝝍𝒏 𝒙 = 𝒄𝒐𝒔 𝒙 for n odd (even parity)
𝐚 𝒂
𝟐 𝒏𝞹
𝝍𝒏 𝒙 = 𝒔𝒊𝒏 𝒙 for n even (odd parity)
𝐚 𝒂
𝟐𝒎𝑬 𝒏𝞹
▪ The propagation constant 𝒌 = = is quantized
ℏ𝟐 𝒂
and hence momentum and energy of the particle are also
quantized.
𝒏𝞹 Parity- property of wave function in terms of coordinate sign
𝑷𝒏 = ℏ𝒌 = ℏ
𝒂 𝑰𝒇 𝝍 −𝒙 = 𝝍 𝒙 𝒕𝒉𝒆𝒏 𝒕𝒉𝒆 𝒇𝒖𝒏𝒄𝒕𝒊𝒐𝒏 𝒉𝒂𝒔 𝒂𝒏 𝒆𝒗𝒆𝒏 𝒑𝒂𝒓𝒊𝒕𝒚 𝒂𝒏𝒅

ℏ𝟐 𝒌𝟐 𝒏𝟐 ℏ𝟐 𝝅𝟐 𝒏𝟐 𝒉𝟐 𝑰𝒇 𝝍 −𝒙 = −𝝍 𝒙 𝒕𝒉𝒆𝒏 𝒕𝒉𝒆 𝒇𝒖𝒏𝒄𝒕𝒊𝒐𝒏 𝒉𝒂𝒔 𝒂𝒏 𝒐𝒅𝒅 𝒑𝒂𝒓𝒊𝒕𝒚

𝑬= = =
𝟐𝒎 𝟐𝒎𝒂𝟐 𝟖𝒎𝒂𝟐

This gives the energy eigen values of the bound particle

ENGINEERING PHYSICS
Class #17……. Quiz……

The concepts which are true of a particle in a box…

▪ Particle in a box is an example of bound particle system True

False, n is even so odd

▪ The Eigen function of the particle in the second state is even
parity
parity function
𝞹
𝒌=𝒏
▪ Propagation constant determined by the width of the box True 𝒂
ℏ𝟐 𝒌𝟐 𝒏𝟐 ℏ𝟐 𝝅𝟐 𝒏𝟐 𝒉𝟐
▪ The energy of the particle in the ground state is non zero True 𝑬=
𝟐𝒎
=
𝟐𝒎𝒂𝟐
=
𝟖𝒎𝒂𝟐

▪ The particle can have any momentum inside the box True 𝒏𝞹
𝑷𝒏 = ℏ𝒌 = ℏ
𝒂
▪ The de Broglie wave length depends on the size of the box True
ENGINEERING PHYSICS
Class #17……. Numericals

What is the minimum energy of an electron trapped in a one

dimensional region of the size of an atomic nucleus?

size of an atomic nucleus = 10-14 m

Minimum energy = Lowest energy= Ground state energy= energy of the first
state= energy of the first allowed quantum state= energy when n=1
ℏ𝟐 𝒌𝟐 𝒏𝟐 ℏ𝟐 𝝅𝟐 𝒏𝟐 𝒉𝟐
𝑬= = =
𝟐𝒎 𝟐𝒎𝒂𝟐 𝟖𝒎𝒂𝟐

𝒉𝟐
𝑬=𝑬 𝒏=𝟏 =
𝟖𝒎𝒂𝟐

6.63𝒙10−34 𝒙6.63𝒙10−34
𝑮𝒓𝒐𝒖𝒏𝒅 𝒔𝒕𝒂𝒕𝒆 𝒆𝒏𝒆𝒓𝒈𝒚 =
8𝒙9.11𝒙10−31 𝒙10−14 𝒙10−14
−10
6.04𝒙10−10
= 6.04𝒙10 𝑱 = 𝒆𝑽 = 3.77 𝑮𝒆𝑽
1.6𝒙10−19
ENGINEERING PHYSICS
Class #17……. Numericals

Evaluate the lowest excited state energy for an electron in 1D

box of 0.1 nm width

Width, a = 0.1 nm = 0.1 x 10-9 m

Lowest excited state = First excited state, when n = 2
ℏ𝟐 𝒌𝟐 𝒏𝟐 ℏ𝟐 𝝅𝟐 𝒏𝟐 𝒉𝟐
𝑬= = =
𝟐𝒎 𝟐𝒎𝒂𝟐 𝟖𝒎𝒂𝟐

𝟒 𝒉𝟐
𝑬=𝑬 𝒏=𝟐 = = 2.41 x 10-17J = 150.8 eV
𝟖𝒎𝒂𝟐
ENGINEERING PHYSICS
Class #17……. Numericals

An electron moving in a one dimensional potential of width 8 Ao

and depth 12 eV. Find the number of bound states present.

Width, a = 8 Ao = 8 x 10-10 m
Number of bound states means to evaluate the value of ‘n’
ℏ𝟐 𝒌𝟐 𝒏𝟐 ℏ𝟐 𝝅𝟐 𝒏𝟐 𝒉𝟐
𝑬= = =
𝟐𝒎 𝟐𝒎𝒂𝟐 𝟖𝒎𝒂𝟐
2
𝑬𝒏 8. 𝒎. 𝒂
𝒏2 =
𝒉2
𝑬𝒏 𝟖.𝒎.𝒂𝟐 𝟏𝟐𝒙𝟏.𝟔𝒙𝟏𝟎−𝟏𝟗 𝒙𝟖𝒙𝟗.𝟏𝟏𝒙𝟏𝟎−𝟑𝟏 𝒙𝟖𝒙𝟏𝟎−𝟏𝟎 𝒙𝟖𝒙𝟏𝟎−𝟏𝟎
𝒏𝟐 = = =20.3
𝒉𝟐 𝟔.𝟔𝟑𝒙𝟏𝟎−𝟑𝟒 𝒙𝟔.𝟔𝟑𝒙𝟏𝟎−𝟑𝟒

𝑻𝒉𝒖𝒔, 𝒏 = 20 = 4
ENGINEERING PHYSICS
Class #17……. Conceptual questions

Explain why ground state energy of a free particle in a 1-D

potential box cant be zero and a free particle is a classical entity
A free particle in a box is a bound system

A free particle is not bound system

 ENGINEERING PHYSICS
Class #17……. Conceptual questions

The wave function for a particle is given as, 𝝍 𝒙 = 𝑨𝒔𝒊𝒏 𝒌𝒙 + 𝑩𝒄𝒐𝒔(𝒌𝒙) .

Show that it is a solution to the Schrodinger equation with V(x)=0 and find the
eigen energy.
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

Class #18

▪ Eigen values and Eigen functions of a particle in 1 D box

▪ Graphical representation of the wave function and

Probability density

▪ Interpretation of the Probability density

ENGINEERING PHYSICS
Quantum Mechanics To Simple System

▪ Suggested Reading

1. Concepts of Modern Physics, Arthur Beiser, Unit-5

2. Learning Materials Prepared by Department of Physics

▪ Reference Videos

1. Video Lecture : MIT 8.04 Quantum Physics-1

2. Engineering Physics Class : #12-14

ENGINEERING PHYSICS
Particle in an 1 D infinite potential well (bound particle) : Termed as particle in a box problem
The Schrodinger wave equation:
Symmetric well
𝝏𝟐 𝝍(𝒙) 𝟐𝒎
+ 𝟐 𝑬−𝑽 𝝍=𝟎
𝝏𝒙𝟐 ℏ

𝒅𝟐 𝝍 𝒙 𝟐𝝍 = 𝟎
+ 𝒌
𝒅𝒙𝟐

General solution
𝝍 𝒙 = 𝑨𝒔𝒊𝒏 𝒌𝒙 + 𝑩𝒄𝒐𝒔(𝒌𝒙)

𝟐
𝐀=𝐁= 𝞹
𝞹 𝐚 𝝍𝒏 𝒙 = 𝑩𝒄𝒐𝒔 𝒏 𝒂 𝒙 for n odd (even parity)
𝒌=𝒏
𝒂
𝒏𝞹 𝞹
𝒏 = 𝟏, 𝟐, 𝟑, 𝟒 … . 𝑷𝒏 = ℏ𝒌 = ℏ 𝝍𝒏 𝒙 = 𝑨𝒔𝒊𝒏 𝒏 𝒂 𝒙 for n even (odd parity)
𝒂
ℏ𝟐 𝒌𝟐 𝒏𝟐 ℏ𝟐 𝝅𝟐 𝒏𝟐 𝒉𝟐
𝑬𝒊𝒈𝒆𝒏 𝒆𝒏𝒆𝒓𝒈𝒚, 𝑬 = = =
𝟐𝒎 𝟐𝒎𝒂𝟐 𝟖𝒎𝒂𝟐
𝟐
𝑷𝒓𝒐𝒃𝒂𝒃𝒊𝒍𝒊𝒕𝒚 𝝍𝟏 𝒙
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of eigen function and eigen energy values

▪ The Eigen function of the particle in a box

𝟐 𝒏𝞹
𝝍𝒏 𝒙 = 𝒄𝒐𝒔 𝒙 for n odd (Even parity)
𝐚 𝒂
𝟐 𝒏𝞹
𝝍𝒏 𝒙 = 𝒔𝒊𝒏 𝒙 for n even (odd parity)
𝐚 𝒂

▪ The energy eigen value of the particle in a box

ℏ𝟐 𝐤 𝟐 𝐧𝟐 ℏ𝟐 𝛑𝟐 𝐧𝟐 𝐡𝟐
𝐄= = =
𝟐𝐦 𝟐𝐦𝐚𝟐 𝟖𝐦𝐚𝟐

▪ n=1 corresponding to the lowest energy state which is the

ground state of the system
𝐡𝟐
𝑬𝟏 = = 𝑬𝟎
𝟖𝐦𝐚𝟐
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of eigen function and eigen energy values

▪ n=1 corresponding to the lowest energy state which is the

ground state of the system
𝟏𝟐 𝐡𝟐 Energy
𝑬𝟏 = 𝟐
= 𝑬𝟎
𝟖𝐦𝐚
▪ n=2 corresponds to the first excited state energy 𝟑𝟐 𝐡𝟐
𝟐𝟐 𝐡𝟐 𝑬𝟑 =
𝟖𝐦𝐚𝟐
= 𝟗𝑬𝟏
𝑬𝟐 = 𝟐
= 𝟒𝑬𝟏
𝟖𝐦𝐚
▪ n=3 corresponds to the second excited state energy
𝟐𝟐 𝐡𝟐
𝟑𝟐 𝐡𝟐 𝑬𝟐 =
𝟖𝐦𝐚𝟐
= 𝟒𝑬𝟏
𝑬𝟑 = 𝟐
= 𝟗𝑬𝟏
𝟖𝐦𝐚
𝟏𝟐 𝐡𝟐
▪ n=4 corresponds to the third excited state energy 𝑬𝟏 = = 𝑬𝟎
𝟖𝐦𝐚𝟐
𝟒𝟐 𝐡𝟐
𝑬𝟒 = 𝟐
= 𝟏𝟔𝑬𝟏
𝟖𝐦𝐚
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of eigen function and eigen energy values

▪ Graphical representation of the eigen function of the

particle in a box in the first four states 𝟐 𝞹
𝝍𝒏 𝒙 = 𝒄𝒐𝒔 𝒏 𝒂 𝒙 for n odd
𝐚
Asymmetric well 𝟐 𝞹 Symmetric well
𝝍𝒏 𝒙 = 𝐚
𝒔𝒊𝒏 𝒏𝒂𝒙
𝟐 𝞹
𝝍𝒏 𝒙 = 𝒔𝒊𝒏 𝒏 𝒂 𝒙 for n even
𝐚

𝐚
𝟎 𝒂
𝟐
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of eigen function and eigen energy values

▪ The Eigen function of the particle in the first four state of the
box
𝟐 𝞹
𝝍𝟏 𝒙 = 𝒄𝒐𝒔 𝒙 n=1 (Even parity, for odd ‘n’)
𝐚 𝒂
𝟐 𝟐𝞹
𝝍𝟐 𝒙 = 𝒔𝒊𝒏 𝒙 n=2 (odd parity, for even ‘n’)
𝐚 𝒂
𝟐 𝟑𝞹
𝝍𝟑 𝒙 = 𝒄𝒐𝒔 𝒙 n=3 (Even parity)
𝐚 𝒂
𝟐 𝟒𝞹
𝝍𝟒 𝒙 = 𝒔𝒊𝒏 𝒙 n=4 (odd parity)
𝐚 𝒂

Parity- property of wave function in terms of coordinate sign

𝑰𝒇 𝝍 −𝒙 = 𝝍 𝒙 𝒕𝒉𝒆𝒏 𝒕𝒉𝒆 𝒇𝒖𝒏𝒄𝒕𝒊𝒐𝒏 𝒉𝒂𝒔 𝒂𝒏 𝒆𝒗𝒆𝒏 𝒑𝒂𝒓𝒊𝒕𝒚 𝒂𝒏𝒅
𝑰𝒇 𝝍 −𝒙 = −𝝍 𝒙 𝒕𝒉𝒆𝒏 𝒕𝒉𝒆 𝒇𝒖𝒏𝒄𝒕𝒊𝒐𝒏 𝒉𝒂𝒔 𝒂𝒏 𝒐𝒅𝒅 𝒑𝒂𝒓𝒊𝒕𝒚 𝑯𝒐𝒘 𝒕𝒐 𝒓𝒆𝒑𝒓𝒆𝒔𝒆𝒏𝒕 𝒃𝒆𝒕𝒘𝒆𝒆𝒏 𝟎 𝒕𝒐 𝒂 𝒄𝒂𝒔𝒆?
ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of Probability density

The probability density functions of the particle in box in the

first four states can be written as
𝟐 𝟏𝝅 WKT, The integral  , the probability in the range where the
𝟐
𝝍𝟏 𝒙 = 𝒄𝒐𝒔 𝟐 𝒙 𝒏 = 𝟏 function is defined (normalization condition)
𝒂 𝒂

𝟐
𝟐 𝟐
𝟐𝝅
𝝍𝟐 𝒙 = 𝒔𝒊𝒏 𝒙 𝒏=𝟐
𝒂 𝒂

𝟐
𝟐 𝟐
𝟑𝝅
𝝍𝟑 𝒙 = 𝒄𝒐𝒔 𝒙 𝒏=𝟑
𝒂 𝒂
𝟐
𝟐 𝟐
𝟒𝝅
𝝍𝟒 𝒙 = 𝒔𝒊𝒏 𝒙 𝒏=𝟒
𝒂 𝒂
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of Probability density

▪ Probability density function of the particle in a box in the

first four states

Area under the curve – probability reduces as the energy state

increases in the order of 1/n
ENGINEERING PHYSICS
Test your understanding (Answer True/False)

▪ The energy of the particle in 1D box are equally spaced

▪ The probability amplitude of the particle in the n=3 at the

center of the box is high

▪ The probability of finding the particle at x=0 in the 3rd

excited state is zero

▪ For large values of n the probability density is more or less

a constant

▪ The energy required by a particle in the ground state to be

excited to the state n=4 is 𝟒𝐄𝟎
 ENGINEERING PHYSICS
Class #19……. Numericals

Evaluate the probability of locating a particle trapped in an

infinite potential well between the limits L/4 and 3L/4 assuming
that the particle is in the 3rd excited state and the well is defined
between 0 to L.
‫( 𝒙𝒅 ∗𝝍𝝍 ׬‬Probability)

𝟑𝑳ൗ 𝟑𝑳ൗ
𝟒 𝟐 𝟒𝞹 𝟐
𝟐 𝟒 𝟐 ∗ 𝟒𝞹
න [ 𝒔𝒊𝒏( 𝒙)] 𝒅𝒙 = න 𝟏 − 𝒄𝒐𝒔 𝒙 𝒅𝒙
𝑳ൗ 𝑳 𝑳 𝟐𝑳 𝑳ൗ 𝑳
𝟒 𝟒

Simplification gives, probability = 0.5

We can do it both graphically and with eqn!

(graph 4 humps with area 0.25)
 ENGINEERING PHYSICS
Class #19……. Numericals

Show that the probability of finding the particle in an infinite

potential well of width L in the nth state in an interval L/n
(between 0 to L/n) is 1/n.

‫( 𝒙𝒅 ∗𝝍𝝍 ׬‬Probability)

𝑳ൗ 𝑳ൗ𝒏
𝒏 𝟐 𝒏𝞹 𝟐
𝟐 𝟐 ∗ 𝒏𝞹
න [ 𝒔𝒊𝒏( 𝒙)] 𝒅𝒙 = න 𝟏 − 𝒄𝒐𝒔 𝒙 𝒅𝒙
𝟎 𝑳 𝑳 𝟐𝑳 𝟎 𝑳

Simplification gives, probability = 1/n

THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical systems

Class #18

▪ Eigen values and Eigen functions of a particle in 1 D box

▪ Graphical representation of the wave function and

Probability density

▪ Interpretation of the Probability density

ENGINEERING PHYSICS
Quantum Mechanics To Simple System

▪ Suggested Reading

1. Concepts of Modern Physics, Arthur Beiser, Unit-5

2. Learning Materials Prepared by Department of Physics

▪ Reference Videos

1. Video Lecture : MIT 8.04 Quantum Physics-1

2. Engineering Physics Class : #12-14

ENGINEERING PHYSICS
Particle in an 1 D infinite potential well (bound particle) : Termed as particle in a box problem
The Schrodinger wave equation:
Symmetric well
𝝏𝟐 𝝍(𝒙) 𝟐𝒎
+ 𝟐 𝑬−𝑽 𝝍=𝟎
𝝏𝒙𝟐 ℏ

𝒅𝟐 𝝍 𝒙 𝟐𝝍 = 𝟎
+ 𝒌
𝒅𝒙𝟐

General solution
𝝍 𝒙 = 𝑨𝒔𝒊𝒏 𝒌𝒙 + 𝑩𝒄𝒐𝒔(𝒌𝒙)

𝟐
𝐀=𝐁= 𝞹
𝞹 𝐚 𝝍𝒏 𝒙 = 𝑩𝒄𝒐𝒔 𝒏 𝒂 𝒙 for n odd (even parity)
𝒌=𝒏
𝒂
𝒏𝞹 𝞹
𝒏 = 𝟏, 𝟐, 𝟑, 𝟒 … . 𝑷𝒏 = ℏ𝒌 = ℏ 𝝍𝒏 𝒙 = 𝑨𝒔𝒊𝒏 𝒏 𝒂 𝒙 for n even (odd parity)
𝒂
ℏ𝟐 𝒌𝟐 𝒏𝟐 ℏ𝟐 𝝅𝟐 𝒏𝟐 𝒉𝟐
𝑬𝒊𝒈𝒆𝒏 𝒆𝒏𝒆𝒓𝒈𝒚, 𝑬 = = =
𝟐𝒎 𝟐𝒎𝒂𝟐 𝟖𝒎𝒂𝟐
𝟐
𝑷𝒓𝒐𝒃𝒂𝒃𝒊𝒍𝒊𝒕𝒚 𝝍𝟏 𝒙
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of eigen function and eigen energy values

▪ The Eigen function of the particle in a box

𝟐 𝒏𝞹
𝝍𝒏 𝒙 = 𝒄𝒐𝒔 𝒙 for n odd (Even parity)
𝐚 𝒂
𝟐 𝒏𝞹
𝝍𝒏 𝒙 = 𝒔𝒊𝒏 𝒙 for n even (odd parity)
𝐚 𝒂

▪ The energy eigen value of the particle in a box

ℏ𝟐 𝐤 𝟐 𝐧𝟐 ℏ𝟐 𝛑𝟐 𝐧𝟐 𝐡𝟐
𝐄= = =
𝟐𝐦 𝟐𝐦𝐚𝟐 𝟖𝐦𝐚𝟐

▪ n=1 corresponding to the lowest energy state which is the

ground state of the system
𝐡𝟐
𝑬𝟏 = = 𝑬𝟎
𝟖𝐦𝐚𝟐
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of eigen function and eigen energy values

▪ n=1 corresponding to the lowest energy state which is the

ground state of the system
𝟏𝟐 𝐡𝟐 Energy
𝑬𝟏 = 𝟐
= 𝑬𝟎
𝟖𝐦𝐚
▪ n=2 corresponds to the first excited state energy 𝟑𝟐 𝐡𝟐
𝟐𝟐 𝐡𝟐 𝑬𝟑 =
𝟖𝐦𝐚𝟐
= 𝟗𝑬𝟏
𝑬𝟐 = 𝟐
= 𝟒𝑬𝟏
𝟖𝐦𝐚
▪ n=3 corresponds to the second excited state energy
𝟐𝟐 𝐡𝟐
𝟑𝟐 𝐡𝟐 𝑬𝟐 =
𝟖𝐦𝐚𝟐
= 𝟒𝑬𝟏
𝑬𝟑 = 𝟐
= 𝟗𝑬𝟏
𝟖𝐦𝐚
𝟏𝟐 𝐡𝟐
▪ n=4 corresponds to the third excited state energy 𝑬𝟏 = = 𝑬𝟎
𝟖𝐦𝐚𝟐
𝟒𝟐 𝐡𝟐
𝑬𝟒 = 𝟐
= 𝟏𝟔𝑬𝟏
𝟖𝐦𝐚
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of eigen function and eigen energy values

▪ Graphical representation of the eigen function of the

particle in a box in the first four states 𝟐 𝞹
𝝍𝒏 𝒙 = 𝒄𝒐𝒔 𝒏 𝒂 𝒙 for n odd
𝐚
Asymmetric well Symmetric well
𝟐 𝞹
𝝍𝒏 𝒙 = 𝒔𝒊𝒏 𝒏 𝒂 𝒙 for n even
𝐚

𝐚
𝟎 𝒂
𝟐
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of eigen function and eigen energy values

▪ The Eigen function of the particle in the first four state of the
box
𝟐 𝞹
𝝍𝟏 𝒙 = 𝒄𝒐𝒔 𝒙 n=1 (Even parity, for odd ‘n’)
𝐚 𝒂
𝟐 𝟐𝞹
𝝍𝟐 𝒙 = 𝒔𝒊𝒏 𝒙 n=2 (odd parity, for even ‘n’)
𝐚 𝒂
𝟐 𝟑𝞹
𝝍𝟑 𝒙 = 𝒄𝒐𝒔 𝒙 n=3 (Even parity)
𝐚 𝒂
𝟐 𝟒𝞹
𝝍𝟒 𝒙 = 𝒔𝒊𝒏 𝒙 n=4 (odd parity)
𝐚 𝒂

Parity- property of wave function in terms of coordinate sign

𝑰𝒇 𝝍 −𝒙 = 𝝍 𝒙 𝒕𝒉𝒆𝒏 𝒕𝒉𝒆 𝒇𝒖𝒏𝒄𝒕𝒊𝒐𝒏 𝒉𝒂𝒔 𝒂𝒏 𝒆𝒗𝒆𝒏 𝒑𝒂𝒓𝒊𝒕𝒚 𝒂𝒏𝒅
𝑰𝒇 𝝍 −𝒙 = −𝝍 𝒙 𝒕𝒉𝒆𝒏 𝒕𝒉𝒆 𝒇𝒖𝒏𝒄𝒕𝒊𝒐𝒏 𝒉𝒂𝒔 𝒂𝒏 𝒐𝒅𝒅 𝒑𝒂𝒓𝒊𝒕𝒚 𝑯𝒐𝒘 𝒕𝒐 𝒓𝒆𝒑𝒓𝒆𝒔𝒆𝒏𝒕 𝒃𝒆𝒕𝒘𝒆𝒆𝒏 𝟎 𝒕𝒐 𝒂 𝒄𝒂𝒔𝒆?
ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of Probability density

The probability density functions of the particle in box in the

first four states can be written as
𝟐 𝟏𝝅 WKT, The integral  , the probability in the range where the
𝟐
𝝍𝟏 𝒙 = 𝒄𝒐𝒔 𝟐 𝒙 𝒏 = 𝟏 function is defined (normalization condition)
𝒂 𝒂

𝟐
𝟐 𝟐
𝟐𝝅
𝝍𝟐 𝒙 = 𝒔𝒊𝒏 𝒙 𝒏=𝟐
𝒂 𝒂

𝟐
𝟐 𝟐
𝟑𝝅
𝝍𝟑 𝒙 = 𝒄𝒐𝒔 𝒙 𝒏=𝟑
𝒂 𝒂
𝟐
𝟐 𝟐
𝟒𝝅
𝝍𝟒 𝒙 = 𝒔𝒊𝒏 𝒙 𝒏=𝟒
𝒂 𝒂
 ENGINEERING PHYSICS
1 D Infinite Potential Schrodinger wave equation: Discussion of Probability density

▪ Probability density function of the particle in a box in the

first four states

Area under the curve – probability reduces as the energy state

increases in the order of 1/n
ENGINEERING PHYSICS
Test your understanding (Answer True/False)

▪ The energy of the particle in 1D box are equally spaced

▪ The probability amplitude of the particle in the n=3 at the

center of the box is high

▪ The probability of finding the particle at x=0 in the 3rd

excited state is zero

▪ For large values of n the probability density is more or less

a constant

▪ The energy required by a particle in the ground state to be

excited to the state n=4 is 𝟒𝐄𝟎
 ENGINEERING PHYSICS
Class #19……. Numericals

Evaluate the probability of locating a particle trapped in an

infinite potential well between the limits L/4 and 3L/4 assuming
that the particle is in the 3rd excited state and the well is defined
between 0 to L.
‫( 𝒙𝒅 ∗𝝍𝝍 ׬‬Probability)

𝟑𝑳ൗ 𝟑𝑳ൗ
𝟒 𝟐 𝟒𝞹 𝟐
𝟐 𝟒 𝟐 ∗ 𝟒𝞹
න [ 𝒔𝒊𝒏( 𝒙)] 𝒅𝒙 = න 𝟏 − 𝒄𝒐𝒔 𝒙 𝒅𝒙
𝑳ൗ 𝑳 𝑳 𝟐𝑳 𝑳ൗ 𝑳
𝟒 𝟒

Simplification gives, probability = 0.5

We can do it both graphically and with eqn!

(graph 4 humps with area 0.25)
 ENGINEERING PHYSICS
Class #19……. Numericals

Show that the probability of finding the particle in an infinite

potential well of width L in the nth state in an interval L/n
(between 0 to L/n) is 1/n.

‫( 𝒙𝒅 ∗𝝍𝝍 ׬‬Probability)

𝑳ൗ 𝑳ൗ𝒏
𝒏 𝟐 𝒏𝞹 𝟐
𝟐 𝟐 ∗ 𝒏𝞹
න [ 𝒔𝒊𝒏( 𝒙)] 𝒅𝒙 = න 𝟏 − 𝒄𝒐𝒔 𝒙 𝒅𝒙
𝟎 𝑳 𝑳 𝟐𝑳 𝟎 𝑳

Simplification gives, probability = 1/n

THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical Systems

Class #19

• Eigen functions and eigen energy values in a 2D potential

well

• Eigen functions and eigen energy values in a 3D potential

well
ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical Systems

➢Suggested Reading

1. Concepts of Modern Physics, Arthur Beiser, Chapter 5

2. Learning Material prepared by the Department of Physics

➢Reference Videos

1. Video lectures : MIT 8.04 Quantum Physics I

2. Engineering Physics Class #17 & #18

ENGINEERING PHYSICS
Particle bound in a 2D potential Box
• A particle in a 2D potential box has two degrees of
freedom and bound by infinite potentials at the
boundaries

• The momentum P of a particle moving in P

the x y plane can be resolved into two

independent momentum components
Px and Py along the x and y directions.

• Two independent problems for the x and y directions

and the solutions would be similar to the one
dimensional infinite potential well problem.
ENGINEERING PHYSICS
Particle bound in a 2D potential Box
The Schrodinger’s equation for motion in the x direction
can be written as
𝝏𝟐 𝝍 𝟐𝒎 𝝏𝟐 𝝍 𝟐
+ 𝟐 𝑬𝝍 = 𝟎 or + 𝒌𝒙 𝝍 =𝟎
𝝏𝒙𝟐 ℏ 𝝏𝒙𝟐
𝟐𝒎𝑬𝒙
where 𝒌𝒙 = and the solutions are
ℏ𝟐
𝟐 𝒏𝒙 𝝅
𝝍𝒏𝒙 𝒙 = 𝒄𝒐𝒔 𝒙 𝒇𝒐𝒓 𝒏𝒙 𝒐𝒅𝒅 (even parity)
𝒂 𝒂
𝟐 𝒏𝒙 𝝅
𝝍𝒏𝒙 𝒙 = 𝒔𝒊𝒏 𝒙 𝒇𝒐𝒓 𝒏𝒙 𝒆𝒗𝒆𝒏 (odd parity)
𝒂 𝒂
𝒉𝟐 𝒏𝒙 𝟐
with the eigen values for energy as 𝑬𝒙 =
𝟖𝒎𝒂𝟐
where nx can take values 1,2,3,4,5
ENGINEERING PHYSICS
Particle bound in a 2D potential Box
The Schrodinger’s equation for motion in the y direction
can be written as
𝝏𝟐 𝝍 𝟐𝒎 𝝏𝟐 𝝍 𝟐
+ 𝟐 𝑬𝒚 𝝍 = 𝟎 or + 𝒌𝒚 𝝍 =𝟎
𝝏𝒚𝟐 ℏ 𝝏𝒚𝟐
𝟐𝒎𝑬𝒚
where 𝒌𝒚 = and the solutions are
ℏ𝟐
𝟐 𝒏𝒚 𝝅
𝝍𝒏𝒚 𝒚 = 𝒄𝒐𝒔 𝒙 𝒇𝒐𝒓 𝒏𝒚 𝒐𝒅𝒅 (even parity)
𝒂 𝒂
𝟐 𝒏𝒚 𝝅
𝝍𝒏𝒚 𝒚 = 𝒔𝒊𝒏 𝒙 𝒇𝒐𝒓 𝒏𝒚 𝒆𝒗𝒆𝒏 (odd parity)
𝒂 𝒂
𝒉𝟐 𝒏𝒚 𝟐
with the eigen values for energy as 𝑬𝒚 =
𝟖𝒎𝒂𝟐
where 𝒏𝒚 can take values 1,2,3,4,5
ENGINEERING PHYSICS
Particle bound in a 2D potential Box
The eigen function of the system can be written as
𝝍𝒏𝒙 𝒏𝒚 = 𝝍𝒏𝒙 × 𝝍𝒏𝒚
The first allowed state with 𝒏𝒙 = 𝒏𝒚 = 𝟏 gives the wave
function
𝟐 𝝅 𝝅
𝝍𝟏𝟏 = 𝒄𝒐𝒔 𝒙 𝒄𝒐𝒔 𝒚
𝒂 𝒂 𝒂
The next allowed state with 𝒏𝒙 = 𝟐 𝒂𝒏𝒅 𝒏𝒚 = 𝟏 gives the
wave function
𝟐 𝟐𝝅 𝝅
𝝍𝟐𝟏 = 𝒔𝒊𝒏 𝒙 𝒄𝒐𝒔 𝒚
𝒂 𝒂 𝒂
The allowed state with 𝒏𝒙 = 𝟏 𝒂𝒏𝒅 𝒏𝒚 = 𝟐 gives the
wave function
𝟐 𝝅 𝟐𝝅
𝝍𝟏𝟐 = 𝒄𝒐𝒔 𝒙 𝒔𝒊𝒏 𝒚
𝒂 𝒂 𝒂
ENGINEERING PHYSICS
Particle bound in a 2D potential Box
The energy eigen values of the particle can be written as
𝒉𝟐 𝒏𝒙 𝟐 𝒉𝟐 𝒏𝒚 𝟐 𝒉𝟐 𝟐 𝟐
𝑬𝒏𝒙𝒏𝒚 = 𝟐
+ 𝟐
= 𝟐
𝒏𝒙 + 𝒏𝒚
𝟖𝒎𝒂 𝟖𝒎𝒂 𝟖𝒎𝒂

where 𝒏𝒙 , 𝒏𝒚 can take values 1,2,3,4,5

The first allowed energy state of the system is
𝒉𝟐 𝒉𝟐
𝑬𝟏𝟏 = 𝟐 = 𝟐𝑬𝒐 where 𝑬𝒐 = .
𝟖𝒎𝒂𝟐 𝟖𝒎𝒂𝟐
The next allowed energy state
𝐄𝟐𝟏 = 𝟓𝐄𝐨 which is also the energy of the state 𝐄𝟏𝟐
This energy state is degenerate !
For different combination of quantum numbers, the same energy
value but the wave functions are different. Such quantum states
having same energy are called degenerate.
ENGINEERING PHYSICS
Particle bound in a 2D potential Box
The states 𝝍𝟐𝟏 and 𝝍𝟏𝟐 with energy 𝟓𝑬𝒐 are degenerate
states with a degeneracy factor of 2.
In general, for a 2D system
when 𝒏𝒙 = 𝒏𝒚 the energy state is a single state and
when 𝒏𝒙 ≠ 𝒏𝒚 the energy state has a degeneracy factor of 2

The number of different states with

certain value of energy is known as
the degree of degeneracy.
ENGINEERING PHYSICS
Particle bound in a 3D potential Box
A particle bound by potentials at boundaries of a 3D box can
be analyzed in a very similar manner
The particle has 3 degrees of freedom and the problem can
be treated as three independent 1D problems
ENGINEERING PHYSICS
Particle bound in a 3D potential Box
The eigen functions for the x direction
𝟐 𝒏 𝝅
𝝍𝒏𝒙 𝒙 = 𝒄𝒐𝒔 𝒙 𝒙 𝒇𝒐𝒓 𝒏𝒙 𝒐𝒅𝒅
𝒂 𝒂
𝟐 𝒏𝒙 𝝅
𝝍𝒏𝒙 𝒙 = 𝒔𝒊𝒏 𝒙 𝒇𝒐𝒓 𝒏𝒙 𝒆𝒗𝒆𝒏
𝒂 𝒂
The eigen functions for the y direction
𝟐 𝒏𝒚 𝝅
𝝍𝒏𝒚 𝒚 = 𝒄𝒐𝒔 𝒚 𝒇𝒐𝒓 𝒏𝒚 𝒐𝒅𝒅
𝒂 𝒂
𝟐 𝒏𝒚 𝝅
𝝍𝒏𝒚 𝒚 = 𝒔𝒊𝒏 𝒚 𝒇𝒐𝒓 𝒏𝒚 𝒆𝒗𝒆𝒏
𝒂 𝒂
The eigen functions for the z direction
𝟐 𝒏𝒛 𝝅
𝝍𝒏𝒛 𝒛 = 𝒄𝒐𝒔 𝒚 𝒇𝒐𝒓 𝒏𝒛 𝒐𝒅𝒅
𝒂 𝒂
𝟐 𝒏 𝝅
𝝍𝒏𝒛 𝒛 = 𝒔𝒊𝒏 𝒛 𝒚 𝒇𝒐𝒓 𝒏𝒛 𝒆𝒗𝒆𝒏
𝒂 𝒂
ENGINEERING PHYSICS
Particle bound in a 3D potential Box
The eigen function of the particle in the box
𝝍𝒏𝒙 𝒏𝒚 𝒏𝒛 = 𝝍𝒏𝒙 × 𝝍𝒏𝒚 × 𝝍𝒏𝒛

The wave functions of the first allowed state with 𝒏𝒙 = 𝟏,

𝒏𝒚 = 𝟏 𝒂𝒏𝒅 𝒏𝒛 = 𝟏
𝟑
𝟐 𝟐 𝝅 𝝅 𝝅
𝝍𝟏𝟏𝟏 = 𝒄𝒐𝒔 𝒙 𝒄𝒐𝒔 𝒚 𝒄𝒐𝒔 𝒛
𝒂 𝒂 𝒂 𝒂

which is a singleton state (no degeneracy)

ENGINEERING PHYSICS
Particle bound in a 3D potential Box
The wave function of the allowed state with 𝒏𝒙 = 𝟐 , 𝒏𝒚 =
𝟏 𝒂𝒏𝒅 𝒏𝒛 = 𝟏
𝟑
𝟐 𝟐 𝟐𝝅 𝝅 𝝅
𝝍𝟐𝟏𝟏 = 𝒔𝒊𝒏 𝒙 𝒄𝒐𝒔 𝒚 𝒄𝒐𝒔 𝒛
𝒂 𝒂 𝒂 𝒂

The wave function of the allowed state with 𝒏𝒙 = 𝟏 , 𝒏𝒚 =

𝟐 𝒂𝒏𝒅 𝒏𝒛 = 𝟏
𝟑
𝟐 𝟐 𝝅 𝟐𝝅 𝝅
𝝍𝟏𝟐𝟏 = 𝒄𝒐𝒔 𝒙 𝒔𝒊𝒏 𝒚 𝒄𝒐𝒔 𝒛
𝒂 𝒂 𝒂 𝒂

The wave function of the allowed state with 𝒏𝒙 = 𝟏 , 𝒏𝒚 =

𝟏 𝒂𝒏𝒅 𝒏𝒛 = 𝟐
𝟑
𝟐 𝟐 𝝅 𝝅 𝟐𝝅
𝝍𝟏𝟏𝟐 = 𝒄𝒐𝒔 𝒙 𝒄𝒐𝒔 𝒚 𝒔𝒊𝒏 𝒛
𝒂 𝒂 𝒂 𝒂
ENGINEERING PHYSICS
Particle bound in a 3D potential Box
The energy of the particle in any state can be evaluated as
𝒉𝟐 𝒏𝒙 𝟐 𝒉𝟐 𝒏𝒚 𝟐 𝒉𝟐 𝒏𝒛 𝟐
𝑬𝒏 = 𝑬𝒙 + 𝑬𝒚 + 𝑬𝒛 = 𝟐
+ 𝟐
+
𝟖𝒎𝒂 𝟖𝒎𝒂 𝟖𝒎𝒂𝟐
𝒉𝟐 𝟐 𝟐 𝟐
= 𝟐 (𝒏𝒙 + 𝒏𝒚 + 𝒏𝒛 )
𝟖𝒎𝒂
The first allowed state is the ground state of the system and
has an energy
𝒉𝟐 𝒉𝟐
𝑬𝟏𝟏𝟏 = 𝟑 = 𝟑𝑬𝒐 where 𝑬𝒐 =
𝟖𝒎𝒂𝟐 𝟖𝒎𝒂𝟐

The energy second allowed state of the system is given by

𝑬𝟐𝟏𝟏 = 𝟔𝑬𝒐
which is also the energy of the states 𝑬𝟏𝟐𝟏 𝑎𝑛𝑑 𝑬𝟏𝟏𝟐
There are three allowed states for the same energy value
of 𝟔𝑬𝒐 . This state is then triply degenerate.
ENGINEERING PHYSICS
Particle bound in a 3D potential Box
The analysis of the first few states reveal that the states are
non degenerate when 𝒏𝒙 = 𝒏𝒚 = 𝒏𝒛 .
The states have a degeneracy factor of 3 whenever two of the
numbers 𝒏𝒙 , 𝒏𝒚 𝒂𝒏𝒅 𝒏𝒛 are equal and not equal to the
third.
When all the three numbers 𝒏𝒙 , 𝒏𝒚 𝒂𝒏𝒅 𝒏𝒛 are unequal
then the energy state would have a degeneracy of 6.
The energy separation between the states is not an uniform or
monotonic increase.
 ENGINEERING PHYSICS
Particle bound in a 2D & 3D potential Box
2D Box - treated as two independent 1D problems 3D Box - treated as three independent 1D problems
𝝏𝟐 𝝍 𝝏𝟐 𝝍 𝝏𝟐 𝝍 𝝏𝟐 𝝍 𝝏𝟐 𝝍
𝟐
+ 𝒌𝒙 𝟐 𝝍 = 𝟎 + 𝒌 𝒚
𝟐
𝝍=𝟎 + 𝒌 𝒙
𝟐
𝝍=𝟎 + 𝒌 𝒚
𝟐
𝝍=𝟎 + 𝒌 𝒛
𝟐
𝝍=𝟎
𝝏𝒙 𝝏𝒚𝟐 𝝏𝒙𝟐 𝝏𝒚𝟐 𝝏𝒛𝟐

𝟐 𝒏𝝅
𝝍𝒏 = 𝒄𝒐𝒔 𝒙 𝒇𝒐𝒓 𝒏 𝒐𝒅𝒅 (even parity)
𝒂 𝒂
nx ny nz can take values
𝟐 𝒏𝝅
𝝍𝒏 = 𝒔𝒊𝒏 𝒙 𝒇𝒐𝒓 𝒏 𝒆𝒗𝒆𝒏 (odd parity) 1,2,3,4,5……..
𝒂 𝒂

2D box eigen function 𝝍𝒏𝒙 𝒏𝒚 = 𝝍𝒏𝒙 × 𝝍𝒏𝒚 3D box eigen function 𝝍𝒏𝒙 𝒏𝒚𝒏𝒛 = 𝝍𝒏𝒙 × 𝝍𝒏𝒚 × 𝝍𝒏𝒛
𝒉𝟐 𝒏𝒙 𝟐 𝒉𝟐 𝒏𝒚 𝟐 energy eigen value 𝑬𝒏 = 𝑬𝒙 + 𝑬𝒚 + 𝑬𝒛
energy eigen value 𝑬𝒏𝒙 𝒏𝒚 = +
𝟖𝒎𝒂𝟐 𝟖𝒎𝒂𝟐 𝒉𝟐 𝟐 𝟐 + 𝒏 𝟐)
𝒉𝟐 = (𝒏𝒙 + 𝒏𝒚 𝒛
= 𝒏 𝟐+𝒏 𝟐 𝟖𝒎𝒂𝟐
𝟖𝒎𝒂𝟐 𝒙 𝒚

Degeneracy - same energy value but the wave functions are different (different state)
states are non degenerate when 𝒏𝒙 = 𝒏𝒚 = 𝒏𝒛 (singleton) 3D box - degeneracy factor of 3 when two of
𝒏𝒙 , 𝒏𝒚 𝒂𝒏𝒅 𝒏𝒛 are equal and not equal to the third
2D box - 𝒏𝒙 ≠ 𝒏𝒚 the energy state has degeneracy factor of 2
𝒏𝒙 , 𝒏𝒚 𝒂𝒏𝒅 𝒏𝒛 unequal then degeneracy of 6
ENGINEERING PHYSICS
Class #19 …….. Quiz….

The concepts which are true of 2D and 3D quantum systems…

1. Many particles can be accommodated in a single energy
state
2. The degeneracy of the states depend on the
combination of nx, ny and nz.
3. Particles with the same energy occupy degenerate states
4. nx = ny = nz is a degenerate state
5. Wave functions of degenerate states are different for
each of the states
ENGINEERING PHYSICS
Class #19 Conceptual questions

The first excited state of a particle confined in a three dimensional box is

three-fold degenerate. Is the statement true or false? Why?

For different combination of quantum numbers, we may obtain the

same energy value but the wave functions are different. Such quantum
states having same energy are called degenerate.
Here, the first excited state is degenerate since the same ‘n’ value is
given by three sets (1,1,2), (1,2,1), and (2,1,1). The number of different
states with certain value of energy is known as the degree of
degeneracy. Thus, first excited state is three-fold or triply degenerate.
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical Systems

Class #20

• Particle in an 1D Finite potential well

• Qualitative discussion on nature of solution

• Energy of a particle in a finite potential well

ENGINEERING PHYSICS
Unit II : Quantum Mechanics of simple systems

➢Suggested Reading

1. Concepts of Modern Physics, Arthur Beiser, Chapter 5

2. Learning Material prepared by the Department of Physics

➢Reference Videos

1. Video lectures : MIT 8.04 Quantum Physics I

2. Engineering Physics lectures of Class #14 and #17

ENGINEERING PHYSICS
Particle in an 1D finite potential well
A finite potential well: particle of mass m and energy E<Vo - three regions of potentials
Region II
ℏ𝟐 𝝅𝟐 𝒏𝟐 𝒉𝟐 𝒏𝟐 𝑳 𝑳 ℏ𝟐 𝝅𝟐 𝒏𝟐 𝒉𝟐 𝒏𝟐
𝑬𝒇𝒊𝒏𝒊𝒕𝒆 = = 𝑽=𝟎 𝒇𝒐𝒓 − < 𝒙 < +𝟐 𝑬𝒊𝒏𝒇𝒊𝒏𝒊𝒕𝒆 = =
𝟐𝒎 𝑳+𝟐∆𝒙 𝟐 𝟖𝒎 𝑳+𝟐∆𝒙 𝟐 𝟐 𝟐𝒎𝑳𝟐 𝟖𝒎𝑳𝟐

𝒅𝟐 𝝍 𝒙 . 𝟐𝒎
+ 𝟐 𝑬−𝟎 𝝍 𝒙 =𝟎
𝒅𝒙𝟐 ℏ
Region I Region III
𝑳 𝑳
𝑽 = 𝑽𝒐 𝒇𝒐𝒓 𝒙 < − 𝒅𝟐 𝝍 𝒙 𝑽 = 𝑽𝒐 𝒇𝒐𝒓 𝒙>+
𝟐 + 𝒌𝟐 𝝍 = 𝟎 𝟐
𝒅𝒙 𝟐

𝝏𝟐 𝝍𝑰 (𝒙) 𝟐 𝝍𝟐 = 𝑨 𝐜𝐨𝐬 𝒌𝟐 𝒙 𝒇𝒐𝒓 𝒐𝒅𝒅 𝒗𝒂𝒍𝒖𝒆𝒔 𝒐𝒇 𝒏 𝝏𝟐 𝝍𝑰𝑰𝑰 (𝒙) 𝟐

− 𝛂 𝝍𝑰 (𝒙) = 𝟎 − 𝛂 𝝍𝑰𝑰𝑰 (𝒙) = 𝟎
𝝏𝒙𝟐 𝝍𝟐 = 𝑨 𝐬𝐢𝐧(𝒌𝟐 𝒙) 𝒇𝒐𝒓 𝒆𝒗𝒆𝒏 𝒗𝒂𝒍𝒖𝒆𝒔 𝒐𝒇 𝒏 𝝏𝒙𝟐

𝟐𝒎( 𝑽𝟎 −E) 𝟐𝒎( 𝑽𝟎 −E)

𝛂= 𝛂= ℏ𝟐
ℏ𝟐

𝝍𝑰𝑰 (𝒙) = 𝑭𝒆𝜶𝒙 + 𝑮𝒆−𝜶𝒙 𝝍𝑰𝑰 (𝒙) = 𝑭𝒆𝜶𝒙 + 𝑮𝒆−𝜶𝒙

𝑳
𝒔𝒊𝒏𝒄𝒆, 𝒙 < − 𝟐 𝝍𝑰𝑰 (𝒙) = 𝑭𝒆𝜶𝒙 𝑺𝒊𝒏𝒄𝒆, 𝒙 >
𝑳
+𝟐 𝝍𝑰𝑰 (𝒙) = 𝑮𝒆−𝜶𝒙
ENGINEERING PHYSICS
Particle in an 1D finite potential well
A finite potential well is defined by three regions of potentials
defined by
𝑳
Region I 𝑽 = 𝑽𝒐 𝒇𝒐𝒓 𝒙 < −
𝟐
𝑳 𝑳
Region II 𝑽 = 𝟎 𝒇𝒐𝒓 − < 𝒙 < +
𝟐 𝟐
𝑳
Region III 𝑽 = 𝑽𝒐 𝒇𝒐𝒓 𝒙>+
𝟐
A particle of mass m and energy E<Vo is bound by the
𝑳
finite potential steps 𝑽 = 𝑽𝒐 at the boundaries ±
𝟐
ENGINEERING PHYSICS
Particle in an 1D finite potential well

Considering the three regions, the wave functions could be

written as
𝟐𝒎 𝑽𝒐 −𝑬
𝝍𝟏 = 𝑫𝒆𝜶𝒙 where 𝜶 = for the region 𝒙 < −𝑳Τ𝟐
ℏ𝟐
𝝍𝟐 = 𝑨 𝐜𝐨𝐬 𝒌𝟐 𝒙 𝒇𝒐𝒓 𝒐𝒅𝒅 𝒗𝒂𝒍𝒖𝒆𝒔 𝒐𝒇 𝒏 or
𝝍𝟐 = 𝑨 𝐬𝐢𝐧(𝒌𝟐 𝒙) 𝒇𝒐𝒓 𝒆𝒗𝒆𝒏 𝒗𝒂𝒍𝒖𝒆𝒔 𝒐𝒇 𝒏
𝟐𝒎𝑬
where 𝒌𝟐 = for the region −𝑳Τ𝟐 < 𝒙 < 𝑳Τ𝟐
ℏ𝟐
𝟐𝒎 𝑽𝒐 −𝑬
𝝍𝟑 = 𝑮𝒆−𝜶𝒙 where 𝜶 = for the region 𝒙 > +𝑳Τ𝟐
ℏ𝟐
However, it is to be noted that the wave function 𝝍𝟐 would
𝑳 𝑳
not be zero at the boundaries of − 𝒂𝒏𝒅 +
𝟐 𝟐
ENGINEERING PHYSICS
Particle in an 1D finite potential well
The continuity of the wave functions and their derivatives at
𝑳
the boundaries ± can be established to understand the
𝟐
eigen values.

These are transcendental equations which do not yield exact

solutions.

Approximate solutions can be obtained using numerical

methods or graphical methods

Not going in to details! Always a scope for future study

ENGINEERING PHYSICS
Particle in an 1D finite potential well
The energy of the particle in a finite potential well can be
inferred from the concept of energy of a particle in
an infinite potential well.
ℏ𝟐 𝝅𝟐 𝒏𝟐 ℏ𝟐 𝝅𝟐 𝒏𝟐
𝑬𝒊𝒏𝒇𝒊𝒏𝒊𝒕𝒆 = =
𝟐𝒎𝑳𝟐 𝟐𝒎 𝒘𝒊𝒅𝒕𝒉 𝒐𝒇 𝒕𝒉𝒆 𝒘𝒆𝒍𝒍 𝒘𝒉𝒆𝒓𝒆 𝝍→𝟎 𝟐

The wave function 𝝍𝟏 and 𝝍𝟑 decay down in a distance ∆𝒙 in

𝑳
the regions beyond 𝒙 > .
𝟐
The energy of the particle in the finite potential well can be
approximated as
ℏ𝟐 𝝅𝟐 𝒏𝟐 ℏ𝟐 𝝅𝟐 𝒏𝟐
𝑬𝒇𝒊𝒏𝒊𝒕𝒆 = =
𝟐𝒎 𝒘𝒊𝒅𝒕𝒉 𝒐𝒇 𝒕𝒉𝒆 𝒘𝒆𝒍𝒍 𝒘𝒉𝒆𝒓𝒆 𝝍→𝟎 𝟐 𝟐𝒎 𝑳+𝟐∆𝒙 𝟐

𝑬𝒇𝒊𝒏𝒊𝒕𝒆 < 𝑬𝒊𝒏𝒇𝒊𝒏𝒊𝒕𝒆

ENGINEERING PHYSICS
Wave functions and probability of a Particle in an 1D finite potential well
Graphically the wave functions could be drawn with the
condition that
𝑳 𝑳
𝝍𝟏 = 𝝍𝟐 𝒂𝒕 𝒙 = − and 𝝍𝟐 = 𝝍𝟑 𝒂𝒕 𝒙 =
𝟐 𝟐

Ground state
ENGINEERING PHYSICS
Class #20 …….. Quiz….

The concepts which are true of a finite potential well ….

1. Inside the potential well the potential is zero implies the
particle is a free particle
2. If the energy of the particle is greater than the potential
then the particle is a free particle (in a limited sense)
3. The energy of the particle in the finite potential well are 𝒉𝟐 𝝅𝟐 𝒏𝟐
equally spaced 𝟐𝒎 𝑳 + 𝟐∆𝒙 𝟐

4. The energy of the particle in the finite potential well is

𝒉𝟐 𝒏𝟐
always less than that of a particle in the infinite potential 𝑬𝒏 =
𝟖𝒎𝑳𝟐
well in identical states
𝑬𝒇𝒊𝒏𝒊𝒕𝒆 < 𝑬𝒊𝒏𝒇𝒊𝒏𝒊𝒕𝒆
ENGINEERING PHYSICS
Class #20 …….. Conceptual Questions

1. Plot the probability densities for the first three quantum

states of an electron trapped in an infinite potential well
of width L.
ENGINEERING PHYSICS
Class #20 …….. Conceptual Questions

2. A particle trapped in a finite potential well. Sketch the

Eigen functions for first three energy states.
ENGINEERING PHYSICS
Class #20 …….. Conceptual Questions

3. Compare the energy levels of the first three quantum

states of identically sized finite and infinite potential wells.

In the case of the finite potential well the energy of the particle can be
written as
𝒉𝟐 𝝅𝟐 𝒏𝟐 𝒉𝟐 𝝅𝟐 𝒏𝟐
𝑬𝒇𝒊𝒏𝒊𝒕𝒆 = = , where n=1,2,3…..
𝟐𝒎 𝒘𝒊𝒅𝒕𝒉 𝒐𝒇 𝒕𝒉𝒆 𝒘𝒆𝒍𝒍 𝒘𝒉𝒆𝒓𝒆 𝝍→𝟎 𝟐 𝟐𝒎 𝑳+𝟐∆𝒙 𝟐

Hence the energy values are less than the energy values for the
corresponding states of an infinite potential well of the width L.
𝒉𝟐 𝒏𝟐
Eigen energy values for an identical infinite well is given by 𝑬𝒏 =
𝟖𝒎𝑳𝟐
where n = 1,2 3…
First quantum state for n=1. Second state for n=2 and third quantum state
for n=4.
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit II : Quantum Mechanics of simple systems

Class # 21

• Concept of Harmonic Oscillators

• Two body problem - two atoms in bonding

• Potential energy of the system

• SWE of the system

• Eigen functions and Eigen energy values of the system

ENGINEERING PHYSICS
Unit II : Quantum Mechanics of simple systems

➢Suggested Reading

1. Concepts of Modern Physics, Arthur Beiser, Chapter 6

2. Learning Material prepared by the Department of Physics

➢Reference Videos

1. Video lectures : MIT 8.04 Quantum Physics I

2. Engineering Physics Class #20

ENGINEERING PHYSICS
Harmonic Oscillator: Understanding through classical oscillator

Quantum Harmonic Oscillator: Basic building block of atomic interactions

Much like Classical harmonic oscillator
Classical harmonic oscillator: Mechanical energy oscillates back and
forth between potential and kinetic forms
Classical harmonic oscillator is a bound particle of mass m
subjected to oscillations about a mean position by a force
𝒅𝟐 𝒙
𝑭 = 𝒎𝒂 = 𝒎
𝒅𝒕𝟐
The amplitude of the oscillations is limited by Hooke’s law
The restoring force is proportional to the displacement of the
particle from a mean position 𝑭𝒓 = −𝒌𝒙
ENGINEERING PHYSICS
Harmonic Oscillator: Understanding through Classical oscillator
The fundamental frequency of oscillation of such a system
𝒌
𝝎=
𝒎

spring constant 𝒌 = 𝒎𝝎𝟐

𝒅𝑽
The restoring force 𝑭𝒓 = −𝒌𝒙 = −
𝒅𝒙
𝟏 𝟏
The potential energy (PE) of the system 𝑽 𝒙 = 𝒌𝒙𝟐 = 𝒎𝝎𝟐 𝒙𝟐
𝟐 𝟐

𝒅𝑽 = − 𝑭𝒅𝒙 = − −𝒌𝒙. 𝒅𝒙 = +𝒌𝒙. 𝒅𝒙

𝟏 𝟐
𝑷𝑬 = 𝑽 = න 𝒌𝒙. 𝒅𝒙 = 𝒌𝒙
𝟐
ENGINEERING PHYSICS
Quantum Harmonic Oscillator - Analysis (Diatomic molecule)

A diatomic molecule with atoms of mass m1 and m2

bound by a bond that is springy in nature
Analyzed as a spring mass system with spring constant 𝒌
which basically depend on the bond strength Quantum harmonic oscillator looks much
The effective mass 𝝁 of the system will decide the like classical oscillator: mechanical energy
becomes Hamiltonian operator with
𝒌
frequency of oscillations of the bond 𝛚 = potential and kinetic parts
𝝁
𝟏
the potential energy of the system 𝑽(𝒙) = 𝝁𝝎𝟐 𝒙𝟐
𝟐

𝒌 𝟏 𝟐 𝒙𝟐
Remember, 𝝎 = and 𝑽(𝒙) = 𝒎𝝎
𝒎 𝟐
ENGINEERING PHYSICS
Quantum Harmonic Oscillator: Schrodinger’s wave equation

The Schrodinger wave equation for the system can be

written as 𝝏𝟐 𝝍(𝒙) 𝟐𝒎
+ 𝟐 𝑬−𝑽 𝝍=𝟎
𝒅𝟐 𝝍 𝒙 𝟐𝝁 𝟏 𝝏𝒙𝟐 ℏ
+ 𝑬 − 𝝁𝝎𝟐 𝒙𝟐 𝝍 𝒙 = 𝟎 or
𝒅𝒙𝟐 ℏ𝟐 𝟐 𝒅𝟐 𝝍 𝒙 . 𝟖𝝅𝟐 𝒎
𝟐
+ 𝟐
𝑬−𝑽 𝝍 𝒙 =𝟎
𝒅𝒙 𝒉
𝑽(𝒙) is finite in this case and
𝟏
𝑬− 𝝁𝝎𝟐 𝒙𝟐 will be positive
𝟐

the eigen functions and eigen energy values of the system

can be obtained with help of Hermite polynomials.
ENGINEERING PHYSICS
Eigen functions of the Harmonic Oscillator

The eigen functions of the system are

𝟏
−𝟐 𝝃 𝟐
𝝍𝒏 𝒙 = 𝑵𝒏 𝑯𝒏 𝝃 𝒆
where 𝒏 = 𝟎, 𝟏, 𝟐, 𝟑, 𝟒 … 𝒘𝒉𝒆𝒓𝒆 ′𝝃′ 𝒊𝒔 𝒂𝒇𝒖𝒏𝒄𝒕𝒊𝒐𝒏 𝒐𝒇 𝒙, 𝝁 𝒂𝒏𝒅𝝎
The normalization constant is 𝑵𝒏 and
𝑯𝒏 𝝃 are the Hermite polynomials.
ENGINEERING PHYSICS
Eigen energy values of the Classical Harmonic Oscillator
The solution yield the eigen energy values of the system
𝟏 𝟏
𝐄𝐧 = 𝐧 + ℏ𝛚 = 𝐧 + 𝐡ν
𝟐 𝟐
𝟏 𝟑 𝟓
The energy states are ℏ𝝎, ℏ𝝎, ℏ𝝎, … …
𝟐 𝟐 𝟐 Remember for infinite
The energy states are then equally spaced with a difference potential well:
of ℏ𝛚 Unequally spaced
ENGINEERING PHYSICS
Eigen functions of the Classical Harmonic Oscillator

The wave functions of the system can be graphically inferred

from the concepts of a 1D finite potential well
The width of the well corresponds to the maximum
displacement
Each state has a increasing width and a longer decay tail
The probability distribution in the different states

increasing width
and a longer decay
ENGINEERING PHYSICS
Anharmonic Oscillator

Real potential energy variations deviate from the ideal

parabolic potential energy curve ∝ 𝒙𝟐
Bonding with exchange of electrons / sharing of electrons There is always
results in a deviation of the electrostatic interactions diverse option to
Treated as a perturbation of the harmonic oscillator potential understand!

An additional term for the potential ∝ 𝒙𝟒

Non uniform energy separation
ENGINEERING PHYSICS
Quantum Harmonic Oscillator - Analysis (Diatomic molecule- two atoms in bonding)
Analyzed as a spring mass system with spring constant 𝒌 (depend on the bond strength)

𝟏
potential energy of the system 𝑽(𝒙) = 𝝁𝝎𝟐 𝒙𝟐
𝟐

𝟏 𝒌
𝑽 𝒙 = 𝒌𝒙𝟐 & frequency of oscillations of the bond 𝛚 =
𝟐 𝝁

Schrodinger wave equation for the system

𝒅𝟐 𝝍 𝒙 𝟐𝝁 𝟏 𝟐 𝒙𝟐 𝝍 𝒙 = 𝟎
+ 𝑬 − 𝝁𝝎
𝒅𝒙𝟐 ℏ𝟐 𝟐

solution yield the eigen energy

values of the system where 𝒏 =
𝟏 𝟏 𝟎, 𝟏, 𝟐, 𝟑, 𝟒 …
𝐄𝐧 = 𝐧 + ℏ𝛚 = 𝐧 + 𝐡ν wave functions and probability densities
𝟐 𝟐
can be graphically inferred from the
𝟏 𝟑 𝟓
energy states are ℏ𝝎, ℏ𝝎, ℏ𝝎, … concepts of a 1D finite potential well
𝟐 𝟐 𝟐
ENGINEERING PHYSICS
Class #21 …….. Quiz….

The concepts which are not true of Harmonic oscillators …

1. The harmonic oscillator potential energy is proportional 𝟏
𝑽(𝒙) = 𝝁𝝎𝟐 𝒙𝟐
to the square of the displacement from the mean position 𝟐

2. The ground state energy of the harmonic oscillator is a 𝟏 𝟏

zero energy state 𝐄𝐧 = 𝐧 + 𝟐 ℏ𝛚 = 𝐧 + 𝟐 𝐡ν

𝟗
3. The energy of the 4th excited state is ℏ𝝎
𝟐
ENGINEERING PHYSICS
Class #21 …….. Conceptual questions

Formulate Schrodinger wave equation for a linear harmonic oscillator

Consider a diatomic molecule with the masses of the atoms as m1 and m2

bound by a bond that is springy in nature, representative of a linear
harmonic oscillator. In this case the effective mass 𝛍 of the system will
decide the frequency of oscillations.
The potential energy of the system is evaluated as
𝟏 𝟏
𝑽 = − ‫ 𝟐𝒙 𝟐𝝎𝝁 𝟐 = 𝟐𝒙𝒌 𝟐 = 𝒙𝒅𝒙𝒌 ׬ = 𝒙𝒅𝑭 ׬‬.
Using this form of the potential in the Hamiltonian 𝐇𝛙 we get
ℏ 𝟐 𝒅𝟐 𝝍 𝒙 ℏ 𝟐 𝒅𝟐 𝝍 𝒙 𝟏
− 𝟐𝝁 𝒅𝒙𝟐 + 𝑽𝝍 𝒙 = − + 𝝁𝝎𝟐 𝒙𝟐 = 𝑬𝝍 𝒙
𝟐𝝁 𝒅𝒙𝟐 𝟐
The Schrodinger wave equation can be written as
𝒅𝟐 𝝍 𝒙 𝟐𝝁 𝟏 𝟐 𝒙𝟐 𝝍 𝒙 = 𝟎
+ 𝑬 − 𝝁𝝎
𝒅𝒙𝟐 𝒉𝟐 𝟐

Sketch the probability distribution for a linear harmonic oscillator for the first two quantum states
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit II : Quantum Mechanics of simple systems

Class # 22

• Hydrogen atom – a three dimensional analysis

• Wave equations in cartesian and spherical polar co-ordinates

• Method of solving a 3D wave equation

• Eigen energy values

• Spectra of the Hydrogen atom

ENGINEERING PHYSICS
Unit II : Quantum Mechanics of simple systems

➢Suggested Reading

1. Concepts of Modern Physics, Arthur Beiser, Chapter 6

2. Learning Material prepared by the Department of Physics

➢Reference Videos

1. Video lectures : MIT 8.04 Quantum Physics I

2. Engineering Physics Class #19

ENGINEERING PHYSICS
The hydrogen atom problem

The hydrogen atom is the simplest stable structure with

a proton as the nucleus and a single electron bound to it
(a two particle 3D system – μ = effective mass)
The Schrodinger’s wave equation in 𝒙, 𝒚, 𝒛 (𝟑𝑫)
𝝏𝟐 𝜳 𝝏𝟐 𝜳 𝝏𝟐 𝜳 𝟐μ 𝝏𝟐 𝝏𝟐 𝝏𝟐
𝟐
+ 𝟐 + 𝟐 + 𝟐 𝑬 − 𝑽 𝜳 𝒙, 𝒚, 𝒛 = 𝟎 𝝏𝒙𝟐
+
𝝏𝒚𝟐
+
𝝏𝒛𝟐
- Laplacian
𝝏𝒙 𝝏𝒚 𝝏𝒛 ℏ
For hydrogen atom, the potential energy is the electric
potential energy,
𝒆𝟐 V is a function of r , cannot substitute To explore spherical
𝑽=− directly in Schrodinger’s eqn. polar co-ordinates
𝟒πε𝟎𝒓
𝒓, 𝜽, 𝝋
As the atom is spherically symmetric the solution of the
SWE can be attempted using spherical polar co-ordinates.
ENGINEERING PHYSICS
Spherical co-ordinate system

The transition from the cartesian coordinate system (𝒙, 𝒚, 𝒛) to

the spherical coordinate system 𝒓, 𝜽, 𝝋
𝒙 = 𝒓 𝒔𝒊𝒏 𝜽 𝒄𝒐𝒔 𝝋 ,
𝒚 = 𝒓 𝒔𝒊𝒏 𝜽 𝒔𝒊𝒏 𝝋 and
𝒛 = 𝒓 𝒄𝒐𝒔 𝜽
where
𝒓 = 𝒙𝟐 + 𝒚𝟐 + 𝒛𝟐 - the radius vector
𝒛
𝜽= 𝒄𝒐𝒔−𝟏 - the polar angle
𝒙𝟐 +𝒚𝟐 +𝒛𝟐
(angle between radius vector and +z axis)
−𝟏 𝒚
𝝋= 𝒕𝒂𝒏 - the azimuthal angle (projection of the radius
𝒙
vector in the xy plane and +x axis)
ENGINEERING PHYSICS
Wave equation in spherical polar co-ordinates
In spherical polar co-ordinates, the Laplacian takes the form

𝟏 𝛛 𝟐
𝛛 𝟏 𝛛 𝛛 𝟏 𝛛𝟐 𝝏𝟐 𝝏𝟐 𝝏𝟐
𝟐
𝒓 + 𝟐 𝒔𝒊𝒏𝜽 + 𝟐 + + - Laplacian
𝒓 𝛛𝒓 𝛛𝒓 𝒓 𝒔𝒊𝒏𝜽 𝛛𝜽 𝛛𝜽 𝒓 𝒔𝒊𝒏𝟐 𝜽 𝛛𝝋𝟐 𝝏𝒙𝟐 𝝏𝒚𝟐 𝝏𝒛𝟐

The Schrodinger’s wave equation in 𝒓, 𝜽, 𝝋

𝟏 𝛛 𝛛𝝍 𝟏 𝛛 𝛛𝝍 𝟏 𝛛𝟐𝝍 𝟐μ
𝟐
𝒓 + 𝟐 𝒔𝒊𝒏𝜽 + 𝟐 + 𝟐 𝑬−𝑽 𝜳=𝟎
𝒓𝟐 𝛛𝒓 𝛛𝒓 𝒓 𝒔𝒊𝒏𝜽 𝛛𝜽 𝛛𝜽 𝒓 𝒔𝒊𝒏𝟐 𝜽 𝛛𝝋𝟐 ℏ
𝟐
𝒆
Substituting for potential energy, 𝑽 = − & multiplying the entire equation by 𝒓𝟐 𝒔𝒊𝒏𝟐 𝜽
𝟒πε𝟎𝒓

𝒓𝟐 𝒔𝒊𝒏𝟐 𝜽 𝛛 𝟐
𝛛𝝍 𝒓𝟐 𝒔𝒊𝒏𝟐 𝜽 𝛛 𝛛𝝍 𝒓𝟐 𝒔𝒊𝒏𝟐 𝜽 𝛛𝟐 𝝍 𝟐μ
𝒓 + 𝟐 𝒔𝒊𝒏𝜽 + 𝟐 + 𝟐 𝑬−𝑽 𝜳=𝟎
𝒓𝟐 𝛛𝒓 𝛛𝒓 𝒓 𝒔𝒊𝒏𝜽 𝛛𝜽 𝛛𝜽 𝟐
𝒓 𝒔𝒊𝒏 𝜽 𝛛𝝋 𝟐 ℏ
ENGINEERING PHYSICS
Wave equation in spherical polar co-ordinates and differential equation for each variable

The Schrodinger’s wave equation in 𝒓, 𝜽, 𝝋

𝛛 𝟐 𝛛𝝍 𝛛 𝛛𝝍 𝛛𝟐 𝝍 𝟐μ𝒓𝟐 𝒔𝒊𝒏𝟐 𝜽 𝒆𝟐
𝒔𝒊𝒏𝟐 𝜽 𝒓 + 𝒔𝒊𝒏𝜽 𝒔𝒊𝒏𝜽 + + + 𝑬 𝜳(𝒓, 𝜽, 𝝋 ) = 𝟎
𝛛𝒓 𝛛𝒓 𝛛𝜽 𝛛𝜽 𝛛𝝋𝟐 ℏ𝟐 𝟒πε𝟎𝒓

where 𝜳 𝒓, 𝜽, 𝝋 is the wave function in spherical polar co-ordinate system

– to completely specify the behavior of the system
Differential eq: for
The wave function can be resolved into three independent each variable
components in the three independent variables 𝒓, 𝜽 𝒂𝒏𝒅 𝝋
Solution yield three
𝜳 𝒓, 𝜽, 𝝋 = 𝑹 𝒓 . 𝜣 𝜽 . 𝜱 𝝋 quantum numbers
The SWE can be resolved into three independent wave
equations in 𝒓, 𝜽 𝒂𝒏𝒅 𝝋 and can be solved to obtain all the components of Particle in 3D box
needs three
𝜳 i.e, 𝑹 𝒓 , 𝜣 𝜽 & 𝜱 𝝋 quantum numbers
ENGINEERING PHYSICS
The three quantum numbers

The analysis results in three quantum numbers

The radial component of the wave equation gives principal quantum number, n

𝒏 = 𝟏, 𝟐, 𝟑. .
The polar component of the wave equation gives orbital (angular momentum)
quantum number, l
𝒍 = 𝟎, 𝟏, 𝟐, 𝟑 … . . 𝒏 − 𝟏
The azimuthal component of the wave equation gives magnetic quantum number, ml

𝒎𝒍 = 𝟎, ±𝟏, ±𝟐, … … . . , ±𝒍 Worth noting: Natural way of

appearing quantum numbers!
ENGINEERING PHYSICS
Probability density as a function of distance
The probability density plot as a function of distance r gives
the most probable position of the electron
ENGINEERING PHYSICS
Eigen energy values
The energy of the electron in the different states can be
written as
𝟐
𝝁 𝒆𝟐 𝟏 𝑹𝑯
𝑬𝒏 = − 𝑬𝒏 = − 𝟐 , 𝒑𝒓𝒆𝒄𝒊𝒔𝒆𝒍𝒚 𝒕𝒉𝒆 𝒔𝒂𝒎𝒆 𝒂𝒔 𝑩𝒐𝒉𝒓 𝒐𝒃𝒕𝒂𝒊𝒏𝒆𝒅!
𝟐ℏ𝟐 𝟒𝝅𝜺𝒐 𝒏𝟐 𝒏

where 𝒏 = 𝟏, 𝟐, 𝟑
The energy is written as negative to indicate that the system is
in a bound state
The ground state energy of the system can be evaluated as
𝟐
𝝁 𝒆𝟐
𝑬𝟏 = − = −𝟏𝟑. 𝟔𝒆𝑽
𝟐ℏ𝟐 𝟒𝝅𝜺𝒐
ENGINEERING PHYSICS
Hydrogen atom spectra
The energy difference between two states can be evaluated as
∆𝑬 = 𝑬𝒏𝟐 − 𝑬𝒏𝟏
𝟐 𝟐
𝝁 𝒆𝟐 𝟏 𝝁 𝒆𝟐 𝟏
=− 𝟐 − 𝟐ℏ𝟐 𝟒𝝅𝜺
𝟐ℏ𝟐 𝟒𝝅𝜺𝒐 𝒏𝟏 𝒐 𝒏𝟐𝟐

𝟐
𝝁 𝒆𝟐 𝟏 𝟏
=− 𝟐 − 𝟐
𝟐ℏ𝟐 𝟒𝝅𝜺𝒐 𝒏𝟏 𝒏𝟐
The energy of transition ∆𝑬 between different states gives us
the absorption or emission spectra of the atom
ENGINEERING PHYSICS
Hydrogen atom spectra

WKT, spectral series-LBPBP

The predicted values of the wavelengths of the spectral lines

𝒉𝒄
of the Hydrogen atom ∆𝑬 = agree with the observed
𝝀
wavelengths in the emission spectra of the Hydrogen atom
ENGINEERING PHYSICS
Hydrogenic atoms
The same analysis can be used to study hydrogen like atoms
with a single electron in the outer most orbital such as
Deuterium, doubly ionized Lithium, etc
The effective mass 𝝁 can be estimated and gives reasonably
correct values of the energy of the states and hence their
spectral characteristics Key points:
Schrodinger’s equation evolves in different
quantum systems
3D spherical polar components of wave function
3 quantum numbers
Eigen energy value matches with Bohr’s model
Correct explanation of hydrogen spectra
 ENGINEERING PHYSICS
Class #22 …….. Conceptual questions

1. Elaborate the occurrence of various specific quantum

numbers to understand the properties of hydrogen atom
2. How does the eigen energy value significant with respect to
Bohr’s model?
3. How does the eigen value demonstrates the spectral
features of hydrogen atoms.
4. Elaborate the significance of different components of
wavefunction to understand the properties hydrogen atom.
5. Plot the variation of probability with respect to increasing
order of atomic orbital regions.
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit III : Application of Quantum Mechanics to Electrical Transport in Solids

➢Suggested Reading
1. Fundamentals of Physics, Resnik and Halliday,
Chapter 41
2. Concepts of Modern Physics, Arthur Beiser, Chapter 9
3. Learning material prepared by the department- Unit III

➢Reference Videos

Physics Of Materials-IIT-Madras/lecture-24.html
ENGINEERING PHYSICS
Density of States : Concepts and derivation

Class #23
• Number of energy states
• Valence electrons as particles in 3D box
• Expression for density of states
• Density of occupied states
• Valence electron concentration in terms of density of
states
 ENGINEERING PHYSICS
Density of Energy States: Concepts

• Why density of states?

Electron concentration (number of electrons per unit volume) is
expressed in terms of density of states and Fermi factor

𝑵𝒐. 𝒐𝒇 𝒇𝒓𝒆𝒆 𝒆𝒍𝒆𝒄𝒕𝒓𝒐𝒏𝒆 𝒑𝒆𝒓 𝒂𝒕𝒐𝒎 𝒙 𝑨𝒗𝒂𝒈𝒂𝒅𝒓𝒐 𝒏𝒖𝒎𝒃𝒆𝒓 𝒙 𝑫𝒆𝒏𝒔𝒊𝒕𝒚

𝒏(𝒂𝒔 𝒑𝒆𝒓 𝑪𝑭𝑬𝑻) =
𝑨𝒕𝒐𝒎𝒊𝒄 𝒘𝒕.

What is Fermi factor? Why needed?

• Fermi factor by itself just gives probability of occupancy – Thus,
density of states with Fermi factor give actual density of occupied states
 ENGINEERING PHYSICS
Density of Energy States: Concepts

• The actual number of valence electrons depends on concept of

density of states
• Density of states (g(E).dE) gives number of available electron
states per unit volume per unit energy range at a certain energy
level, E
• Electron concentration (number of electrons per unit volume) is
expressed in terms of density of states and Fermi factor
• Fermi factor by itself just gives probability of occupancy – Thus,
density of states with Fermi factor give actual density of occupied states
 ENGINEERING PHYSICS
Density of States Derivation
• Valence electrons in metal approximated as particles in a 3D
box
• Consider a mono-valent metal in the form of a cube of side L
• Inside the metal electrons move in a zero potential field (V = 0
inside and V = ∞ outside)

Metal as a 3D Box - a cube of side L

Image courtesy: studyres.com

 ENGINEERING PHYSICS
Density of States Derivation
• Three dimensional Schrödinger’s wave equation for 3D box
written as three one dimensional Schrödinger’s wave
equation
𝝏𝟐 𝝍(𝒙) 𝟐𝒎
+ 𝟐 𝑬𝝍 = 𝟎
ℏ𝟐 𝒅𝟐 𝝍 𝒙 𝝏𝒙𝟐 ℏ
+ 𝑬𝝍 𝒙 = 𝟎 𝝏𝟐 𝝍
𝟐𝒎 𝒅𝒙 𝟐 or 𝝏𝒙𝟐 + 𝒌𝒙 𝟐 𝝍 = 𝟎
(x component)
ℏ𝟐 𝒅𝟐 𝝍 𝒚 𝝏𝟐 𝝍(𝒚) 𝟐𝒎
+ 𝑬𝝍 𝒚 = 𝟎 + 𝑬 𝝍 =𝟎
𝟐𝒎 𝒅𝒚 𝟐 𝝏𝒚𝟐 ℏ𝟐 𝒚
𝝏𝟐 𝝍
(y component) or 𝝏𝒚𝟐 + 𝒌𝒚 𝟐 𝝍 =𝟎
ℏ𝟐 𝒅𝟐 𝝍 𝒛
𝟐
+ 𝑬𝝍 𝒛 = 𝟎
𝟐𝒎 𝒅𝒛
(z component)
 ENGINEERING PHYSICS
Density of States Derivation
Analysis of corresponding solutions of the Schrödinger’s wave
equation (wave functions) gives the eigen energy values
𝒉𝟐 𝒏𝒙 𝟐
𝑬𝒏𝒙 = (x component)
𝟖𝒎𝑳𝟐

𝒉𝟐 𝒏𝒚 𝟐
𝑬𝒏𝒚 = (y component)
𝟖𝒎𝑳𝟐

𝒉𝟐 𝒏𝒛 𝟐
𝑬𝒏𝒛 = (z component)
𝟖𝒎𝑳𝟐
The total energy of valence electron
𝒉𝟐 𝟐 𝟐 𝟐 𝒉𝟐
𝑬𝒏 = 𝒏𝒙 + 𝒏𝒚 + 𝒏𝒛 = 𝑹𝟐 ………….(1)
𝟖𝒎𝑳𝟐 𝟖𝐦𝑳𝟐

where 𝑹𝟐 = 𝒏𝒙 𝟐 + 𝒏𝒚 𝟐 + 𝒏𝒛 𝟐
Thus, every combination of nx, ny and nz result in an energy state
 ENGINEERING PHYSICS
Density of States Derivation

• Density of energy states with energy E is evaluated by

studying variation of the combinations of nx, ny and nz
• These combinations display the particles moving in different
directions (x, y and z)
• Thus n space corresponds to the momentum space, since
𝝅
wave vector 𝒌 = 𝒏
𝑳
• When nx, ny and nz are equal the energy state is unique and
is non degenerate
• when two of the three nx, ny and nz are equal, the energy
states are degenerate with degeneracy of 3
• when nx, ny and nz are not equal, degree of degeneracy of 6
 ENGINEERING PHYSICS
Density of States Derivation

• Evaluating the number of states is equivalent to evaluating

the volume of the n-space

𝒉𝟐 𝟐 𝟐 𝟐 𝒉𝟐
nz 𝑬𝒏 = 𝒏𝒙 + 𝒏𝒚 + 𝒏𝒛 = 𝑹𝟐
𝟖𝒎𝑳𝟐 𝟖𝐦𝑳𝟐

Only valid region with positive n

values – An octant of n sphere!

ny
Allowed wave vector states in k-space
𝝅
(uniform grid of points with separation of 𝒏 )
𝑳
nx
Image courtesy: studyres.com
ENGINEERING PHYSICS
Density of States Derivation

Image courtesy: hyperphysics

 ENGINEERING PHYSICS
Density of States Derivation

• The n-space associated with valence electrons (particle in 3D

box) involves only positive values of nx, ny and nz
• Hence, it is sufficient to find volume of the octant of a sphere Quantum conditions restrict only
positive values to nx, ny and nz , So
of radius R to evaluate the number of energy states up to R only one octant of sphere valid!

Relevant volume of n-space

to evaluate the number of energy states

Image courtesy: hyperphysics

 ENGINEERING PHYSICS
Density of States Derivation
• For a small energy range between E to E+dE , the number of states
for nx, ny and nz will be equal to change in volume of the octant shell
of radius from R to R+dR, where R >>dR Volume of thin spherical shell
= area x thickness
𝑽𝒐𝒍𝒖𝒎𝒆 𝒐𝒇 𝒔𝒉𝒆𝒍𝒍 𝒐𝒇 𝒕𝒉𝒊𝒄𝒌𝒏𝒆𝒔𝒔 𝒅𝑹, = 𝟒𝝅𝑹𝟐 . 𝒅𝑹
𝟏
𝑽𝒐𝒍𝒖𝒎𝒆 𝒐𝒇 𝒐𝒄𝒕𝒂𝒏𝒕 𝒔𝒉𝒆𝒍𝒍 𝒐𝒇 𝒕𝒉𝒊𝒄𝒌𝒏𝒆𝒔𝒔 𝒅𝑹, = . 𝟒𝝅𝑹𝟐 . 𝒅𝑹
Volume of the shell of thickness dR 𝟖
𝝅𝑹𝟐 𝒅𝑹
= = Number of energy states available between R and R+dR
𝟐

• From the eigen energy expression 𝒉𝟐 𝟐 𝟐 𝟐 𝒉𝟐

𝑬𝒏 = 𝒏𝒙 + 𝒏𝒚 + 𝒏𝒛 = 𝑹𝟐
𝑬𝒏 = 𝑬𝒐 𝑹𝟐 𝟖𝒎𝑳𝟐 𝟖𝐦𝑳𝟐

This gives
𝑬𝒏 𝟏 𝒅𝑬 𝒅𝑹 𝟏 𝟏 𝟏
−𝟐 𝟏 𝟏
𝟐 =
𝑹 = , and 𝒅𝑹 = 𝟏 . 𝟐 . 𝑬𝒏 = .
𝑬𝒏 𝟐
𝑬𝒐 𝟏 𝒅𝑬 𝟐 𝟏
𝑹= 𝟐 𝑬𝒏 𝑬𝒐 ൗ𝟐 𝑬𝟎 𝟐 𝑬𝟎 𝑬𝒏 𝟐
𝑬𝟎
 ENGINEERING PHYSICS
Density of States Derivation
• Thus, number of energy states between E and E+dE
𝟏ൗ 𝑬𝒏
𝝅𝑹𝟐 𝒅𝑹 𝝅 𝑬𝒏 𝒅𝑬 𝝅 𝑬𝒏 𝟐 𝑹𝟐 =
𝑬𝒐
= 𝟏
= . 𝟑 𝒅𝑬
𝟐 𝟒 𝑬𝒐 𝑬 𝑬 ൗ𝟐 𝟒 𝑬 ൗ𝟐 𝒅𝑬
𝒏 𝒐 𝒐
𝒉𝟐 𝒅𝑹 = 𝟏ൗ
• Substituting for 𝑬𝒐 = we get the number of energy 𝟐 𝑬𝒏 𝑬𝒐 𝟐
𝟖𝒎𝑳𝟐
states between E and E+dE as
𝟑ൗ
𝝅 𝟖𝒎𝑳𝟐 𝟏ൗ
𝟐
. 𝟐
𝑬 𝟐 . 𝒅𝑬
𝟒 𝒉
• Considering Pauli’s exclusion principle and two electrons with
opposite spins in each energy state

• The density of states for electrons per unit volume, 𝒈 𝑬 𝒅𝑬 =

𝟑 𝟑
𝟐 𝟏 𝟏
𝝅 𝟖𝒎𝑳 𝟐 𝝅 𝟖𝒎 𝟐
𝟐. 𝑬 𝒅𝑬 =
𝟐 𝑬 𝒅𝑬 (for unit volume, L3 =1)
𝟐
𝟒 𝒉𝟐 𝟐 𝒉𝟐
 ENGINEERING PHYSICS
Variation of Density of States with Energy
𝟑
𝟏
𝝅 𝟖𝒎 𝟐
• Density of states, 𝒈 𝑬 𝒅𝑬 = 𝑬 𝒅𝑬 𝟐
𝟐 𝒉𝟐
• Represents possible number of states of electrons and
occupancy is determined by Fermi factor, Fd
• The distribution of electrons in energy states vary non-
linearly with increasing energy E

Density of states filled in the order of increasing energy

Image courtesy: slideshare
ENGINEERING PHYSICS
Class 24. Quiz …
The concepts which are correct about density of energy states are….
1. Valence electrons can be considered as quantum particles in three
dimensional infinite potential well
2. Three dimensional box problem is analyzed with three one dimensional
eigen functions
3. n-space is used to represent k-space
4. When two of the three nx, ny and nz are equal, the energy states are
degenerate with degeneracy of 3
5. Distribution of electrons in energy states vary non- linearly with
increasing energy E
6. Probability factor represents the value of density of states
ENGINEERING PHYSICS
Class 24. Numericals…
A mono valent metal has 5 x 1028 valence electrons per m3. Estimate
the number of electron energy states per unit volume in the metal
between 2eV and 2.005eV from the concept of the density of states.
The density of states for electrons in a metal gives the
number of electron states per unit volume with energy E

WKT, The density of states for electrons per unit volume,

𝟑
𝝅 𝟖𝒎 𝟐 𝟏
𝒈 𝑬 𝒅𝑬 = 𝑬𝟐 𝒅𝑬
𝟐 𝒉𝟐

E =2.00eV dE = 0.005eV
𝟑
𝟏
𝝅 𝟖𝒎 𝟐
Hence 𝐠 𝐄 𝐝𝐄 = 𝑬 𝒅𝑬
𝟐 = 4.80 x 1025 per m3.
𝟐 𝒉𝟐
ENGINEERING PHYSICS
Class 24. Numericals…
Calculate the density of states with energy between 4eV and
4.005eV in copper with Fermi energy of 7.02eV

The density of states for electrons in a metal gives the

number of electron states per unit volume with energy E

WKT, The density of states for electrons per unit volume,

𝟑
𝝅 𝟖𝒎 𝟐 𝟏
𝒈 𝑬 𝒅𝑬 = 𝑬𝟐 𝒅𝑬
𝟐 𝒉𝟐

E = 4eV = 4*1.6x10-19 J and dE = .005*1.6x10-19 J

mass of electron = 9.1x 10-31 kg

𝟑
𝟏
𝝅 𝟖𝒎 𝟐
Hence 𝐠 𝐄 𝐝𝐄 = 𝑬 𝒅𝑬
𝟐 = -------- per m3.
𝟐 𝒉𝟐
ENGINEERING PHYSICS
Class 24. Conceptual Questions…
Obtain an expression for density of states in a metal using the
concept of quantum free electron gas. Show the dependence of
DoS on energy with a plot.

Discuss the distribution of fermions in the energy states when

they are restricted to move in a cube of side ‘b’

𝟑ൗ
𝝅 𝟖𝒎𝒃𝟐 𝟐
𝟏ൗ
. 𝑬 𝟐 . 𝒅𝑬
𝟐 𝒉𝟐
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit III : Application of Quantum Mechanics to Solids

➢Suggested Reading
1. Fundamentals of Physics, Resnik and Halliday,
Chapter 41
2. Concepts of Modern Physics, Arthur Beiser, Chapter 9
3. Learning material prepared by the department- Unit II

➢Reference Videos

Physics Of Materials-IIT-Madras/lecture-16.html
ENGINEERING PHYSICS
Quantum Model of Valence Electrons

Class #22
• Quantum model of valence electrons (Quantum free
electron gas)
• Fermi energy
• Fermi-Dirac statistics & Fermi factor
ENGINEERING PHYSICS
Quantum model of valence electrons in a metal
• Valence electrons (n≅ 𝟏𝟎𝟐𝟖 𝒎−𝟑 ) in a metal have discrete
energy states following Pauli’s exclusion principle
• These energy states split into discrete and closely spaced
to accommodate all the valence electrons
• At ‘0K’ such an arrangement leads to a sea of energy
levels with a separation as small as ≅ 𝟏𝟎−𝟐𝟎 𝒆𝑽

Fermi energy- energy corresponding

to the highest occupied level at 0K

Image courtesy publicism.info

Quantum model- Split of energy states
ENGINEERING PHYSICS
Fermi Energy
• As per quantum free electron model the upper most
occupied energy state at 0K is termed as Fermi energy
• At 0K all the states below the Fermi energy are filled and
all the states above are empty
 ENGINEERING PHYSICS
Fermi Dirac Statistics and Fermi Factor

• Occupation probabilities of valence electrons estimated using

Fermi Dirac statistics for Fermions
𝟏
• Particles with spin ± are classified as Fermions
𝟐
𝟏
• Fermi factor 𝑭𝒅 = 𝑬−𝑬𝒇 gives the probability of an energy
𝒌𝑩 𝑻
𝒆 +𝟏
state E to be occupied at a temperature T

Image courtesy: springer

 ENGINEERING PHYSICS
Fermi Factor - Variation with energy at T= 0K

Fermi factor at T=0K gives distinct results for E < Ef and E > Ef
• Case #1 E < Ef
𝟏
E-Ef is negative, then Fermi factor 𝑭𝒅 = ∆𝑬
−
𝒆 𝒌𝑩 𝑻 +𝟏
𝟏
At 0K this becomes 𝑭𝒅 = =𝟏
𝒆− ∞ +𝟏
• Thus that at 0K all electron states below Fermi level are filled
E < Ef E > Ef
• Case #2 E > Ef
𝟏
E-Ef is positive, then Fermi factor 𝑭𝒅 = ∆𝑬
𝒆 𝒌𝑩 𝑻 +𝟏
𝟏
At 0K this becomes 𝑭𝒅 = =𝟎
𝒆 ∞ +𝟏
• Thus that at 0K all electron states above Fermi level are empty
 ENGINEERING PHYSICS
Fermi Factor - Variation with temperature
• For the case when T > 0 K and E = Ef

𝟏 𝟏 𝟏
Fermi factor 𝑭𝒅 = 𝑬−𝑬𝒇 = = = 𝟎. 𝟓
𝒆𝟎 +𝟏 𝟐
𝒌𝑩 𝑻
𝒆 +𝟏
• This gives a probability of occupation of 50% for Fermi energy

At temperature T, thermal
energy available is kBT

Fermi Factor - Variation with temperature

Image courtesy: https://.kimiq.com
ENGINEERING PHYSICS
Fermi Factor - Variation with energy (E) and Temperature (T )

For E < EF at T> 0 K,

Fd varies from 0.5 to 1

For E > EF at T > 0 K,

Fd varies from 0.5 to 0

𝟏 𝟏 Worth noting!
𝑭𝒅 = 𝑬−𝑬𝒇 = ∆𝑬
±
𝒌𝑩 𝑻 Total probability for a valence electron =
𝒆
𝒌𝑩 𝑻
+𝟏 𝒆 +𝟏
1 (100%)
Eg: Probability 0.01 eV above EF +
Probability 0.01 eV below EF = 1
E < Ef E > Ef
 ENGINEERING PHYSICS
Fermi Energy – Significance

• Valence electrons above the Fermi level contribute to conductivity

• No contribution from valence electrons below the Fermi level
• Thus, all valence electrons are not conduction electrons
• The effective number of electrons above the Fermi level could be
𝒌𝑻
approximated as 𝒏𝒆𝒇𝒇 = 𝒏
𝑬𝒇
An example:
• Effective number of electrons for copper (Ef = 7eV) at 300K will be
− 𝟐𝟑
𝒌𝑻 𝒌𝑻 = 𝟏. 𝟑𝟖𝒙𝟏𝟎 𝒙𝟑𝟎𝟎 = 𝟎. 𝟎𝟐𝟓 𝒆𝑽
𝒏𝒆𝒇𝒇 = 𝒏 = 𝒏 ∗ 𝟎. 𝟎𝟎𝟑𝟔 = 𝒏 ∗ 𝟎. 𝟑𝟔%
𝑬𝒇
• Thus a small fraction of valence electrons excited above the Fermi
level only contribute to conductivity
ENGINEERING PHYSICS
Fermi Velocity
• Kinetic energy of the conduction electrons will be equal to Fermi
energy
𝟏
𝑬𝒇 = 𝒎𝒗𝒇 𝟐
𝟐
where 𝒗𝒇 is called Fermi velocity
𝟐𝑬𝒇
𝒗𝒇 =
𝒎
• An example: For copper (Ef = 7 eV)
Fermi velocity, 𝒗𝒇 = 𝟏. 𝟎𝟔 𝒙 𝟏𝟎𝟔 𝒎𝒔−𝟏

• Fermi velocity is greater than the thermal velocity and drift

velocity (from CFET) of electrons
Thermal velocity, typical order is 105 m/s
Typical order of Vd for an electric field of 1 V/m is 10-4 m/s
ENGINEERING PHYSICS
Fermi Temperature
• As per quantum free electron model, valence electrons near
Fermi energy only are excited into conduction band
• At temperature T, thermal energy available is kBT
• Thermal energy required to excite the last electron at the bottom
of the energy band at temperature Tf is kBTf
Then,
𝑬𝒇 = 𝒌𝑩 𝑻𝒇
• This temperature is termed Fermi temperature

• An example - For Copper (Ef = 7 eV)

Fermi temperature ≈ 81000K

• Obvious that this is only a representative temperature which

highlights all valence electrons cannot be conduction electrons
ENGINEERING PHYSICS
Class 22 . Quiz …
The concepts which are correct about quantum free electron
gas are….

1. Sommerfeld model treats the free electrons as Fermi particles

2. According to QFET all free electrons participate in
the conduction process
3. At 0K uppermost filled level will be one unit more than Fermi
energy
4. The value of Fermi distribution function at absolute zero is 1
under the condition E > EF
ENGINEERING PHYSICS
Class 23 . Quiz …
The concepts which are correct about quantized valence
electrons are….
1. As the temperature increases, Fermi factor at Fermi level
decreases from 0.5 to 0
2. Occupancy probability is zero above Fermi level at 0K
3. Occupancy probability is less than 50% above Fermi level at room
temperatures
4. Fermi temperature is hypothetical for monovalent metals only
5. Fermi velocity is smaller than drift velocity but greater than
thermal velocity
 ENGINEERING PHYSICS
Class 23 . Numericals…
Estimate the probability of occupancy of an energy level 0.1 eV above
and below the Fermi level for Copper with Ef= 7.0eV at 1000K
𝟏
Fermi factor 𝑭𝒅 = 𝑬−𝑬𝒇 𝟎. 𝟏 𝒆𝑽 𝒂𝒃𝒐𝒗𝒆 𝑬𝒇, 𝑬 − 𝑬𝒇 = 𝚫𝑬 = 𝟎. 𝟏 𝒆𝑽 𝒊𝒔 + 𝒗𝒆
𝒌𝑩 𝑻
𝒆 +𝟏

Above means, E > Ef

𝟏 𝚫𝑬 = 𝟎. 𝟏𝒙𝟏. 𝟔𝒙𝟏𝟎−𝟏𝟗 𝑱, 𝒌𝑩 = 𝟏. 𝟑𝟖𝒙𝟏𝟎−𝟐𝟑 , 𝑻 = 𝟏𝟎𝟎𝟎 𝑲
E-Ef is positive, then Fermi factor 𝑭𝒅 = ∆𝑬
+ 𝒌 𝑻
𝒆 𝑩 +𝟏

Below means, E < Ef 𝑬 − 𝑬𝒇 𝚫𝑬

=+ 𝒂𝒏𝒅 𝒕𝒉𝒖𝒔, 𝑭𝒅 = 𝟎. 𝟐𝟑𝟖 𝒐𝒓 𝟐𝟑. 𝟖 %
E-Ef is negative, then Fermi factor 𝑭𝒅 =
𝟏 𝒌𝑩 𝑻 𝒌𝑩 𝑻
∆𝑬
− 𝒌 𝑻
𝒆 𝑩 +𝟏

Logically if probability above is 30%, then corresponding 𝑻𝒉𝒖𝒔, 𝟎. 𝟏 𝒆𝑽 𝒃𝒆𝒍𝒐𝒘 𝒎𝒖𝒔𝒕 𝒃𝒆 𝟏𝟎𝟎 − 𝟐𝟑. 𝟖 = 𝟕𝟔. 𝟐%
probability below must be 70%!

Logically if probability above is 30%, then corresponding

probability of non-occupancy below must also be 30%!
 ENGINEERING PHYSICS
Class 23 . Numericals…
Find the temperatures at which the occupancy of an energy state 0.3
eV above the Fermi level has an occupancy probability of 0.05
𝟏
Fermi factor 𝑭𝒅 = 𝑬−𝑬𝒇
𝒌𝑩 𝑻
𝒆 +𝟏

1 1
𝑻𝒉𝒖𝒔, 𝑻 = . . 𝑬 − 𝑬𝒇
𝒌𝑩 𝒍𝒏 1
−1
𝑭𝒅

𝑺𝒖𝒃𝒔𝒕𝒊𝒕𝒖𝒕𝒊𝒐𝒏 𝒈𝒊𝒗𝒆𝒔, 𝑻 = 1181.3 𝑲

ENGINEERING PHYSICS
Class 23 . Numericals…
Estimate the energy for which the probability of occupation at 300K is
0.1 for copper with Fermi energy of 7.0eV. Comment on the
probability of this level to be 0.5.
𝟏
Fermi factor 𝑭𝒅 = 𝑬−𝑬𝒇
𝒌𝑩 𝑻
𝒆 +𝟏

𝑬 − 𝑬𝒇 1
𝑶𝒏 𝒓𝒆𝒂𝒓𝒓𝒂𝒏𝒈𝒊𝒏𝒈, = 𝒍𝒏 −1
𝒌𝑩 𝑻 𝑭𝒅

1
𝑻𝒉𝒖𝒔, 𝑬 = 𝑬𝒇 + 𝒌𝑩 𝑻. 𝒍𝒏 −1
𝑭𝒅

𝑺𝒖𝒃𝒔𝒕𝒊𝒕𝒖𝒕𝒊𝒐𝒏 𝒈𝒊𝒗𝒆𝒔, E = 1.129x10 − 18 J = 7.056 eV

Comment on the probability of this level to be 0.5 – This

probability can never attain for any energy E (𝟕. 𝟎𝟓𝟔 𝐞𝐕 > 7 eV)
greater than Ef as 0.5 is the probability for E = Ef alone!
ENGINEERING PHYSICS
Class 24. Numericals…
The energy states below Ef in the range KT are emptied at T
> 0K, and Fd lies between 1 to 0.5. Justify. If the Fermi
energy of Silver is 5 eV, then calculate the effective number
of electrons at 400 K. Given that n = 2x1028/m3

𝒌𝑻
𝒏𝒆𝒇𝒇 =𝒏
𝑬𝒇
ENGINEERING PHYSICS
Class 23 . Conceptual Questions…
Show that the sum of the probability of occupancy of an energy
level ΔE above the Fermi level and that of ΔE below the Fermi level
is unity.

Above means, E > Ef

𝟏
E-Ef is positive, then Fermi factor 𝑭𝒅 = ∆𝑬 -------1
+
𝒆 𝒌𝑩 𝑻 +𝟏

Below means, E < Ef

𝟏
E-Ef is negative, then Fermi factor 𝑭𝒅 = ∆𝑬 -------2
− 𝒌 𝑻
𝒆 𝑩 +𝟏

Eqn 1 + Eqn 2 = unity

 ENGINEERING PHYSICS
Class 23 . Conceptual Questions…
What are Fermions? Discuss the variation of Fermi factor with
energy and temperature. Represent the same graphically.

Discuss how quantum mechanics describes valence electrons in

a metal. What are the factors that determine the occupancy of
the electron states? Which energy state of electron would have
an occupation probability of 50% at any temperature > 0K?
• Valence electrons occupy discrete energy states following • Fermi factor 𝑭𝒅 =
𝟏
gives the probability of
𝑬−𝑬𝒇
Pauli’s exclusion principle. Only electrons close to Fermi 𝒌𝑩 𝑻
𝒆 +𝟏
level participate in conduction process an energy state E to be occupied at a temperature T

• Occupation probability described by the Fermi Dirac The Fermi level has probability of occupation of 50% for
distribution function applicable to fermions any temperature > 0K
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629
ENGINEERING PHYSICS

Department of Science and Humanities

ENGINEERING PHYSICS
Unit II : Quantum Mechanics and Simple Quantum Mechanical Systems

➢Suggested Reading

1. Fundamentals of Physics, Resnik and Halliday, Chapter 41

2. Solid state Physics, S.O Pillai, Chapter 6

3. Concepts of Modern Physics, Arthur Beiser, Chapter 9

4. Learning material prepared by the department-Unit II

➢Reference Videos
1. Physics Of Materials-IIT-Madras/lecture-24.html
ENGINEERING PHYSICS
Density of Occupied States and Electron Concentration

Class #25
• Density of occupied states
• Valence electron concentration in terms of density of
occupied states
• Fermi energy in terms of electron concentration
• Average energy of valence electrons
 ENGINEERING PHYSICS
Density of Occupied States

• Product of density of states (g(E)) and occupancy probability (Fd)

𝐍 𝐄 = 𝐠 𝐄 ∗ 𝐅𝐝

• Probability that an energy state is occupied

𝟏
𝐅𝐝 = 𝐄−𝐄𝐟
𝟏 + 𝐞 𝐤𝐁𝐓

(Same as multiplying g(E) by a number between 0 and 1 depending

the energy relative to the Fermi energy)
 ENGINEERING PHYSICS
Expression for Free Electron Concentration
• Density of occupied states (𝐍 𝑬 = 𝐠 𝑬 ∗ 𝑭𝒅 ) evaluated for all
levels from 0 to Ef provides total count of electrons

𝑬𝒇
• Free electron concentration 𝐧 = ‫𝐍 𝟎׬‬ 𝑬 𝐝𝐄
𝑬
= ‫𝐠 𝒇 𝟎׬‬ 𝑬 ∗ 𝑭𝒅 𝐝𝐄
𝑬
= ‫𝐠 𝒇 𝟎׬‬𝑬 𝐝𝐄
(Probability Factor =1 for all energy levels below Ef at 0K)

Substituting for density of states,

𝟑 𝟑
𝟏 𝟑ൗ
𝝅 𝟖𝒎 𝟐 𝑬𝒇 𝝅 𝟖𝒎 𝟐 𝟐
n= ‫𝑬 𝟎׬‬ 𝟐 𝒅𝑬 = 𝑬𝒇
𝟐 𝒉𝟐 𝟑 𝒉𝟐
 ENGINEERING PHYSICS
Estimation of Fermi Energy
𝑬
• Free electron concentration 𝐧 = ‫𝐄𝐝 𝑬 𝐍 𝒇 𝟎׬‬

𝟑
𝟐 𝑬𝒇
𝝅 𝟖𝒎 𝟏
= න 𝑬𝟐 𝒅𝑬
𝟐 𝒉𝟐 𝟎
𝟑
𝝅 𝟖𝒎 𝟐 𝟑ൗ
= 𝑬𝒇 𝟐
𝟑 𝒉𝟐

• Fermi energy, if the number of valence electrons

per unit volume is known
𝟐ൗ
𝟑 𝟑 𝒉𝟐 𝟐ൗ
𝑬𝒇 = 𝒏 𝟑
𝝅 𝟖𝒎
 ENGINEERING PHYSICS
Variation of Density of Occupied States with Energy
Three distinct results
• States below Ef – kBT
completely occupied (Fd = 1)
• States in the range of kBT below Ef :
Emptied (Fd between 1 and 0.5)
• States above Ef in the range kBT
Occupied (Fd between 0.50 and 0.00)

Variation of N(E) with E

Image courtesy: slideshare
 ENGINEERING PHYSICS
Average Energy of Valence Electrons

• Distribution of valence electrons show a non linear variation

• Average energy will not be simple average of electron’s max
and min energy
• Graph of N(E) vs Energy
• The total energy of all electrons in filled states up to Ef is the
summation of all N(E)*E

Graph of N(E) vs E
 ENGINEERING PHYSICS
Estimation of Average Energy
• The average energy of the electron at 0K

𝐭𝐨𝐭𝐚𝐥 𝐞𝐧𝐞𝐫𝐠𝐲 𝐨𝐟 𝐚𝐥𝐥 𝐞𝐥𝐞𝐜𝐭𝐫𝐨𝐧𝐬 𝐢𝐧 𝐝𝐢𝐟𝐟𝐞𝐫𝐞𝐧𝐭 𝐞𝐧𝐞𝐫𝐠𝐲 𝐬𝐭𝐚𝐭𝐞𝐬

=
𝐭𝐨𝐭𝐚𝐥 𝐧𝐮𝐦𝐛𝐞𝐫 𝐨𝐟 𝐞𝐥𝐞𝐜𝐭𝐫𝐨𝐧𝐬

𝐄
‫𝐄𝐝 𝐝𝐅∗𝐄∗ 𝐄 𝐠 𝐟 𝟎׬‬
= 𝐄
‫𝐄𝐝 𝐝𝐅∗ 𝐄 𝐠 𝐟 𝟎׬‬

𝟑 𝟏
𝛑 𝟖𝐦 𝟐 𝐄𝐟
𝟐 𝐡𝟐
‫𝐄∗𝐄𝐝 𝟐 𝐄 𝟎׬‬
= 𝟑 𝟏
𝛑 𝟖𝐦 𝟐 𝐄𝐟
𝟐 𝐡𝟐
‫𝐄𝐝 𝟐 𝐄 𝟎׬‬

𝟑
• This gives, average energy 𝐄 = 𝑬𝒇 = 𝟎. 𝟔 ∗ 𝑬𝒇
𝟓
ENGINEERING PHYSICS
Class 25 . Quiz …
The concepts which are correct about are….

1. The occupancy of the energy states is determined by the factor

N(E)= g(E)x F(E)
2. Density of occupied states evaluated for all states between 0 to Ef
is an estimation of valence electron concentration
3. Fermi energy can be estimated in terms of density of occupied
states
4. Average energy of valence electron is the simple average of
minimum and maximum energy
5. Average energy of valence electrons with highest filled energy as
Fermi energy is 40% of Fermi energy
ENGINEERING PHYSICS
Class 25 . Numericals …

Determine the free electron concentration, the Fermi velocity

for electrons in a metal with Fermi energy of 5.10 eV.

𝐅𝐫𝐞𝐞 𝐞𝐥𝐞𝐜𝐭𝐫𝐨𝐧 𝐜𝐨𝐧𝐜𝐞𝐧𝐭𝐫𝐚𝐭𝐢𝐨𝐧 𝐫𝐞𝐥𝐚𝐭𝐞𝐝 𝐭𝐨 𝐅𝐞𝐫𝐦𝐢 𝐞𝐧𝐞𝐫𝐠𝐲 𝐚𝐬,

𝟑
𝝅 𝟖𝒎 𝟐 𝟑ൗ
𝐧= 𝑬𝒇 𝟐
𝟑 𝒉𝟐

with Fermi energy of 5.10 eV, n = 5.211 x 1028 m-3

𝟐𝑬𝒇
Fermi velocity 𝒗𝒇 = = 𝟏. 𝟑𝟒𝒙𝟏𝟎𝟔 𝒎/𝒔
𝒎
ENGINEERING PHYSICS
Class 25 . Numericals …
Determine the Fermi energy and Fermi temperature for copper
with 8.5 x 1028 free electrons per unit volume.

𝐅𝐫𝐞𝐞 𝐞𝐥𝐞𝐜𝐭𝐫𝐨𝐧 𝐜𝐨𝐧𝐜𝐞𝐧𝐭𝐫𝐚𝐭𝐢𝐨𝐧 𝐫𝐞𝐥𝐚𝐭𝐞𝐝 𝐭𝐨 𝐅𝐞𝐫𝐦𝐢 𝐞𝐧𝐞𝐫𝐠𝐲 𝐚𝐬,

𝟑
𝝅 𝟖𝒎 𝟐 𝟑ൗ
𝐧= 𝑬𝒇 𝟐
𝟑 𝒉𝟐

𝟐ൗ
𝟑 𝟑 𝒉𝟐 𝟐 𝑬𝒇 = 𝟏. 𝟏𝟑𝒙𝟏𝟎
− 𝟏𝟖
𝑱 = 𝟕. 𝟎𝟕 𝒆𝑽
𝑬𝒇 = 𝒏 ൗ𝟑
𝝅 𝟖𝒎

𝑬𝒇 = 𝒌𝑩 𝑻𝒇 S𝒖𝒃𝒔𝒕𝒊𝒕𝒖𝒕𝒊𝒐𝒏 𝒈𝒊𝒗𝒆𝒔, 𝑻𝒇 = 𝟖𝟏𝟗𝟔𝟐 𝑲

ENGINEERING PHYSICS
Class 25 . Numericals …
Find the electron density in a metal having Fermi energy of 5.5
eV.

𝐅𝐫𝐞𝐞 𝐞𝐥𝐞𝐜𝐭𝐫𝐨𝐧 𝐜𝐨𝐧𝐜𝐞𝐧𝐭𝐫𝐚𝐭𝐢𝐨𝐧 𝐫𝐞𝐥𝐚𝐭𝐞𝐝 𝐭𝐨 𝐅𝐞𝐫𝐦𝐢 𝐞𝐧𝐞𝐫𝐠𝐲 𝐚𝐬,

𝟑
𝝅 𝟖𝒎 𝟐 𝟑ൗ
𝐧= 𝑬𝒇 𝟐
𝟑 𝒉𝟐

To convert Fermi energy of 5.5 eV into J

ENGINEERING PHYSICS
Class 25 . Numericals …
The Fermi energy of silver is 5.5 eV. What is the mean energy of
a free electron in sliver at 0K? Also, at what temperature a
classical free particle will have this kinetic energy?

𝟑
• average energy 𝐄 = 𝑬𝒇 = 𝟎. 𝟔 ∗ 𝑬𝒇
𝟓

𝟑
𝒌𝑩 𝑻 = 𝑬𝒂𝒗𝒈
𝟐
ENGINEERING PHYSICS
Class 25 . Numericals …
Calculate the density of occupied states for copper, with respect
to an energy level which is 0.026 eV above the Fermi level at
temperature 300 K. Assume Fermi energy of copper as 7 eV.

• Product of density of states (g(E)) and occupancy

probability (Fd)

𝐍 𝐄 = 𝐠 𝐄 ∗ 𝐅𝐝

• The density of states for electrons per unit volume,

𝟑
𝝅 𝟖𝒎 𝟐 𝟏
𝒈 𝑬 𝒅𝑬 = 𝑬𝟐 𝒅𝑬
𝟐 𝒉𝟐

𝟏
Fermi factor 𝑭𝒅 = 𝑬−𝑬𝒇
𝒌𝑩 𝑻
𝒆 +𝟏
ENGINEERING PHYSICS
Class 25 . Numericals …

The Fermi temperature of two metals A and B are in the ratio 1.103.
If the electron concentration of metal A is 5.86x1028 m-3, find the
Fermi velocity of electrons in metal B. (Ans: 1.325 x 106 ms-1.)
𝑻𝑭𝑨 𝑼𝒔𝒊𝒏𝒈 𝒏𝑨 𝒘𝒆 𝒄𝒂𝒏 𝒆𝒗𝒂𝒍𝒖𝒂𝒕𝒆 𝑬𝑭𝑨
= 𝟏. 𝟏𝟎𝟑
𝑻𝑭𝑩 𝟑
𝟐ൗ
𝟑 𝒉𝟐 𝟐
𝑬𝒇 = 𝒏 ൗ𝟑
𝝅 𝟖𝒎
𝟐ൗ
𝟑 𝟑 𝒉𝟐 𝟐
𝑬𝒇𝑨 = 𝒏𝑨 ൗ𝟑 𝑬𝑭𝑨 = 𝟓. 𝟓𝟐 𝒆𝑽
𝝅 𝟖𝒎

𝑻𝑭𝑨 𝑬𝑭𝑨 𝑽𝟐𝑭𝑨

= = = 𝟏. 𝟏𝟎𝟑 𝟐𝑬𝑭𝑨
𝑻𝑭𝑩 𝑬𝑭𝑩 𝑽𝟐𝑭𝑩 𝑽𝑭𝑨 = = 𝟏. 𝟑𝟗𝟑𝒙𝟏𝟎𝟔 𝒎Τ𝒔
𝒎
𝑽𝟐𝑭𝑨
𝑽𝟐𝑭𝑩 = 𝒈𝒊𝒗𝒆𝒔, 𝑽𝑭𝑩 = 𝟏. 𝟑𝟐𝟔𝒙𝟏𝟎𝟔 𝒎Τ𝒔
𝟏. 𝟏𝟎𝟑
ENGINEERING PHYSICS
Class 25 . Conceptual questions…

Discuss the concept of density of states of electrons in metals.

How do we find the distribution of occupied states at a
temperature > 0K. Support the answer with suitable graphs.
• Density of states (g(E).dE) gives number of available
electron states per unit volume per unit energy range at a
certain energy level, E

• The density of states for electrons per unit volume,

𝟑
𝝅 𝟖𝒎 𝟐 𝟏
𝒈 𝑬 𝒅𝑬 = 𝑬𝟐 𝒅𝑬 (for unit volume, L3 =1)
𝟐 𝒉𝟐

• Product of density of states (g(E)) and occupancy

probability (Fd)

𝐍 𝐄 = 𝐠 𝐄 ∗ 𝐅𝐝
THANK YOU

Muhammad Faisal, Ph.D.

Associate Professor, Department of Science and Humanities

[email protected]
+91 80 50829629