UNIT – V

BASIC AND APPLIED QUANTUM MECHANICS

5.1. Introduction
5.2. Photons and light waves
5.3. Electrons and matter waves
5.4. Concept of wave function
5.5. Schrodinger’s wave equations (Time independent and time dependent)
5.6. Particle in an infinite potential well (1D, 2D and 3D)
5.7. Nanomaterials (0D, 1D, 2D and 3D)
5.8. Single electron transistor
5.9. Quantum states
5.10. Qubits
5.11. CNOT gate
5.12. Quantum cellular automata

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5.1 Introduction

• When classical mechanics is applied to atomic-level particles, it is unable to explain real

behavior. On the other hand, classical mechanics has been successful in explaining the
motions of objects that can be directly observed or studied with tools like microscopes.
• Consequently, atomic-level phenomena such as the motion of an electron within an atom
cannot be explained by classical mechanics.
• In 1900, Max Planck introduced the formula that explained a number of phenomena,
including black body radiation, the photoelectric effect, X-ray emission, etc.
E = nhυ, here, n = 0,1,2,3…

h – Planck’s constant = 6.625 x 10-34J/s

• Known as the "Quantum hypothesis". This open a door to the advent of modern physics
and the given above formula applies to the entire microscopic universe.

PHOTONS AND LIGHT WAVES - (Duality of radiation and Matter)

Understanding the distinction between a wave and a particle makes it simple to understand
the radiation's wave and particle duality.
Wave
• An oscillation is the source of a wave, which is dispersed over a wide area of space. No
wave can be found at a specific location, and no wave can carry mass.
• A wave is actually a dispersed disturbance with the following characteristics: phase δ,
intensity I, wavelength λ, frequency γ, and amplitude A.
• Two or more waves must exist at the same time and location in order for the phenomena
of polarization, diffraction, and interference to occur.
• It is evident that several particles are unable to occupy the same space simultaneously.
Thus, it must be concluded that radiation follows a wave-like behavior.

Particle
• A particle has mass and is situated at a certain location. It has the ability to relocate.
When a particle accelerates, it gains energy; when it slows down, it loses energy.
• A particle's mass (m), momentum (p), velocity (v), and energy (E) define it.
• The wave nature of radiation could not be used to explain the spectrums of black body
radiation, Compton effect, photoelectric effect, etc.
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 • These occurrences proved that photons or quanta, which are forms of radiant energy,
interact with matter. According to Planck's quantum theory, radiation therefore exhibits
particle-like behaviour.
• As a result, radiation exhibits wave and particle behaviour at different periods. The
radiation's wave-particle duality is now widely acknowledged.

ELECTRONS (Particles) AND MATTER WAVES (Concept of Matter Waves)

• The Compton effect convincingly establishes the particle nature of matter. It is generally
understood that protons, neutrons, electrons, and atoms make up matter. They constitute
the foundation for all atom forms.
• The wave-particle duality of radiation was demonstrated by electromagnetic theory and
quantum theory. Nevertheless, despite the effectiveness of this radiation duality, Bohr's
theory of atomic structure's postulates remained unanswered for a very long time.
• On this background, in 1924 De Broglie extended the idea of dual nature of radiation to
matter and proposed that matter possesses particle as well as wave characteristics.
• He postulated that a unique class of waves known as "Pilot waves" govern the motion of
electrons inside atoms.
• De Broglie was inspired by the manifestations of nature and the wave-particle duality of
radiation when he introduced the idea of matter waves.

The concept of wave nature of matter is developed from the dual character of radiation which
sometimes behaves as a wave and at other times as a particle.

De – Broglie Hypothesis

Louis de Broglie made the courageous and groundbreaking proposal that matter, or
material particles, have dual (two) qualities, i.e., they are both particle-like and wave-like, just like
light radiation.
In addition to being particles, moving matter particles like electrons, protons, neutrons, atoms, and
molecules also show wave properties.
The de Broglie hypothesis states that waves are always connected to a moving particle (Fig).

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 Fig. Particle and wave nature of moving particle

• In nature, there are only two ways that energy can move: through waves and particles.
The only elements in our cosmos are matter and light radiation.
• Matter and waves must be symmetrical since nature loves symmetry.
• Material particles (protons, electrons, etc.) should behave like both waves and particles if
electromagnetic radiation, such as light and X-rays, can function like both.
• Every particle moving is always connected to a wave.

de – Broglie waves and its wavelength

The waves associated with the moving particles are called de-Broglie waves.

According to Planck's theory, a photon with frequency v has energy provided by

E = hν ------------------ (1)
Einstein's mass-energy relation states
E = m𝑐 2 ---------------- (2)
Here, m – mass of the photon, c – velocity of the photon.

Equating (1) and (2), we have

hν = 𝑚𝑐 2 --------------- (3)
ℎ𝑐
= 𝑚𝑐 2


ℎ𝑐
 = 𝑚𝑐 2

ℎ
 = 𝑚𝑐

Since 𝑚𝑐 = p momentum of a photon

ℎ
Then  = 𝑝 ------------ (4)

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For any moving particle of mass m and velocity v, the wavelength of the de-Broglie wave is given
by
ℎ ℎ
 = 𝑝 = 𝑚𝑣 ------------ (5)

This equation (5) is known as de –Broglie’s wave equation.

de – Broglie wavelength in terms of energy

1
We know that the kinetic energy E = 2 𝑚𝑣 2

Multiplying by m on both sides we get,

1
mE = 2 𝑚2 𝑣 2 -------------- (6)

𝑚2 𝑣 2 = 2mE

Taking square root on both sides,

√𝑚2 𝑣 2 = √2mE

mv = √2mE ------------ (7)

ℎ
We know that  = 𝑚𝑣

Substituting (7) in (5) we get de-Broglie wavelength value

𝒉
=
√𝟐𝐦𝐄

de – Broglie’s wavelength in terms of accelerating potential associated with electrons

An electron with charge e obtains velocity v when it is accelerated by a potential difference of V

volts, and as a result,

Workdone on the electron = eV --------------- (1)

1
The electron's kinetic energy is obtained by converting this effort into 𝑚𝑣 2
2

Work done = kinetic energy

1
eV = 2 𝑚𝑣 2 --------------- (2)

2eV = 𝑚𝑣 2

𝑚𝑣 2 = 2eV

Multiply by m on both sides, we have

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 𝑚2 𝑣 2 = 2meV

Taking square root on both sides, we get

√𝑚2 𝑣 2 = √2meV

mv = √2meV -------------------------- (3)

We know that de – Broglie’s wavelength is

ℎ
 = 𝑚𝑣 ------------------ (4)

Substituting equation (3) in equation (4), we get

ℎ
= ------------ (5)
√2meV

Substituting given values, we obtain

h = 6.625 x 10-34Js, e = 1.6 × 10−19C, m = 9.1×10−31kg

6.625 x 10−34
 = √2×9.1×10−31
× 1.6 × 10−19 ×V

12.25
= × 10−10 m
√𝑉

12.25
= Å
√𝑉

Properties of Matter Waves

1. A particle's associated wavelength is longer when its mass is smaller.

2. A particle with a small velocity will have a longer wavelength associated with it.

3. The wave becomes uncertain if v = 0, and it becomes zero if v = ∞. This suggests that particle
motion is the source of de Broglie waves.

4. The charge of the particles has no bearing on these waves. That they are not electromagnetic
waves is demonstrated by this.

5. Because de Broglie's waves rely on the velocity of the material particle, their velocity is not
constant.

Concept of Wave function

According to the theory of quantum mechanics, there is a function that is dependent on
the state of the physical universe. Wave function is the name of the function.

It is also conjectured to hold every piece of information that could exist regarding the
system. It is also known as the state function as a result.
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 The wave function can change in relation to time as well as the physical system's location
coordinates. The Greek letter ᴪ (pronounced as psi) in capital letters is used to indicate the entire
wave function.

The wave function is symbolized by the lowercase Greek letter ψ if its variation is just
with position (i.e., space) and not with time.

The total wave function can be represented by the equation,

ᴪ = Aei(k𝑥−ωt) -------------- (1)
Here, A is a constant, ω is the angular frequency of the wave.

After separating the components that depend on space and time, ᴪ can be written as
ᴪ = Aeik𝑥 . ei−ωt -------------- (2)
After removing the time-dependent portion from the preceding equation, the remaining portion
can be represented as a space-dependent wave function.
ψ = Aeik𝑥 -------------- (3)
The wave function ψ is independent of time. Currently, the complete wave function is expressed
as
ᴪ = ψ e−iωt
In quantum physics, a particle's wave-like characteristics are explained by its wave function.
The Schrodinger equation is a fundamental equation that must be solved in order to obtain it. In
order to solve the Schrodinger equation, one must be aware of

(i) potential energy of the particle

(ii) initial conditions and
(iii) boundary conditions
SCHRODINGER WAVE EQUATION
The Schrodinger wave equation provides a mathematical representation of a
particle's wave nature. It is the fundamental matter-wave equation of motion.
A wave equation of some kind should exist to explain the behavior of the particle if it
possesses wave qualities.

Schrodinger established a connection between the classical wave equation for a moving
particle and the expression of de-Broglie wavelength. He developed a new equation for waves.
The Schrodinger wave equation is the name given to this wave equation.

Forms of Schrodinger wave equation

There are two forms of Schrodinger wave equations. They are
a) Time independent wave equation
b) Time dependent wave equation

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The time-dependent Schrodinger equation is one such general formula that handles the
position as well as the time variations of the wave function.
It has the imaginary quantity "i."
The other one is limited to steady state circumstances, where the wave function can only
vary with respect to position and not with respect to time. It is less complicated than the other one
and is known as the time-independent Schrodinger equation. The imaginary quantity (I) is not
involved in it.

Thus, by solving the related types of Schrodinger equations, we obtain the corresponding wave
functions. There is always complexity in the wave functions that are derived as solutions to the
time-dependent Schrodinger equation.

However, although they might be complex under specific circumstances, the wave functions that
are produced as solutions of the time-independent Schrodinger equation are not always complex
functions.

SCHRODINGER TIME INDEPENDENT WAVE EQUATION (Derivation)

Think about a wave connected to a particle in motion.
Let the coordinates of the particle and the ψ wave function for de Broglie's wave at any
given time t be represented by the variables x, y, and z.

For wave motion, the classical differential equation is provided by

𝜕ψ2 𝜕ψ2 𝜕ψ2 1 𝜕ψ2
+ 𝜕𝑦2 + 𝜕𝑧 2 = ---------- (1)
𝜕𝑥 2 𝑣 2 𝜕𝑥𝑡 2

Here, v is wave velocity

The equation (1) is written as
1 𝜕ψ2
∇2 ψ = 𝑣 2 𝜕𝑥𝑡 2 ---------- (2)
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 𝜕 𝜕 𝜕
where ∇2 = 𝜕𝑥2 + 𝜕𝑦2 + 𝜕𝑧2 is the Laplacian operator

The solution of equation (2) gives ψ as periodic variations in terms of time t.

ψ(x, y, z) = ψ0 (x, y, z)e−iωt
ψ = ψ0 e−iωt ---------- (3)
The amplitude at the point under examination in this instance is represented by ψ0 (x, y, z),
which is a function of only x, y, and z. The angular velocity of the wave is represented by ω.

Differentiating the eqn (3) with respect to t, we get

𝜕ψ
= −𝑖 ωψ0 e−iωt
𝜕𝑡
Again differentiating with respect to t, we have
𝜕2ψ
= (−𝑖ω)(−𝑖ω)ψ0 e−iωt
𝜕𝑡 2
𝜕2ψ
= 𝑖 2 ω2 ψ0 e−iωt
𝜕𝑡 2
𝜕2 ψ
= −ω2 ψ ----------- (4)
𝜕𝑡 2

Substituting equation (4) in equation (2) we have

2
ω2
∇ ψ= − 2 ψ
v
ω2
∇2 ψ + ψ=0 ------------ (5)
v2
v
We know that angular frequency ω = 2πυ = 2π (λ)

Here, υ is the frequency

ω 2π
(v) = ( λ ) -------------(6)
Squaring the equation (6) on both sides, we obtain
ω2 22 π2 4π2
( v2 ) = ( ) = ( λ2 ) ---------------- (7)
λ2

Substituting equation (7) in equation (5), we have

4π2
∇2 ψ + ψ=0 ---------------- (8)
λ2

h
Substituting λ = in equation (8), we have following equation
mv

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 2
4π2
∇ ψ+ ψ=0
h2
m2 v 2
4π2 m2 v2
∇2 ψ + ψ=0 ---------------- (9)
h2

1
If E is total energy of the particle, V is potential energy and 2 𝑚𝑣 2 is kinetic energy, then

Total energy = Potential energy + Kinetic energy

1
E = V + 2 𝑚𝑣 2

1
or E-V = 2 𝑚𝑣 2

2 (E-V) = 𝑚𝑣 2

𝑚𝑣 2 = 2 (E-V)

Multiplying by m on both sides, we have

𝑚2 𝑣 2 = 2m (E-V) ------------------ (10)

Substituting equation (10) in equation (9), we get

4π2
∇2 ψ + (2m(E − V)) ψ = 0
h2
8π2 𝑚
∇2 ψ + (E − V)ψ = 0 -------------------- (11)
h2

For three dimensions, the equation (11) is referred to as the Schrodinger time independent wave
equation.
ℎ
Now, let's present ħ = 2𝜋 in equation (11),

ℎ2
ħ2 = 4𝜋2,

ℎ2 = 4𝜋 2 ħ2 ---------- (12)

Here, ħ is reduced Planck constant.

Substitute equation (12) in equation (11), we get

8π2 𝑚
∇2 ψ + (E − V)ψ = 0
4𝜋 2 ħ2
2𝑚
∇2 ψ + (E − V)ψ = 0 ---------------- (13)
ħ2

There is no term for time in this equation. This is why the equation is referred to as time
independent.
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Schrodinger time independent equation (13) reduces to if we take into account one-dimensional
motion, that is, particle moving along only the X - direction.

𝑑2ψ 2𝑚
+ (E − V)ψ = 0 ------------------- (14)
𝑑𝑥 2 ħ2

SCHRODINGER TIME DEPENDENT WAVE EQUATION

From the Schrodinger time independent wave equation, the Schrodinger time dependent wave
equation is obtained.

The classical differential equation of wave motion can be solved as follows:

Ψ(𝑥, 𝑦, 𝑧) = Ψ0 (𝑥, 𝑦, 𝑧) 𝑒 −𝑖ωt --------------------- (1)

Differentiate equation (1) with respect to time t, we get

𝜕ψ
= −𝑖 ωψ0 e−iωt --------------------- (2)
𝜕𝑡
𝜕ψ
= −𝑖 (2πν) ψ0 e−iωt
𝜕𝑡
𝜕ψ
= −2𝜋𝑖𝜈ψ
𝜕𝑡
𝜕ψ 𝐸
= −2𝜋𝑖 ℎ ψ
𝜕𝑡
𝜕ψ 𝐸
= −2𝜋𝑖 2𝜋ħ ψ
𝜕𝑡
𝜕ψ 𝐸
= −𝑖 ħ ψ --------------------- (3)
𝜕𝑡

Multiplying I on both sides in equation (3), we have

𝜕ψ 𝐸
𝑖 = −𝑖 (𝑖) ψ
𝜕𝑡 ħ
𝜕ψ 𝐸
𝑖 = −𝑖 2 ψ, 𝑖 2 = −1
𝜕𝑡 ħ
𝜕ψ 𝐸
𝑖 = ψ
𝜕𝑡 ħ
𝜕ψ
𝑖ħ = Eψ -------------------- (4)
𝜕𝑡

Schrodinger time independent wave equation is

ħ2 2
− ∇ ψ + Vψ = Eψ
2𝑚
Substituting Equation (4) in above equation, we have

ħ2 2 𝜕ψ
− ∇ ψ + Vψ = 𝑖ħ
2𝑚 𝜕𝑡

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 ħ2 2 𝜕ψ
(− ∇ + V) ψ = 𝑖ħ
2𝑚 𝜕𝑡
Or
H𝛙=E𝛙 ------------- (5)
ħ2
Here, H = (− ∇2 + V) is Hamiltonian operator
2𝑚
𝜕
E = 𝑖ħ 𝜕𝑡 is energy operator.

The equation (5) is known as Schrodinger time dependent wave equation.

Meaning or Physical significance of wave function 𝛙

1. Wave function ψ is the variable quantity that describes de Broglie waves.

2. It establishes a statistical link between the particle nature and the related wave nature.
3. The probability of location of the particle at that instant and at that position is related to the
wave function associated with a moving particle at that specific moment in time and
location in space.
4. The probability of not finding the particle is represented by 0, while the probability of
finding the particle is represented by 1.
∭ ψ∗ ψ dτ = 1 if particle is present
= 0 if particle is not present
∗
where ψ ψ - complex conjugate of ψ
5. Although there is a real and positive probability of finding a particle at a given area, the wave
function ψ is typically a complex number.

PARTICLE IN INFINITE POTENTIAL (One dimensional Box)

At 𝑥 = 0 and 𝑥 = a along the 𝑥-axis, imagine a particle with mass m traveling between two
rigid walls of a box or infinite deep potential well.
The particle oscillates between the walls of the infinite well. The particle inside the box has a
constant potential energy (V). For ease of use, it is assumed to be zero.
The walls rise to an endless height. Outside the barriers, the particle's potential energy, V, is
infinity.
The potential function is therefore provided by
V(𝑥) = 0 for 0 ≤ 𝑥 ≤ a
V(𝑥) = ∞ for 0 ≥ 𝑥 ≥ a
Square well potential is the name given to this potential function (fig).

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 Fig. Particle in a 1D rigid box (infinite deep potential well)
The particle has trouble exiting the enclosure. It cannot exist on the box's walls either. For x ≤ 0
and x > a, its wave function, ψ, is hence 0. Finding the value ψ inside the box, that is, between x =
0 and x = a, is the current task.
Schrodinger wave equation in 1D is given by
𝑑2ψ 2𝑚
+ (E − V)ψ = 0 --------- (1)
𝑑𝑥 2 ħ2

Since V = 0 between the walls, the equation (1) become

𝑑2ψ 2𝑚𝐸
+ ψ=0 --------- (2)
𝑑𝑥 2 ħ2
2𝑚𝐸
Substituting = 𝑘 2 in equation (2), we have
ħ2

𝑑2ψ
𝑑𝑥 2
+ 𝑘2 ψ = 0 ------------ (3)

Equation (3)'s generic solution is provided by

Ψ (𝑥) = A sin k𝑥 + B cos k𝑥 ------------ (4)
where A and B are two unidentified constants.
The boundary conditions are used to calculate the values of the constants A and B.
Boundary condition – 1
𝚿 = 0 at 𝒙 = 0
When we apply this requirement to equation (4), we get
0 = A sin 0 + B cos 0
0 = 0 + (B×1)

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0=B
B=O
Boundary condition – 2
𝚿 = 0 at 𝒙 = 𝒂
When we apply this requirement to equation (4), we obtain
0 = A sin k 𝑎 + 0
A sin k 𝑎 = 0
It turns out that either A = 0 or sin k 𝑎 = 0
Since one of the variables B is already 0, A cannot be 0. The wave function is zero even between
the box's walls if A is likewise 0. Therefore, "A" shouldn't be 0. Consequently,
sin k𝑎 = 0
sin k𝑎 is 0 only when k𝑎 takes the value of n𝛑
i.e., k𝑎 = n𝛑
where n is positive integer 1, 2, 3 …
𝑛𝜋
k= ---------------------- (5)
𝑎

on squaring equation (5), we have

𝑛 2 𝜋2
𝑘2 = ------------------ (6)
𝑎2

We know that
2𝑚𝐸 2𝑚𝐸
𝑘2 = = ℎ2
ħ2
4𝜋2

(2m× 4𝜋2 )E
𝑘2 = ℎ2

8𝜋2 mE
𝑘2 = ------------ (7)
ℎ2

Equating equation (6) and (7) we have

𝑛 2 𝜋2 8𝜋2 mE
=
𝑎2 ℎ2

Energy of the particle

𝑛2 ℎ2
𝐸𝑛 = 8𝑚𝑎2 ------------- (8)

Substituting equation (5) in equation (4), we have

𝑛𝜋𝑥
Ψ𝑛 (𝑥) = A sin ------------------ (9)
𝑎

Here, n = 1, 2, 3 ….

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There exists an energy level for every value of n.
There is no infinite amount of energy that a particle in a box can have. Only the discrete energy
values given by equation (8) are possible for it.
Stated otherwise, its energy is quantized.
The equivalent Ψn is referred to as the Eigen function, and each value of En is known as the
Eigen value.

Normalization of wave function

The normalization of the wave function yields the following result for the constant A.

Probability density is given by Ψ ∗ Ψ

𝑛𝜋𝑥
We know that Ψ𝑛 (𝑥) = A sin 𝑎

𝑛𝜋𝑥 𝑛𝜋𝑥
Ψ ∗ Ψ = A sin × A sin
𝑎 𝑎

[Ψ = Ψ ∗ the wave function is real (not complex)]

𝑛𝜋𝑥
Ψ ∗ Ψ = 𝐴2 𝑠𝑖𝑛2 [ ] ------------------ (10)
𝑎

The particle is within the box somewhere, that much is apparent. As a result, the probability of
finding the particle within the length-a box is provided by

𝑎
∫0 Ψ ∗ Ψ d𝑥 = 1 -------------- (11)

Substituting Ψ ∗ Ψ from equation (10) in equation (110, we get

𝑎 𝑛𝜋𝑥
∫0 𝐴2 𝑠𝑖𝑛2 [ 𝑎
] d𝑥 = 1

2𝑛𝜋𝑥
𝑎[ 1− 𝑐𝑜𝑠[ 𝑎 ]]
𝐴2 ∫0 d𝑥 = 1
2

𝐴2 𝑎 𝑎 2𝑛𝜋𝑥
[∫0 d𝑥 - ∫0 𝑐𝑜𝑠 [ ] d𝑥 ]= 1
2 𝑎

2𝑛𝜋𝑥
𝐴2 𝑠𝑖𝑛[ ]
[(𝑥)𝑎0 – ( 2𝑛𝜋𝑎 )𝑎0 ] =1
2
𝑎

At both boundaries, the integral's second term equals zero.

𝐴2
[(𝑥)𝑎0 = 1
2

𝐴2
Thus, (a) = 1
2

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 2
𝐴2 = 𝑎

2
A = √𝑎 ---------------------- (12)

On substituting equation (12) in equation (9, we have

Belonging to its Eigen energy values En, the Eigen function (Ψn) is represented as

2 𝑛𝜋𝑥
Ψ𝑛 (𝑥) = √𝑎 sin ---------------- (13)
𝑎

The normalized Eigen function is represented by this expression (13). The following figure
displays the energy En and normalized wave functions Ψn.

Special cases

The following examples, which can be drawn from equations (8) and (13), demonstrate how an
electron moves in a one-dimensional box.

Case (i): n = 1
ℎ2
E1 = 8𝑚𝑎2

2 𝜋𝑥
Ψ1 (𝑥) = √𝑎 sin 𝑎

Hence, Ψ1 (𝑥) is at its maximum precisely in the middle of the box, as seen in fig.

Case (ii): n = 2

4ℎ2
E2 = 8𝑚𝑎2 = 4E1

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 2 2𝜋𝑥
Ψ2 (𝑥) = √𝑎 sin ( )
𝑎

Hence, Ψ2 (𝑥) is at its greatest at a quarter's distance from the box's sides, as seen in fig.

Case (iii): n = 3

9ℎ2
E2 = 8𝑚𝑎2 = 9E1

2 3𝜋𝑥
Ψ3 (𝑥) = √𝑎 sin ( )
𝑎

Hence, Ψ3 (𝑥) is maximum at exactly middle and one-sixth distance from either sides of the box
as shown in fig.

PARTILE IN AN INFINITE POTENTIAL WELL – Extension to 2 DIMENSION

The solution of 1D potential well is extended for a 2D well.
The particle (electron) in a 2D potential well is free to go in both directions (x and y). As a result,
we must utilize two quantum numbers, nx and ny, in place of one quantum number, n, which
corresponds to the two coordinate axes, x and y, respectively.
Assuming that a and b represent the well's lengths along the x and y axes in Figure,

Fig. Particle in 2D box.

Energy of the particle E = 𝐸𝑛𝑥 + 𝐸𝑛𝑦

𝑥 𝑛2 ℎ2 𝑦 𝑛2 ℎ2
i.e., 𝐸𝑛𝑥𝑛𝑦 = 8𝑚𝑎 2 + 8𝑚𝑏2

If a = b
ℎ2 𝑛2 𝑛2
𝐸𝑛𝑥𝑛𝑦 = 8𝑚[𝑎𝑥2 + 𝑎𝑦2 ]

ℎ2
𝐸𝑛𝑥𝑛𝑦 = 8𝑚𝑎2[𝑛𝑥2 + 𝑛𝑦2 ] ---------------- (1)

The particle in the 2D well's associated normalized wave function is expressed as

Page 17 of 43
 2 𝑛𝑥 𝜋𝑥 2 𝑛𝑦 𝜋𝑦
Ψ𝑛𝑥𝑛𝑦 = √𝑎 sin ( ) × √𝑏 sin ( )
𝑎 𝑏

2 2 𝑛𝑥 𝜋𝑥 𝑛𝑦 𝜋𝑦
Ψ𝑛𝑥𝑛𝑦 = √𝑎 ×√𝑏 sin ( ) sin ( )
𝑎 𝑏

4 𝑛𝑥 𝜋𝑥 𝑛𝑦 𝜋𝑦
Ψ𝑛𝑥𝑛𝑦 = √𝑎𝑏 sin ( ) sin ( ) ----------------- (2)
𝑎 𝑏

We know from equations (1) and (2) that different energy Eigen values and Eigen functions result
from various combinations of two quantum numbers (nx and ny).
Example
Suppose a state has quantum numbers
𝑛𝑥 = 1, 𝑛𝑦 = 2, Similarly, for 𝑛𝑥 = 2, 𝑛𝑦 = 1
5ℎ2
E12 = E21 = ------------------- (3)
8𝑚𝑎2

The wave functions that correspond to it are expressed as

4 𝜋𝑥 2𝜋𝑦
Ψ12 = √𝑎𝑏 sin ( 𝑎 ) sin ( )
𝑏

4 2𝜋𝑥 𝜋𝑦
Ψ21 = √𝑎𝑏 sin ( ) sin ( 𝑏 ) ------------------------ (4)
𝑎

Quantum Well: A quantum well is a particle in a 2D infinite potential well.

PARTILE IN AN INFINITE POTENTIAL WELL – Extension to 3 DIMENSION

The solution of 1D potential well is extended for a 3D potential box.

The particle in a three-dimensional potential box is free to travel in any direction. As a result, we
must utilize three quantum numbers nx, ny and nz instead of only one, which corresponds to the x,
y, and z coordinate axes, respectively.

If the box's lengths along the x, y, and z axes are a, b, and c as illustrated in Fig., then

Page 18 of 43
 Fig. Particle in a 3D box.

Energy of the particle = Ex + Ey + Ez

𝑥 𝑛2 ℎ2
𝑦 𝑧𝑛2 ℎ2 𝑛2 ℎ2
i.e., 𝐸𝑛𝑥𝑛𝑦𝑛 = 8𝑚𝑎 2 + 8𝑚𝑏2 + 8𝑚𝑏2
𝑧

If a = b = c as for a cubical box, then

ℎ2 𝑛2 𝑛2 𝑛2
𝐸𝑛𝑥𝑛𝑦𝑛 = 8𝑚[𝑎𝑥2 + 𝑎𝑦2 + 𝑎𝑧2 ]
𝑧

ℎ2
𝐸𝑛𝑥𝑛𝑦 = 8𝑚𝑎2[𝑛𝑥2 + 𝑛𝑦2 + 𝑛𝑦2 ] ----------------- (1)

The particle in the three-dimensional well's associated normalized wave function is expressed as
2 𝑛𝑥 𝜋𝑥 2 𝑛𝑦 𝜋𝑦 2 𝑛𝑧 𝜋𝑧
Ψ𝑛𝑥𝑛𝑦𝑛𝑧 = √𝑎 sin ( ) × √𝑏 sin ( ) × √𝑏𝑐 sin ( )
𝑎 𝑏 𝑏

8 𝑛𝑥 𝜋𝑥 𝑛𝑦 𝜋𝑦 𝑛𝑧 𝜋𝑧
Ψ𝑛𝑥𝑛𝑦𝑛𝑧 = √𝑎𝑏𝑐 sin ( ) sin ( ) sin ( ) ------------------ (2)
𝑎 𝑏 𝑏

We know from equations (1) and (2) that different energy Eigen values and Eigen functions result
from various combinations of the three quantum numbers (nx, ny, and nz).
Example
Suppose a state has quantum numbers
𝑛𝑥 = 1, 𝑛𝑦 = 1, and 𝑛𝑧 = 2
Similarly, for 𝑛𝑥 = 1, 𝑛𝑦 -= 2, 𝑛𝑧 = 1 and 𝑛𝑥 = 2, 𝑛𝑦 -= 1, and 𝑛𝑧 = 1, we have energy value
6ℎ2
E112 = E121 = E211 = 8𝑚𝑎2 -------------- (3)

The wave functions that correspond to it are expressed as

Page 19 of 43
 8 𝜋𝑥 𝜋𝑦 2𝜋𝑧
Ψ112 = √𝑎3 sin ( 𝑎 ) sin ( 𝑏 ) sin ( ) --------------------- (4.1)
𝑏

8 𝜋𝑥 2𝜋𝑦 𝜋𝑧
Ψ121 = √𝑎3 sin ( 𝑎 ) sin ( ) sin ( 𝑏 ) ---------------------- (4.2)
𝑏

8 2𝜋𝑥 𝜋𝑦 𝜋𝑧
Ψ121 = √𝑎3 sin ( ) sin ( 𝑏 ) sin ( 𝑏 ) ----------------------- (4.3)
𝑎

Degeneracy
It can be observed from equations (3) and (4) that for various combinations of quantum numbers,
we have the same energy Eigen value but distinct Eigen functions. A degenerate state is one in
which the energy levels are such.
Three-fold degenerate states are those that result from the three possible combinations of quantum
numbers (112), (121), and (211) giving distinct Eigen functions but the same Eigen value.
Non- degenerate state:
Such a state is referred to as non-degenerate when there is just one wave function that corresponds
to the energy Eigen value.
Assume
𝑛𝑥 = 2, 𝑛𝑦 = 2, and 𝑛𝑧 = 2
12ℎ2
E222 = 8𝑚𝑎2

8 2𝜋𝑥 2𝜋𝑦 2𝜋𝑧

Ψ222 = √𝑎3 sin ( ) sin ( ) sin ( )
𝑎 𝑏 𝑏

Probability Density
Probability of finding the particle between positions x and x+dx.
2 𝑛𝜋𝑥
P (x) = |Ψ𝑛 |2 dx = sin2( ) dx
𝑎 𝑎
2 𝑛𝜋𝑥
Probability density, P(x) = 𝑎 sin2( )
𝑎

Probability density is maximum when

𝑛𝜋𝑥 𝜋 3𝜋 5𝜋
=2, , , ……
𝑎 2 2

Or
𝑎 3𝑎 5𝑎
x = 2𝑛, 2𝑛, 2𝑛, ……….
𝑎
For n = 1 (lowest energy state), x = 2, i.e., the particle is probably located in the center of the box.
(because |Ψ1 |2 is maximal there).
𝑎 3𝑎 𝑎 3𝑎
For n = 2 (next energy state), x = 4 and x = i.e., the particle is most likely to be at 4 and and
4 4
never found in the mid because |Ψ2 |2 is zero there.

Page 20 of 43
 𝑎 3𝑎 5𝑎
For n = 3, the most expected positions of particle are x = 6, , …
6 6

The variation of probability densities |Ψ1 |2, |Ψ2 |2and |Ψ3 |2 (for n = 1, 2, 3) with x is shown in
Fig.

Fig. The variation of probability densities.

It is seen that the outcomes of quantum mechanics differ significantly from those of classical
mechanics.
Quantum physics predicts that the probability varies at different places and that there are points
where the particle is never discovered, in contrast to classical mechanics which predicts the same
probability for the particle to be anywhere in the box.

QUANTUM STRUCTURES:
Quantum wells, wires and dots
Definition
A bulk material is referred to as having a quantum structure when at least one of its
dimensions is reduced to a few nanometers.

Explanation

One way to decrease a box's volume is to make its length, width, and height shorter. This
also applies to the area of a solid that contains electrons.
The bulk substance is contained in three dimensions. At least one of these dimensions must
be limited to less than 100 nanometers, or even a few nanometers, in order to achieve quantum
confinement.
The density of states functions resembles atomic density functions more and more as the
dimensions are reduced. New insights into the behavior of electrons, actual atoms, and the
development of quantum restricted electronic devices are provided by this incremental
discretization.

Page 21 of 43
 A quantum confined structure is one in which potential barriers restrict the travel of the
electrons or holes in one or more directions.
The quantum confined structure is classified into three types based on the confinement
directions. They are
(i) quantum well
(ii) quantum wire
(iii) quantum dot
(i) Quantum well (2 dimension)
Definition
A "quantum-well" or confinement in one dimension is formed when the electrons are
contained inside an area of minimal width.
Put another way, a structure known as a quantum well results when one dimension is shrunk to
the nanoscale range while the other two dimensions stay large.

Fig 5.1 Quantum well or 2D -structure

Construction
Alternate layers of distinct semiconductors or the deposition of extremely thin metal
films are used to create quantum wells.
Explanation
The carrier particles are free to travel in two dimensions within the bigger structure known
as the quantum well. Since the particles are only allowed to exist in one dimension, this type of
confinement is known as quantum confinement.
The quantum well structure has crucial applications in the creation of practical devices
because of the confinement of carriers.
Use
Nowadays, quantum wells are widely used in the fabrication of semiconductor lasers and
other critical devices.
(ii) Quantum wire (1 dimension)
Page 22 of 43
Definition
The structure is referred to as a quantum wire when the electrons are confined in two
directions that are mutually perpendicular.
Put another way, a structure that results from reducing two dimensions while keeping one
large is a quantum wire.

Fig. 5.2 Quantum wire or 1-D structure

Explanation
Such structures are thought to contain carriers in 1-D quantum confinement. A carrier's
only freedom in this situation is to move its trajectory along the wire.
Example
Nanowires, nanorods, and nanotubes are a few examples of quantum wire architectures.
(iii) Quantum Dots (0D)
Definition
The structure that results from minimizing all three dimensions is referred to as a quantum
dot.
A particle on the surface or inside a bigger structure might be called a dot. It might also be
a location where electrical fields have been used to trap electrons. A quantum dot or 0-D structure
is depicted in Fig. 5.3.

Fig. 5.3 Quantum dot or 0D structure

Explanation
Page 23 of 43
 There are no freely moving carriers in quantum dots; instead, the carriers have only limited
states. Due to its unique characteristics, a quantum dot—which carries thousands of atoms—is
seen more like a single atom.
Use
Quantum dots are useful for lasers, quantum computers, and other devices.
The procedures of lowering the size in the cases of curvilinear geometry and rectilinear
geometry are explained in Figs. 5.5 and 5.4, respectively.
Three quantum confined structures are compared with bulk material in Fig. 5.6.
Because quantum wells and quantum wires display "partial confinement," each of these
structures has at least one dimension in which electrons are free to flow. On the other hand,
quantum dots display "total confinement".

Fig 5.4 Progressive generation of rectangular structures

Fig 5.5 Progressive generation of curvilinear nanostructures

Fig 5.6 Three quantum structures

Page 24 of 43
The classification of quantum confined structures is shown in following Table.
Structure Quantum confinement Number of unconfined
directions dimensions
Bulk 0 3
Quantum well 1 2
Quantum wire 2 1
Quantum dot 3 0

Single Electron Tunneling

The process by which electrons cross the physical barriers and energy barriers
dividing a quantum dot from the surrounding bulk material is known as tunneling.
There wouldn't be any isolation if all the electrons on one side of the barrier could just
tunnel through it.
Controlling the insertion and extraction of electrons within a quantum dot is therefore
essential.
The capacitance decreases to a modest value as the size decreases. The energy needed to
𝑄2
store an extra electron on it, 𝑊 = , may surpass the thermal energy kT at tiny scales.
2𝐶

The current is therefore carried by single electrons tunneling across leaky capacitors, where
charge quantization may predominate. We refer to this as single electron tunneling.
It is employed in the design of novel devices, such as quantum dots-based single-electron
transistors.

Fig 5.9 Schematic representation of an electron tunneling through a barrier.

Therefore, single-electron devices, which are made of quantum dots with tunnel
junctions, are devices that have the ability to regulate the motion of even a single electron.
SINGLE ELECTRON TRANSISTOR (SET)

Page 25 of 43
A single-electron box has the characteristics of a switching device, despite being able to regulate
the quantity of electrons in the quantum dot.
The basic elements of Ultra Large Scale Integrated Circuits (ULSIs) are single switching devices.
In order to use single electron devices in logic circuits, single electron switching devices are
necessary.
Definition
A three-terminal switching device, or SET, is able to move electrons one by one from
source to drain.
To specifically regulate the electrons' tunneling into and out of the quantum dot is the aim of the
SET.
Construction & working
The SET structure is depicted in fig. 5.10. Its structure is comparable to that of a traditional
Field Effect Transistor (FET).
It has quantum dots in place of the FET's channel area and tunneling junctions in place of
pn-junctions.
Applying a voltage bias to the gate electrode regulates tunneling. For the current direction,
a different voltage bias is supplied between the source and drain electrodes.
The gate bias voltage needs to be high enough to overcome the Coulomb blockade energy
in order for current to pass.

Page 26 of 43
 Fig 5.10 A single electron transistor (SET)
(a) SET in OFF mode
(b) SET in ON mode
The formula provides the energy E required to carry a charge Q across a potential
difference V.
E = VQ
Currently, an electron's charge (Q = e). Therefore, the voltage required to trigger an
electron to enter or exit a quantum dot is given by
𝐸 𝑊𝑐
V=𝑒 = 𝑒

Since E = 𝑊𝑐
where, 𝑊𝑐 - charging energy
𝑒2
V = (2𝐶 ) / e
𝑒
V = 2𝐶 ----------------------- (1)

An electron can tunnel through the quantum dot's Coulomb blockade when this voltage is
applied to it. The number of electrons on the dot at a time can be adjusted using the gate voltage
as stated in equation (1).

Page 27 of 43
When the setting is lowest, individual electrons tunnel through the dot from the source to the drain.
The dot's potential energy is low enough at the appropriate gate voltage, V = e/(2C), to enable an
electron to tunnel over the Coulomb blockade energy barrier and reach the quantum dot.
The quantum dot's potential energy increases when it gains an electron. Subsequently, the electrons
tunnel through the opposing Coulomb blockade to arrive at the reduced potential energy at the
drain. The process repeats since the dot is empty and the potential is once again lower.
Therefore, no current flows when the gate voltage Vg is 0. V Coulomb is the initial gate voltage
that is high enough to pass an electron through the Coulomb blockade.
For single-electron tunneling, Vg =VCoulomb,
On the quantum dot, two electrons can be transported at once if the gate voltage is equal to
VCoulomb + (e/2C). If the gate voltage equals
VCoulomb + (e/2C) + (e/2C) =VCoulomb + (e/C),
subsequently, on the quantum dot, three electrons can be manipulated simultaneously and so on.
Thus, number of electrons in the quantum dot is controlled using the gate voltage.
These ON and OFF states can be utilized to make an effective switch out of a SET.
The gate voltages for a SET are a few millivolts and source-to-drain currents are in the pico
ampere range.
Advantages
• Electrostatic interactions alone are responsible for the incredibly quick (nearly light speed)
information transfer between cells.
• A wire is not required to connect arrays. A single cell may have a size of only 2.5 nm. They were
therefore excellent candidates for high density memory.
• The next generation of quantum computers can make use of this.
Limitations
• The quantum dot size must be less than 10 nm in order to run the SET circuit at room temperature.
• Traditional optical lithography and semiconductor processes are very difficult to build. It is
necessary to devise techniques for joining the separate components into logic circuits, and then
organize these circuits into more elaborate two-dimensional patterns.
Applications
• Digital electronic circuits and sensor technologies are the two primary applications of the single
electron transistor.
• SET running at normal temperature yields a range of digital logic functions, such as AND or
NOR gates.
• SET can be employed as a temperature probe, especially in the range of very low temperatures.
• It is used for mass data storage. • It is utilized in highly sensitive electrometers.

Page 28 of 43
• A good measuring configuration for single electron spectroscopy is SET.
• It's employed in the construction of a homo-dyn receiver that operates at frequencies ranging
from 10 to 300 MHz.
QUANTUM STATES
Let us start with the idea of wave-particle duality, which is provided by the fundamental
law of quantum physics. A complex function that is dependent on the coordinate 𝑥 and time t can
be used to characterize the quantum state of a system.
Quantum state ~ (𝑥, t) ---------- )1)
In a probabilistic sense, the wave function encodes all of the system's information. The theory is
limited to predicting the probability of an experiment's result. The wave function can be used to
determine the probability.
Thus |Ψ (𝑥, 𝑡)|2 is a probability density, or probability per unit length. Since there must be a unity
probability of finding the particle somewhere along the real axis,
|Ψ |2= ∫ |Ψ (𝑥, 𝑡)|2 𝑑𝑥 = 1 ---------- (2)
By multiplying by the appropriate constant, one can normalize any function whose integral along
the real axis is finite. In actuality, a physical system is described by two wave functions that differ
by an arbitrary factor C.
A vector in the Hilbert space of length 1 represents a state in quantum physics.
An infinite dimensional vector space with an inner product and corresponding norm is
known as Hilbert space.
The state is represented as |Ψ𝑛 ⟩ given by
|Ψ𝛼 ⟩ = 𝛼0|0⟩ +𝛼1|1⟩ …….. +𝛼𝑖 | 𝑖⟩ + ……… +𝛼𝑛−1 |n-1⟩
The product of the bra vector ⟨Ψ𝛼 | and the ket vector |Ψ𝛼 ⟩ is expected to be normalized, i.e.,
⟨Ψ𝛼 |Ψ𝛼 ⟩ = 1.

Therefore,
𝛼02 +𝛼12 + ……. + 𝛼𝑛−1
2
=1
i.e., ∑𝑛−1 2
𝑖=0 |𝛼𝑖 | = 1

Only direction defines the ket vector or bra vector that characterizes a state; their length is specified
up to a factor. This is comparable to a Hilbert space ray.
For a normalized vector, we have |Ψ⟩ and 𝑒 𝑖𝛾 Ψ⟩, where |𝑒 𝑖𝛾 | = 1 and γ represents relative
phase. For two states |Ψ𝑎 ⟩ and |Ψ𝑏 ⟩, Using the principle of superposition, we can create
another state as
𝛼𝑎 |Ψ𝑎 ⟩ +𝛼𝑏 | Ψ𝑏 ⟩.

Page 29 of 43
In n- dimensional state vector space, the set of unit vectors {|0⟩, |1⟩, ….. |𝑖⟩, ….. |𝑛 − 1⟩}
creates a unitary basis that is normalized. H 4 can be represented by the vector in Hilbert
space.
|Ψ𝑎 | 𝛼0 |0⟩+𝛼1 |1⟩>𝛼2 |2⟩+𝛼3 |3⟩
Where
1 0 0 0
0 1 0 0
|0⟩ = [ ], |1⟩ =[ ], |2⟩ =[ ], |3⟩ = [ ]
0 0 1 0
0 0 0 1
In the Hilbert space H2, we have two different bases {|0⟩, |1⟩}. Its superposition state is
represented as |Ψ⟩ = 𝛼0 |0⟩+𝛼1 |1⟩.
1 0
|0⟩ = [ ] and |1⟩ =[ ]
0 1

CLASSICAL BITS AND QUANTUM BITS (QUBITS) Classical bits

A classical bit represents a physical system in one of two possible states: "0" or "1." It can therefore
take on a value of 0 or 1. The bit is a physically simpler and smaller system. Processing and storing
information quickly uses less energy. Bits have an atomic or subatomic physical structure.

The fundamental component of a classical computer is the classical bit. The bits are kept on
magnetic tape, metal hard drive platters, or silicon chips. One bit of data can be stored in a bit. A
list of bits can hold a significant amount of data. A bit is stored in the single elementary particle
of some kind.
1 1
For instance, a particle with spin + 2 is represented by the bit 1, whereas a particle with spin − 2

is represented by the bit 0. One bit of information can be stored by this particle.
As a classical bit, this particle is always in the states of 1 or 0.

Due to its quantum nature, this spin particle may potentially serve as the basic component of a
quantum computer.

Quantum Bits (Qubits)

The fundamental building block of quantum information in computing is a qubit, sometimes
known as a quantum bit. The quantum equivalent of a classical binary bit, or qubit, is a two-state
devices used in physical realization. This two-state quantum mechanical system demonstrates the
quirks of the theory.

Page 30 of 43
A two-dimensional complex Hilbert space describes the quantum bit, also known as a qubit, which
is a two-level quantum system. One can select two normalized, mutually orthogonal quantum
states in this space.

1 0
|0⟩ ≡ [ ], |1⟩ ≡ [ ] ------------------(1)
0 1
to symbolize a traditional bit's 0 and 1 values. A computational basis is formed by these two states.
Any state of the qubit can be expressed as follows from the superposition principle:
|Ψ⟩ = α |0⟩ + β |1⟩ ------------------(2)
where the normalization condition limits the complex values representing the amplitudes α and β.
|𝛼|2+|𝛽|2 = 1 ----------------(3)
There is also a continuum of states between |0⟩ and |1⟩ in which a qubit can live. A qubit can be in
1 1
the states |0⟩ + |1⟩, according to probability theory. This shows that the particle will be in the
√2 √2
1
state for 50% of time with probability ( )2 and will be in the state |1⟩ for 50% of time with
√2
1
probability ( )2 .
√2

Additionally, the qubit is a continuum of states that between |0⟩ and |1⟩.

1 √3 1 3
For example, a qubit can be in a state of 2|0⟩ + |1⟩. Here, the probability |0⟩ is 4 and |1⟩ is 4.
2

One can select a real and positive state vector because state vectors are only specified up to a global
phase that has no physical meaning (except for the basis state |0⟩, in which alpha = 0, and one may
take β = 1 real). Consequently, a qubit's generic state can be expressed as
θ θ
|Ψ⟩ = cos 2 |0⟩ + eiФ sin2 |1⟩ ------------------(4)
𝜃
𝑐𝑜𝑠 2
=[ 𝜃
] (0≤ θ ≤ 𝛑, 0 ≤ Ф ≤ 2𝛑)
𝑖Ф
𝑒 𝑠𝑖𝑛 2

Thus, the qubit lives in a vector space as opposed to the traditional bit, which can only be set equal
to 0 or 1, parametrized by the continuous variables α and β (or θ and Ф)

A continuum of states is therefore permitted.

Our "classical" design of thinking is at conflict with this. In general, the complex numbers α and
β can be specified using an infinite number of bits according to quantum physics.

Page 31 of 43
The problem is that we need to measure in order to extract this information, and quantum
mechanics informs us that we can do so by measuring a qubit's polarization state, or 𝜎𝑛 along any
axis n. 𝜎𝑛 = +1 or 𝜎𝑛 = -1 is the single bit of information that exists.
To acquire α and β, an infinite number of measurements on identically created single-qubit states
are needed.
As the probability |𝛼|2 +|𝛽|2 = 1

Additionally, an alternative collection of vectors is employed as an orthonormal basis.

For example, let us consider state vector as

|0⟩+ |1⟩
|+⟩ =
√2

and
|0⟩− |1⟩
|-⟩ =
√2

Hence, a qubit can be represented as

|+⟩+ |−⟩ |+⟩− |−⟩
|Ψ⟩ = α +β
√2 √2

Or
𝛼+ 𝛽 𝛼−𝛽
|Ψ⟩ = |+⟩ + |-⟩
√2 √2

A qubit is a mathematical representation of a small physical system, like an electron's spin

or a photon's polarization. It also occurs in a superposition state, which is a continuum of
intermediate states.
A unit vector can be used to represent a qubit in a complex two-dimensional vector space. The
various base states are selected to symbolize superposition or intermediate states of a single qubit.
A photon's polarization can be expressed as the basis vector |0⟩ and |1⟩ or its superposition states
|0⟩+ |1⟩ |0⟩− |1⟩
and .
√2 √2

Superposition states generally have the form |Ψ⟩ = α |0⟩+β |1⟩. In terms of behavior, this is
represented by the states |0⟩ with probability |𝛼|2 and |1⟩ with probability |𝛽|2 . The system can
change with probability |𝛼|2 from the initial state |Ψ⟩ to the state |0⟩ or with probability |𝛽|2 to
the state |1⟩.

MULTIPLE QUBITS
Imagine a two-qubit system in a four-dimensional vector space. Four computational basis states
are represented in this Hilbert space as |00⟩, |01⟩, |10⟩, |11⟩.
A state vector |Ψ⟩ is obtained by superposing these states and combining the basis vectors
linearly.

Page 32 of 43
 |Ψ⟩ = 𝛼00|00⟩ +𝛼01|01⟩ +𝛼10|10⟩ +𝛼11|11⟩ ---------------- (1)
Here, 𝛼00, 𝛼01, 𝛼10and 𝛼11 are complex coefficients. The probabilities of the four states are |𝛼00 |2,
|𝛼01 |2, |𝛼10 |2 and |𝛼11 |2.
The norm of a vector |Ψ⟩ is one, as demonstrated by the normalizing condition. Therefore, the total
of the state probabilities is
|𝛼00 |2 + |𝛼01 |2+ |𝛼10 |2 + |𝛼11 |2= 1 ------------------- (2)
The two qubits' respective states are unknown prior to the measurement. Following the
measurement, the condition is known i.e., |00⟩, |01⟩, |10⟩, |11⟩. If only the first bit is observed,
The probability for the first qubit to 0
𝑃0′ = |𝛼00 |2 + |𝛼01 |2 ---------------- (3)
Likewise, the probability of 1 is
𝑃1′ = |𝛼10 |2 + |𝛼11 |2 ---------------- (4)
One, or the sum of the two probabilities, is the result. Consequently,
𝑃0′ + 𝑃1′ = 1 ---------------- (5)

Let |Ψ0′⟩ and |Ψ1′⟩ represent the states following the measurement, where the initial qubits are,
respectively, 0 and 1. These states are provided by
𝛼00 |00⟩ +𝛼01 |01⟩
|Ψ0′⟩ = ------------------- (6)
√|𝛼00|2 + |𝛼01|2

and
𝛼10 |10⟩ +𝛼11 |11⟩
|Ψ1′⟩ = ------------------- (7)
√|𝛼10|2 + |𝛼11|2

Likewise, only for the quantization of the second qubit.

The second qubit's probability to 0 and 1.
𝑃0′′ = |𝛼00 |2 + |𝛼01 |2 --------------------- (8)
𝑃1′′ = |𝛼10 |2 + |𝛼11 |2 -------------------- (9)
and the probability added up to one is unity (1), thus
𝑃0′′ + 𝑃1′′ = 1 ----------------- (10)
The matching states following the measurements are.
𝛼00 |00⟩ +𝛼01 |01⟩
|Ψ0′′⟩ =
√|𝛼00|2 + |𝛼01|2

and

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 𝛼10 |10⟩ +𝛼11 |11⟩
|Ψ1′′⟩ =
√|𝛼10|2 + |𝛼11|2

Let's now examine a unique condition of a two-qubit system with

1
𝛼00 = 𝛼11 = and 𝛼01 = 𝛼10= 0
√2

This pair of qubits is known as the EPR (Einstein, Podolsky, and Rosen) pair, and this state is
known as the Bell state.
1
In the Bell state of the two qubit system, the probability of the first qubit as 0 is 2 and that of 1 is
1
.
2

Consequently, upon measurement, states are

|Ψ0′⟩ = |00⟩
𝛼00 |00⟩ +𝛼01 |10⟩
|Ψ0′⟩ =
√|𝛼00|2 + |𝛼01 |2

1
𝛼00 = and 𝛼10 = 0
√2
1 1
|00⟩ + 0|10⟩ |00⟩
|Ψ0′⟩ = √2
1
= 2
1
√( )2 + 02 √2
√2

Ψ0′ = |00⟩
and
|Ψ1′ ⟩ = |11⟩

Likewise, for the second qubit

|Ψ0′′⟩ = |00⟩
1
𝛼00 = and 𝛼10 = 0
√2
1 1
|00⟩ + 0|10⟩ |00⟩
|Ψ0′′⟩ = √2
1
= √2
1
√( )2 + 02 √2
√2

Ψ0′′ = |00⟩
and
|Ψ1′′ ⟩ = |11⟩
Bell states are a group of four unique states. These serve as an orthonormal basis.
|00⟩ +|11⟩
|𝛽00 | =
√2
|01⟩ +|10⟩
|𝛽01 | =
√2
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 |00⟩−|11⟩
|𝛽10 | =
√2

And
|01⟩−|10⟩
|𝛽11 | =
√2

|00⟩ +|11⟩
Here the first one is engaged in a number of quantum information and computation. 2n
√2
amplitudes of 'n' qubits specify its quantum state. A quantum computer with seven qubits has been
constructed thus far.

Difference between Bits and Qubits

S. No Bits Qubits
1. The device uses logical gates (AND, Quantum logic gates are used by the device
OR, NOT) to manipulate the bits in to control those bits in order to compute.
order to calculate.
2. The memory of a conventional Quantum bits, or qubits, are capable of
computer is composed of bits, each of holding one, zero, or – critically - a
which may store a single value -one superposition of these.
or zero.

3. Bits are used in classical computers. Qubits (Quantum Bits) are used in quantum
computers.
4. Bits, which can only take the discrete Quantum bits, also known as qubits, are
values 0 and 1, are used to store used to store data. When a qubit is in a
information. superposition of two states, a|0⟩ + b|1⟩,
where a and b are complex numbers, it can
be in the states designated |0⟩ and |1⟩.
Superposition of states is just vector
addition if we consider the state of a qubit
to be a vector.
5. Bits process information slowly. Qubit processing is quicker.
6. The behavior of its circuit is based in Quantum mechanics provides the
classical physics. foundation for its circuit behaviour.

CNOT GATES – TWO QUBIT QUANTUM GATES

TWO-QUBIT QUANTUM GATES CNOT GATE
A gate with two inputs and two outputs is called a CNOT gate. The controlled-NOT gate is shown
in figure. The first input is the control input, while the other is the target input. "Control" denotes
the initial output, whereas "target" denotes the second.

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The classical equivalent of a quantum CNOT gate is called an XOR gate. A classical CNOT gate
flips, or complements, its target output to match the target input when the control input is set to 1.
A quantum CNOT gate has two inputs. The control input is a qubit in state (y), while the target
input is a qubit in state 1. The control output of the gate receives a direct transfer of the control
input.
The target output and control input are equal if the control input is zero; inverted or complemented
if the control input is eleven.
In a four-dimensional Hilbert space H4, the input and output qubits of a quantum CNOT gate can
be represented as vectors. A control qubit |Ψ⟩ and a target qubit |ф⟩ are the two qubits applied to
the CNOT gate's input in the figure.
|Ψ⟩ = 𝛼0|0⟩ +𝛼1|1⟩, |Ψ⟩ = 𝛽0 |0⟩ +𝛽1 |1⟩
The quantum CNOT gate's input vector is:
𝛼0 𝛽0
𝛼0 𝛽 𝛼 𝛽
|𝑉𝐶𝑁𝑂𝑇 ⟩ = |Ψ⟩ × |ф⟩ = ( 𝛼 )×( 0 ) = ( 0 1 )
1 𝛽1 𝛼1 𝛽0
𝛼1 𝛽1

Fig. A classical CNOT gate

The CNOT quantum gate modifies the input vector's constituent parts as follows:
|00⟩ - |00⟩, |01⟩ - |01⟩, |10⟩ - |11⟩, |11⟩ - |10⟩
In this case, the goal input is the second qubit, while the control input is the first.
The components of the input and output vectors' outer products can be added to provide the transfer
matrix GCNOT of the CNOT quantum gate.
i.e., GNOT = |00⟩⟨00| + |01⟩⟨01|+ |11⟩⟨10| +|10⟩⟨11|
As well as the outer products of |10⟩ with |11⟩ and |10⟩, the basis vectors |00⟩ and |01⟩ with
themselves are
1 1 0 0 0
0 0 0 0 0
|00⟩⟨00| = ( ) (1 0 0 0) = ( )
0 0 0 0 0
0 0 0 0 0

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 0 0 0 0 0
1 0 1 0 0
|01⟩⟨01| = ( ) (0 1 0 0) = ( )
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 1 0 0
|10⟩⟨11| = ( ) (0 0 0 1) = ( )
1 0 0 0 1
0 0 0 0 0
0 0 0 0 0
1 0 1 0 0
|11⟩⟨10| = ( ) (0 0 1 0) = ( )
0 0 0 0 0
0 0 0 1 0
Therefore, the transition matrix of the circuit is
1 0 0 0
0 1 0 0
GCNOT = ( )
0 0 0 1
0 0 1 0
Given the input state vector |VCNOT⟩ and the transfer matrix of a CNOT gate, it is simple to find
the matrix of the output state vector |WCNOT⟩:
|WCNOT⟩ = ⟨GCNOT |VCNOT⟩
1 0 0 0 𝛼0 𝛽0 𝛼0 𝛽0
0 1 0 0 𝛼 𝛽 𝛼 𝛽
|WCNOT⟩ = ( ) ( 0 1) = ( 0 1 )
0 0 0 1 𝛼1 𝛽0 𝛼1 𝛽1
0 0 1 0 𝛼1 𝛽1 𝛼1 𝛽0
This result can be written as
|WCNOT⟩ = 𝛼0 𝛽0 |00⟩ + 𝛼0 𝛽1 |01⟩ + 𝛼1 𝛽1 |10⟩ + 𝛼1 𝛽0 |11⟩
The first and second components of the input vector are thus reproduced in the output vector by
the CNOT gate, which maintains the control qubit unchanged. Nevertheless, it modifies (flips) the
target qubit, making the third and fourth components of the input vector |V CNOT⟩ become the
vector's third and fourth components.
The output can also be written as
|WCNOT⟩ = 𝛼0|0⟩ [𝛽0 |0⟩ + 𝛽1 |1⟩] + 𝛼1|1⟩[𝛽1 |0⟩ + 𝛽0 |1⟩]
The CNOT gate is reversible. Indeed, the product GCNOT GCNOT = I:
1 0 0 0 1 0 0 0 1 0 0 0
0 1 0 0 0 1 0 0 0 1 0 0
( )( )=( )
0 0 0 1 0 0 0 1 0 0 1 0
0 0 1 0 0 0 1 0 0 0 0 1
Realizing a universal gate is possible using the CNOT quantum gate. Furthermore, given a
single qubit and CNOT gates, any multiple qubit gate may be built.

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Cellular Automata
Scaling towards smaller structures has always been the foundation of microelectronics. Future
systems made of these nanostructures will need new topologies as well as cutting-edge switching
devices.

When the dimensions of these structures approach the nanometric scale, microelectronics will
change to nano electronics scale. Quantum mechanical models are the only ones that can account
for the behavior of these novel devices.

A d-dimensional lattice of bits, or a more general finite collection of variables, that updates
across discrete timesteps is called a cellular automaton. Everywhere, the update rule is the
same. It only changes a small amount depending on its own and its neighbors' states.

An important example of a cellular automaton is the rule 110 CA. There is a one-dimensional array
of bits in this instance. After a single time step, each bit's updated state is calculated by its prior
state as well as the states of its two nearest neighbors. The following explains the update rule.

The update rule's outcome gave rise to the the name. 110 results from treating 01101110, the
bottom row of the table above that specifies the update rule.

The CAs have a wide range of real-world uses, such as fluid flows, biological pattern development,
reaction-diffusion systems, and traffic models.

Initial state of a bit and

111 110 101 100 011 010 001 000
its neighbors
New state of middle bit 0 1 1 0 1 1 1 0

QUANTUM CELLULAR AUTOMATA (QCA)

It's a newly developed nanotechnology. When scaling to the nanoscale, complementary
metal oxide semiconductor (CMOS) technology has numerous drawbacks.

Consideration should be given to novel nanotechnology approaches while trying to

enhance system performance. With minimal drawbacks, QCA technology is an ideal substitute for
CMOS technology.

A majority gate is the fundamental component of every QCA circuit. Inverter gates and
majority gates can be used to construct it. Unlike Boolean logic, the majority logic can be
developed in a different way.

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 Majority logics can be used to implement additional digital functions as well as Boolean
logic operators (such as AND, OR, and their complements). Because there are so few logic gates
in the majority logic, it can be said to be more powerful for implementing digital functions. (Figure
5.15).

Explanation and Investigation

Cells are where this technology is assembled. As seen in fig. 5.15(a), each cell has two
imprisoned electrons as well as four total. Any island can contain electrons, and they have the
ability to tunnel between islands. They will, however, always settle into one of the two stable
states because of Coulomb repulsion.
A binary "1," denoted by one configuration of charge, and a binary "0," but no current enters or
exits the cell. The next cell's charge configuration is changed by the field from the previous cell's
charge configuration.

(a) Basic QCA cell and binary encoding

(b) QCA majority gate

(c) QCA inverter

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This simple device can surprisingly be connected to a clocking scheme. The effective barrier
between states is modulated by it. With extremely little power consumption, it facilitates general-
purpose computing.

It is possible to create a binary wire where each cell in the chain has the same value.The Majority
Gate is the basic logic gate. There are three inputs to the majority gate. As seen in fig. 5.15(b), its
output is equal to whichever two inputs agree.

Given three inputs with the labels A, B, and C, the majority gate's logic function is

M (A, B, C) = AB + BC + AC

It is possible to build logical AND and OR functions from majority input by immutably
setting one input to binary values 0 or 1, respectively. The not gate supports a signal, as fig. 5.15
(c) shows.

QCA Clocking

It is possible to regulate the potential barriers between neighboring quantum dots in order
to clock QCA. There is no distinct cell polarization at low potentials because the electron wave
functions become delocalized.

As the tunneling rate is reduced by raising the potential barrier, the electrons start to
localize.

The cell becomes clearly polarized as the electrons localize. The cell is considered latched
when the potential barrier reaches its maximum height. New values can be fed in by the actual
inputs since the latched cells function as virtual inputs. This makes creating QCA circuits simple.

Advantages of QCA

There are numerous benefits to this technique.

• Because it is "edge driven," an input is delivered to a QCA block's edge. (That is, it is assessed
and output at a different edge). It also eliminates the requirement for internal power line routing.

• Since there is no current flowing, the QCA systems ought to be extremely low power systems.

• The QCA cells are very small; only a modest amount of energy is required to elevate the
electrons from their ground states to higher states.

ADVANTAGES OF QUANTUM COMPUTING OVER CLASSICAL COMPUTING

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1. Complex mathematical problems can be resolved by quantum computers. In a reasonable
amount of time, traditional computers are unable to tackle this problem.

2. There is enough processing power to handle abnormally high data volumes.

3. It can operate in parallel because of the teleportation phenomena referred to as "quantum

tunneling." Its low electricity usage results in a reduction of power consumption of up to 100–
1000 times.

4. A computer can perform tasks "thousands of times" quicker than a traditional computer.

5. It can operate without overheating since the quantum system keeps it cool to a temperature of
0.2 Kelvin to ensure stability.

6. It can quickly resolve optimization issues, including choosing the optimum path and planning
trips for trains and airplanes.

7. Electronic gadgets are designed to be smaller thanks to the quantum effect.

8. Compared to classical computers, quantum computers have a higher simplifying efficiency.

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1. What are matter waves?
The waves associated with moving particles of matter(e.g., electrons, photons, etc) are
known as matter waves or de-Broglie waves.
2. How de-Broglie justified his concept?
• Our universe is fully composed of light and matter.
• Nature loves symmetry. If radiation like light can act like wave and particle, then
material particles (e.g., electron, neutron etc.,) should also act as particle and wave.
• Every moving particle has always associated with wave.
3. Write the expression for wavelength of matter waves. (or) What is de-Broglie’s wave
equation?
Wavelength for matter waves is given by,
ℎ ℎ
𝜆 = 𝑚𝑣 = 𝑝

4. State the properties of matter waves.

➢ Lighter is the particle, greater is the wavelength associated with it.
➢ Smaller is the velocity of the particle, greater is the wavelength associated with it.
➢ These waves are not electromagnetic waves.
➢ The velocity of de-Broglie wave is equal to the velocity of the material particle.
5. Mention some of the physical significance of wave function.
(i) The wave function 𝜓 relates the particle and wave nature of matter statistically
(ii) It is a complex quantity and hence we cannot measure it.
(iii) If the particle is certainly to be found somewhere in a space of dimensions dx, dy and dz,
then the probability value is equal to one.
6. What is a single electron transistor?
SET is a three – terminal switching devices which can transfer electrons from source to drain one
by one.
7. What are the advantages of SET?
• The fast information transfer velocity between cells is carried out via electrostatic
interactions only.
• No wire is needed between arrays. The size of each cell can be as small as 2.5 nm. This
made them very suitable for high density memory.
• This can be used for the next generation quantum computer.

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