QUANTUM MECHANICS 1 SPH 313

2.3.4 The Potential Barrier

We now want to consider the potential barrier function, which is shown in Figure 2.8. The more
interesting problem, again, is in the case when the total energy of an incident particle is E  V0 .
Again assume that we have a flux of incident particles originating on the negative x axis traveling in
the + x direction. As before, we need to solve Schrodinger's time-independent wave equation in
each of the three regions.

Figure 2.8 The potential barrier function

The solutions of the wave equation in regions I, II, and III are given, respectively, as
 1 x   A1eiK1x  B1e iK1x (2.59a)
 2 x   A2 e  B2 e
K2 x  K2 x
(2.59b)
 3 x  A3e  B3e
iK1 x iK1 x
(2.59c)
where
2mE
K1  (2.60a)
2
and
2mV0  E 
K2  (2.60b)
2
The coefficient B3 in Equation (2.59c) represents a negative traveling wave in region III. However,
once a particle gets into region III, there are no potential changes to cause a reflection; therefore, the
coefficient B3 must be zero. We must keep both exponential terms in Equation (2.59b) since the
potential barrier width is finite; that is, neither term will become unbounded. We have four boundary
relations for the boundaries at x = 0 and x = a corresponding to the wave function and its first
derivative being continuous. For example, the continuity of the wave functions at x = 0 and x = a
leads to the two conditions
A1  B1  A2  B2
A2 e  K 2 L  B2 e  K 2 L  A3 e iK1L
Similarly, the continuity of first derivatives of the wave functions at x = 0 and x = L
iK1 A1  iK1 B1   K1 A2  K1 B2
K 2 A2 e  K 2 L  K 2 B2 e  K 2 L  iK1 A3 e iK1L

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

We can solve for the four coefficients B1 , A2 :, B2 . and A3 in terms of A1 . The wave solutions in the
three regions are shown in Figure 2.9.

One particular parameter of interest is the transmission coefficient, in this case defined as the ratio of
the transmitted flux in region III to the incident flux in region I.
Then the transmission coefficient T is
 . A . A A . A
T  t 3 3  3 3 (2.61)
 i . A1. A1 A1. A1

The wave functions through the potential barrier .

Figure 2.9 The magnified wave functions through the potential barrier .

where  t and  i are the velocities of the transmitted and incident particles, respectively. Since the
potential V = 0 in both regions I and III, the incident and transmitted velocities are equal. The
transmission coefficient may be determined by solving the boundary condition equations. For the
special case when E << V0 we find that
 E  E
T  16   1   e 2 K 2 a (2.62)
 V0   V0 
Equation (2.62) implies that there is a finite probability that a particle impinging a potential barrier will
penetrate the barrier and will appear in region III. This phenomenon is called tunneling and it, too, contradicts
classical mechanics. We will see later how this quantum mechanical tunneling phenomenon can be applied to
semiconductor device characteristics, such as in the tunnel diode. The term tunneling denotes the penetration of a
particle into a classically forbidden region (as in fig. 4) or the passage of a particle through a potential-energy barrier whose
height exceeds the particle’s energy. Tunneling is most prevalent with particles of small mass (macroscopic particles).
Electrons tunnel quite easily; hydrogen atoms tunnel more readily than heavier atoms.

Applications of “tunneling”

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

The concept of tunneling, whereby a quantum particle penetrates through a classically disallowed
region, has also been applied to many situations with spectacular success. Three examples suffice.
1. A new ultra-Microscope : A new class of microscopes (with atomic resolution) that exploit
the tunneling current between a specimen and a very sharp tip has been developed e.g. the
tunneling tip of a scanning tunneling microscope (STM), the scanning principle, and an image
at atomic resolution of a silicon crystal surface. The tunneling tip is scanned over the specimen,
producing an image of the tunneling current. The STM uses tunneling of electrons through
the space between the extremely fine tip of a metal wire and the surface of an electrically
conducting solid to produce images of individual atoms on the solid’s surface. The tunneling
tip is scaned over the specimen, producing an image of the tunneling current. An image of a
silicon crystal surface produced by a STM.
2. Alpha particle deacy : The explanation of alpha particle decay as the tunneling of an alpha
particle out of the nucleus explained the tremendous variation of alpha particle lifetimes (25
orders of magnitude) as being due to the rather small differences in barrier parameters. This
remains one of the most impressive ranges of applicability of a single theory in physics.
3. The end of the road for the classical computer: So far, miniturisation and very large scale
integration of microchips has proceeded by pushing engineering technology boundaries. How
far can we continue this game? It turns out that the tunneling process represents a physics
limit for the miniaturisation of feature size on a chip. No technological process can go beyond
this boundary without changing the physical basis of the computational device. From this
point on, we are in the realm of the quantum computer, and the classical computer can go no
further. The tunneling could be between neighbouring wires or across the gate:

Example
Consider an electron with an energy of 2 eV impinging on a potential barrier with V0  20 eV and a
width of 3Å. Calculate the probability of an electron tunneling through the potential barrier (see figure
2.8).

Solution

K2 
2mV0  E 


2  9.11 1031 20  2 1.6  1019  2.17 1010 m 1
2 1.05410 
 31 2

T  160.11  0.1e 22.1710 310   3.17 106

10 10

Comment
The tunneling probability may appear to be a small value, but the value is not zero. If a large number
of particles impinge on a potential barrier, a significant number can penetrate the barrier.

Exercise

1. Estimate the tunneling probability of an electron tunneling through a rectangular barrier with
a barrier height of V0, = 1 eV and a barrier width of 15 Å. The electron energy is 0.20 eV (
T  2.76  106 )

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

2. For a rectangular potential barrier with a height of V0 = 2 eV and an electron with an energy
of 0.25 eV, plot the tunneling probability versus barrier width over the range 2  a  20 Å.
Use a log scale for the tunneling probability.
3. A certain semiconductor device requires a tunneling probability of T = 10 5 for an electron
tunneling through a rectangular barrier with a barrier height of V0 = 0.4 eV, The electron
energy is 0.04 eV. Determine the maximum barrier width. (ans: a = 19.3 Å)
4. A beam of particles of mass m is incident from the left on a potential barrier given by
0 ; x0
V 
V0 ; x0
If the particle energy E < V0 , solve the Schrödinger equation in the region of x  0 and find
the wave function there. Sketch it. Find an expression for the penetration depth. What will
the penetration depth be in the limit of V0   ? How do you interpret your answer?

3.3 The Quantum Harmonic Oscillator

The quantum harmonic oscillator is the quantum-mechanical analog of the classical harmonic
oscillator. Because an arbitrary smooth potential can usually be approximated as a harmonic potential
at the vicinity of a stable equilibrium point, it is one of the most important model systems in quantum
mechanics. Furthermore, it is one of the few quantum-mechanical systems for which an exact,
analytical solution is known.

The pendulum, a particle attached to a spring, or many vibrations in atoms and molecules can be
described as a harmonic oscillator. Hence, the harmonic oscillator is one of the most important
examples in quantum mechanics. Its quantum mechanical version can be described by the 1D
Schrodinger equation.
The classical equation for a harmonic oscillator is given by

d 2x
2
 2x (3.3.1)
dx

where   K / m and K is the spring constant, and m is the mass of the particle. The potential
energy of a particle attached to a spring is given by
1
V ( x )  m 2 x 2 (3.3.2)
2
Consequently, the above potential energy can be used in the Schrodinger equation to describe the
trapping of wave modes. The kinetic energy of the particle is described by a term proportional to the
square of the momentum operator. Hence, the corresponding 1D Schrodinger equation is
 2 d 2 n ( x) 1
 2
 m 2 x 2 n ( x)  E n n ( x) (3.3.3)
2m dx 2
with a parabolic potential well. It turns out that this equation has closed-form solutions, yielding the
wavefunction for an eigenstate given by

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

m
1 m  2  x 2  m 
 n ( x)  e H  x  n  1, 2, 3, ......... (3.3.4)
2n n !  
n  
 
1
1  m  4  m2 x 2  m 
or  n ( x)    e Hn   n  1, 2, 3, ......... (3.3.4)
  x
2n n !      

where H n (x) is a “physicists” Hermite polynomial,

H n ( x)  (1) e n x2
 
d n x2
dx n
e (3.3.5)

and the wavefunction is Gaussian tapered. The corresponding energy of the eigenstate is given by
 1 
E n   n     2n  1  (3.3.6)
 2 2
The energy levels are equally spaced  apart. Even the lowest energy state, the ground state, has a
nonzero energy of  / 2 . The higher energy states correspond to larger amplitudes of oscillation,
and vice versa for the lower energy states. In order to kick the quantum harmonic oscillator from the
low energy state to a level above, it needs a packet of energy of  , the quantization energy of a
photon. The physics of quantized electromagnetic oscillations (photons) and quantized mechanical
oscillations (phonons) is intimately related to the quantum harmonic oscillator.

Figure 3.5: Sketch of the eigenstates, energy levels, and the potential well of a quantum harmonic
oscillator .

Show that the first eleven (11) “physicists” Hermite polynomials are as shown below:

H 0 ( x)  1 , H 1 ( x)  2 x , H 2 ( x )  4 x 2  2 , H 3 ( x)  8x 3  12x ,
H 4 ( x)  16x 4  48x 2  12 , H 5 ( x)  32x 5  160x 3  120x
H 6 ( x)  64x 6  480x 4  720x 2  120 , H 7 ( x)  128x 7  1344x 5  3360x 3  1680x
H 8 ( x)  256x 8  3584x 6  13440x 4  13440x 2  1680

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

H 9 ( x)  512x 9  9216x 7  48384x 5  80640x 3  30240x

H10 ( x)  1024x10  23040x 8  161280x 6  403200x 4  302400x 2  30240

Orthogonality
H n (x) is n th -degree polynomial for n = 0, 1, 2, 3,.... These polynomials are orthogonal with respect
x2
for Helium and w( x)  e x for Hydrogen)
2
to the weight function ( w( x)  e 2


0 for n  m
 H n ( x) H m ( x) e dx   2 n n !  mn  2n n ! 
x

2

 1 for n  m
where  mn is the kronecker delta.

EXERCISE
a) The ground state wavefunction of a harmonic oscillator is
1 1
 4   2x
2 2
 2  mk  4
 0 ( x)    e where    2 
    
m 2 x 2
b) Write down the Schrodinger equation of a harmonic oscillator with V  x  
2
c) If the solutions of the Schrodinger equation in (b) above are;

 
2
1  d  2
 n ( )  H n ( ) e where H n ( )  (1) n e
2
2
e and
1
d 
 1
 2
  2 n n !
2
 
 
 x ;

0 for n  m
H ( ) H m ( ) e  d   2 n n !  mn   2n n ! 
2

for n  m
n
 1
H n1 ( )  2H n ( )  2nH n1 ( )  0
d) Show that
1
 2 2  1
 x 2  n     n  
 mk   2
EXAMPLE

kx2
A particle of mass m moves along the x -axis, with a potential energy V  x  
2
(i) Write down the time-independent Schrodinger equation for this particle.
The ground state wavefunction is of the form  1 x   A0 e  ax . The parameter a is a
2
(ii)
function of k , m,  and A0 is a normalization constant. Calculate a and obtain the energy
E of this state.
For parts (iii) and (iv) you may use the integral

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313



e
 ax 2
dx 

a
2
(iii) Determine the expectation values of x and of the kinetic energy in the ground state.
The first excited state is  1 x   A1 xe ax . Calculate the expectation value of x 2 and the
2
(iv)
kinetic energy in the state  1 x  .

SOLUTION
  2 2 kx 2 
(i)     ( x)  E ( x) (i)
 2m x 2 2 
 ( x)  A0 e  ax
2
(ii) Ground state wavefunction;
 ( x)  2 ( x)
 2axA0 e  ax ;  4a 2 x 2 A0 e ax  2aA0 e ax
2 2 2

x x 2

where we used product rule of differentiation

Substituting in eqn (i)
 2
 2 2 2

 kx2 
4a 2 x 2 A0 e  ax  2aA0 e  ax A0 e  ax    A0 e  ax  E. A0 e  ax
2 2

2m  2 
Cancelling the A0 e  ax terms from both sides of the equation and putting like terms
2

together
  2 2 2 k  A  2 a   ax 2
 a   A0 x 2 e  ax   0  e  E A0 e  ax
2 2

 m 2  m 
Cancelling the e  ax terms from both sides of the equation
2

  2 2 2 k  A  2a 
 a   A0 x 2   0   0 x 2  E A0
 m 2  m 
hence equating coefficients of x 2
  2 2 2 k  A  2a 
 a   A0  0 and equating constant terms  0   E A0
 m 2  m 
Leads to
 km   mk 
a 2   2   a   

 4   2 
 2   2 km  k
E    a  . =  
m m 2 2 m
(iii)
 ( x)  e  ax Setting A0  1
2
Take

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

 
1 
  dx   e e dx  e
  ax  ax2 2
 2 ax 2
dx =
0 0 2 2a

 
 1   
 x   dx   x       e  2 ax dx
  2 ax 2
x  
2
2 2 2
e dx
0  2  0  a 
 1    1     1    2 
1
x       .
2
     .  a 
 2   a  2  2a   4  2 a  
      1   32   
3

x     
 .  2  a
2
a 2
 4 2  8 2
 
3
2 2a  a 1  1 2   
x  
2
.a 2
.     .   
8 2   4  4 mk  2 mk 

Pˆ 2 kx 2 k k     k
K ; V ; V    x 2   .  
2m 2 2 2  2 mk  4 m
We found

 k  k  k  k
E ; E   K   V    K      
2 m 2 m 4 m 4 m

(iv)

 1  A1 xe ax Setting A1  1
2
1st excited state

 
3

  x e
 2  2 ax 2
1 1 dx  dx  .a 2
from (iii)
0 8 2
  2 
1   
  x  1 dx  x e
 2 ax 2  2 ax 2
2 4
e dx      dx
 4   a 
1
0 0 0

1   
2
1   1     1  2
3

       .   a 
 4   a   2 2a


 8 2 a   2  


 1       3   52 3 
5

   .  .   a  . a 2
 8   2 2   2  32 2

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Maxwell Mageto, PhD
QUANTUM MECHANICS 1 SPH 313

3 
5
8 2  3 3 2 3
x2   3
. a 2
 a 1 .  . 
 32 2 4 4 mk 2 mk
 .a 2

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Maxwell Mageto, PhD