QUANTUM MECHANICS I SPH 313

2.3.3 The Step Potential Function

Consider now a step potential function as shown in Figure 2.7. In the previous section we considered
a particle being confined between two potential harriers. In this example, we will assume that a flux
of particles is incident on the potential barrier. We will assume that the particles are traveling in the
+x direction and that they originated at x =   . A particularly interesting result is obtained for the
case when the total energy of the particle is less than the barrier height, or E < Vo. We again need to
consider the time-independent wave equation in each of the two regions. This general equation was
given in Equation (2.13) as
 2 x  2m
 2 E  V x  ( x)  0 (2.13)
2 x2 

Figure 2.7: The step potential function.

The wave equation in region I, in which V = 0, is

 2 x  2m
 2 E ( x)  0
2 x2 
The general solution to this equation can be written in the form
 1 x   A1e iK1 x  B1e iK1 x  x  0 (2.40)
where the constant K1 is given by
2mE
K1  (2.41)
2
The first term in Equation (2.40) is a traveling wave in the +x direction that represents the incident
wave, and the second term is a traveling wave in the -x direction that represents a reflected wave. As
in the case of a free particle, the incident and reflected particles are represented by traveling waves.
For the incident wave,  i  i  A1e iK1 x  A1eiK1 x  A1. A1 is the probability density function of the
incident particles. If we multiply this probability density function by the incident velocity, then
i . A1. A1 is the flux of incident particles in units of #/cm2-s. Likewise, the quantity
 r  r  B1e iK x  B1e iK x  B1.B1 is the probability density function of the reflected particles; and
1 1

 r .B1.B1 is the Flux of the reflected particles, where r , is the velocity of the reflected wave. (The
parameters  i and r , in these terms are actually the magnitudes of the velocity only.)

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Maxwell Mageto, PhD
QUANTUM MECHANICS I SPH 313

In region II, the potential is V = V0. If we assume that E < Vo, then the differential equation describing
the wave function in region II can be written as
 2 2 x  2m
 2 V0  E  2 ( x)  0 (2.42)
2 x2 
The general solution may then be written in the form
 2 x   A2 e  K 2 x  B2 e  K 2 x  x  0 (2.43)
where
2mV0  E 
K2  (2.44)
2
One boundary condition is that the wave function  2 (x) must remain finite, which means that the
coefficient B2 = 0. The wave function is now given by
 2 x   A2e  K2 x x  0 (2.45)
The wave function at x = 0 must be continuous so that
 1  x  0   2  x  0 (2.46)
Then from Equations (2.40), (2.45) and (2.46), we obtain
A1  B1  A2 (2.47)
Since the potential function is everywhere finite, the first derivative of the wave function must also be
continuous so that
 1  2
 (2.48)
x x  0 x x  0
Using Equations (2.40), (2.45), and (2.48), we obtain
iK1 A1  iK1 B1   K 2 A2 (2.49)
We can solve Equations (2.47) and (2.49) to determine the coefficients B1 and A2 in terms of the
incident wave coefficient A1. The results are
 K 22  2iK1 K 2  K12 A1
B1  (2.50a)
K 22  K12 
and
2 K1 K1  iK 2 A1
A2  (2.50b)
K 22  K12 
The reflected probability density function is given by

B1.B1 
  
K 22  K12  2iK1 K 2 K 22  K12  2iK1 K 2 A1. A1
(2.51)
 
K 22  K12
2

We can define a reflection coefficient, R, as the ratio of the reflected flux to the incident flux, which
is written as
r .B1.B1
R (2.52)
i . A1. A1
where  i . and r are the incident and reflected velocities respectively of the particles. In region I, V
= O so that E = T, where T is the kinetic energy of the particle. The kinetic energy is given by
1
T  m 2 (2.53)
2

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Maxwell Mageto, PhD
QUANTUM MECHANICS I SPH 313

so that the constant K1 , from Equation (2 41), may be written as

2m  1 2 2 m
2
K1  2 
m   m  (2.54)
 2   2

The incident velocity can then be written as

i  .K1 (2.55)
m
Since the reflected particle also exists in region I, the reflected velocity( magnitude) is given by

 r  .K1 (2.56)
m
The incident and reflected velocities (magnitudes) are equal. The reflection coefficient is then
 .B .B  B1.B1

R  r 1 1   (2.57)
i . A1. A1 A1. A1
Substituting the expression from Equation (2.51) into Equation (2.57), we obtain

R 
B1.B1


 2
K 22  K12  4 K12 K 22
 1.0 (2.58)
A1. A1

 K 22  K122

The result of R = 1 implies that all of the particles incident on the potential barrier for E < V0 are
eventually reflected. Particles are not absorbed or transmitted through the potential barrier. This result
is entirely consistent with classical physics and one might ask why we should consider this problem in
terms of quantum mechanics. The interesting result is in terms of what happens in region II.

The wave solution in region II was given by Equation (2.45) as 2 x   A2e  K2 x . The coefficient A2
from Equation (2.47) is A1  B1  A2 , which we derived from the boundary conditions. For the case
of E  V0 , the coefficient A2 is not zero. If A2 is not zero, then the probability density function
 2 x. 2 x of the particle being found in region II is not equal to zero. This result implies that
there is a finite probability that the incident particle will penetrate the potential barrier and
exist in region II. The probability of a particle penetrating the potential barrier is another
difference between classical and quantum mechanics: The quantum mechanical penetration
is classically not allowed. Although there is a finite probability that the particle may penetrate the
barrier, since the reflection coefficient in region I is unity, the particle in region II must eventually turn
around and move back into region I. The rapidity with which the wavefunction decays to zero is
determined by K 2 (eqn 2.44), for the amplitude of the wavefunction decreases to 1/e (or e 1 ) of its
value at the edge of the barrier in a distance 1/ K 2 which is called the penetration depth.

Example

Consider an incident electron of energy E that is traveling at a velocity of 1 105 m/s in region I (see
figure 2.7). Calculate the penetration depth of a particle impinging on a potential barrier. Assume that
the potential barrier at x = 0 is twice as large as the total energy of the incident particle, or that Vo =
2E. (Mass of an electron 9.11  10-31 kg)

Solution
With V(0) = 0, the total energy is also equal to the kinetic energy so that

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Maxwell Mageto, PhD
QUANTUM MECHANICS I SPH 313

1
E  T  m 2  4.56  1021 J  2.85  10 2 eV
2
Now, assume that the potential barrier at x = 0 is twice as large as the total energy of the incident
particle, or that Vo = 2E. The wave function solution in region II is  2 x   A2e  K2 x where the
constant K 2 (eqn 2.44) is given by
K 2  2mV0  E  /  2
In this example, we want to determine the distance x = d at which the wave function magnitude has
decayed to e 1 of its value at x = 0. Then, for this case, we have K 2 d  1 or
2m2 E  E  2mE
1 d  d
2 2
The distance is then given by
2 1.054  1034
d   11.6 Å
2mE  
2 9.11 1031 4.56  10 21 
Comment

This penetration distance corresponds to approximately two lattice constants of silicon. The numbers
used in this example are rather arbitrary. We used a distance at which the wave function decayed to
e 1 of its initial value. We could have arbitrarily used e 2 for example, but the results give an indication
of the magnitude of penetration depth. The case when the total energy of a particle, which is incident
on the potential barrier, is greater than the barrier height, or E > V0, is left as an exercise.

Exercise 1

The probability of finding a particle a distance d in region II compared to that at x = 0 is given by exp
(-2K2d) i.e e 2 K 2 d . Consider an electron traveling in region I at a velocity of 105 m/s incident on a
potential barrier whose height is 3 times the kinetic energy of the electron. Find the probability of
finding the electron at a distance d compared to x = 0 where d is (a) 10 Å and (b) 100 Å into the
potential barrier. (Ans; 8.72 % ; 2.53  109 %)

Exercise 2

A beam of particles is incident from the left on a potential step given by

 0 x  0 Region I 
V x   
 V0 x  0 Region II 
where V0 > 0. The particle energy E is positive.
(a) Write down the Schrödinger equation in both regions. Find its solutions and associated
wavenumbers.
(b) State the boundary conditions that must be satisfied at x = 0 and apply them to the
wavefunctions found in (a).
(c) Derive the expression for the probability that the incident particle will be reflected at the step.
(d) Hence find the values of the reflection probability in the limits of V0  0 and V0  E .
(e) Calculate the fluxes on both sides of the step and show that they are equal.

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Maxwell Mageto, PhD
QUANTUM MECHANICS I SPH 313

(f) Why do they have to be equal ?

(g) Sketch the wavefunction on both sides of the step. On which side of the step is thewavelength
shorter ?

Exercise 3

A beam of protons moves in one dimension with total energy 1 keV in a region the potential energy
changes from 0 eV to a constant value V as shown in the diagram. Calculate the reflection coefficient
of the beam when it is directed from the left with increasing x.

Calculate the reflection coefficient if, (a) V=999 eV and (b) V=1001 eV

5
Maxwell Mageto, PhD