MP QM - Part 3 - 2021

Part 3
Wave Function
&
Schrödinger Equation
10/10/2021 Quantum Mechanics 1

OUTLINE
• Wave Function and its Characteristics
• Operators, Eigenvalues and Eigenfunctions
• Expectation Values
• Schrödinger Wave Equation
• Some Important Math
• Applications to Schrödinger Equation
– The infinite Potential Well
• Particle in a Box (1 D)
• Particle in a Box (3 D)
• Density of States

De Brogile Matter Waves : Summary
 We have seen that the principle of wave-particle duality holds EQUALLY
well for particles (electrons) and waves (light)
 The de Broglie wave group (Matter Waves) associated with a moving body
travels with the same velocity as the body
 The quantity whose variation makes up matter waves is called the WAVE
FUNCTION or STATE FUNCTION and its symbol is ψ
What is this (ψ)? ……and what are its characteristics?

Wave Function and its Characteristics
ELECTRON SINGLE SCREEN

ELECTRON DOUBLE SCREEN SOURCE SLIT
SOURCE SLITS
AFTER 28 ELECTRONS AFTER 1000 ELECTRONS
AFTER 10,000 ELECTRONS TWO-SLIT PATTERN
 Max Born (1926) proposed that the value of the wave function ψ associated with a
moving body is related to the likelihood (probability) of finding the particle there at
that time.

 The value of the wave function ψ associated with a moving body depends
on the position (x,y,z) in space and on the time t.
 The value of the wave function ψ associated with a moving body depends
on the kinetic (KE) and potential energy (U) of the body.
 ψ(x,y,z,t) is a single valued and continuous function of x,y,z and t (its first
derivative should also be continuous too).
 The physical interpretation of the wave function ψ is somewhat complicated

since the wave function can be a COMPLEX quantity, NEGATIVE as well
as positive. The value of ψ itself has no direct physical significance.

 Max Born used the square of the amplitude of the wave function (    ) to give
2 *
the probability density of finding the particle at a particular point in space.
 Since the sum of probabilities of finding the particle in all places must be equal to
one, we can also write the NORMALIZATION CONDITION
  The sum of the

 dV     dV  1
 2 *

probability over the
  entire space must be 1
which means that must go to 0 as x → ,y→ ,z→ in order that

2 over all space be a finite constant.
 The wave function  for a quantum system is determined by solving SCHRÖDINGER

EQUATION. Its counterpart in classical mechanics is Newton’s second law.

Example 1: 1.Which of the following wave functions cannot have

physical significance in the shown interval? Why not?
  
x x x
ψ is Single valued
(a) (b) (c)
ψ is continuous
dψ/dx is continuous   
x x x
(d) (e) (f)
(g)  = Aeαx - < x < 

Example 2: The wave function of a particle is simplified by
 ( x)  C exp( | x | / xo )
where C and xo are constants. (a) Find C in terms of xo such that the wave function is
normalized. (b) What is the probability of finding the particle between –xo and xo?
Solution: 

(a)  |  ( x) | dx  1
2

 
 C exp(2 | x | / xo )dx  2  C exp(2 | x | / xo )dx
2 2
 0
C
xo
 exp(2| x|/ xo ) 0

 2C 2
2 x
 C xo (0 1)  C 2 xo  1
2
C  1 / xo
 xo  xo
(b) P   |  ( x) | dx  2  C 2 exp(2 | x | / xo )dx

2
 xo 0
 C 2 x0 (e2 1)  1  e2  0.8675  86.75%

Operators, Eigenvalues and Eigenfunctions
 ) is applied to a wavefunction (
If an operator ( f (x ) ) yielding a real constant
(  ) times the same function, i.e.
 f(x )   f(x )
• These terms come from the German Eigenwert, meaning "proper or characteristic value,"
and Eigenfunktion, "proper or characteristic function".
• It is customary to denote operators by using a caret  (or hat)
Example:
An eigenfunction of the operator d2/dx2 is  = e2x, Find the corresponding eigenvalue.
Solution
Here   d 2 dx 2 ,so
 d 2 2x d d 2x  d
  2 e 
dx
 
dx  dx
e   
 dx 

 2e 2x

  4e 2x
 4
Then, the eigenvalue  is 4.

Operators, Eigenvalues and Eigenfunctions
From differentiating the free particle wavefunction
E P
i ( t x ) Remember
 (x ,t )  Ae  
with respect to x and to t. We find that  (x ,t )  Ae i ( t kx )

  E  
 ( x, t )  p ( x, t )  pˆ  ( x, t )  p ( x, t )
i x P  k

i  ( x, t )  E  ( x, t )  Eˆ  ( x, t )  E  ( x, t )
t
so that, p is the operator that corresponds to momentum p and E
 is the
operator that corresponds to total energy E are given by:
  
p
i x
 i 
E
t

Expectation Values
The expectation value (mean value) of a variable is the value obtained if we
measure this variable a large number of times on the same system and then
average the results.
For example, the expectation value of position, x, of a number of identical

particles distributed along the x-axis in such a way that there are n1 particles at
x1 , n2 particles at x2 and so on is x where:
n1x 1  n 2 x 2  .......  n M x M n1 n2
x    x1  x 2  ........
n1  n 2  ............n M n1  n 2  ...n M n1  n 2  .....n M
 P1x 1  P2 x 2  ........  PM x M
where Pi is the existence percentage or the probability of finding the

particles at a position (i).
M
  x    Pi x i
i 1

Expectation Values
In case of quantum mechanics, once the wavefunction (x,y,z,t) for a particle in a
given physical situation is known, the expectation value of the position is given
by:
 
 x  dx    * x dx
2
 x 
 
Furthermore, one can find the expectation value G(x) of any function G(x)
associated with the particle described by a wave function  using the following
equation
 
  G( x) dx
2
G ( x)  G ( x )  dx   *
 
The expectation value p for momentum cannot be calculated this way because,
according to the uncertainty principles, no such function as p(x) can exist. If we
specify x, so that x = 0, we cannot specify a corresponding p since x p  ħ/2.
The same problem occurs for the expectation value E for energy because the
function E(t) is impossible.
Expectation Values
Operators and Expectation Values
Because p and E can be replaced by their corresponding operators
    
p E i
i x t
Thus the expectation value for p is
  
  
 * 
 
p  

*
p  dx  

  *
 i x


 dx 
i 


x
dx

and the expectation value for E is
E 

   dx 
 E
*


* 
 i 
 t



 dx  i 

  * 
t
dx  +
  

Expectation Values
Let us see why expectation values involving operators have to be expressed
through 
* 
p  

p  dx
+
The other alternatives are
   
  
  * 
   

p   p  *  dx       x    0
*
  dx dx  *

   i x  i  i 
Since  and * must be 0 at x = ± , and
  
  
 
p    
*
pdx    
*
 dx      
*
dx
   i x  i 
x
which makes no sense.
In the case of algebraic quantities such as x and U(x), the order of factors
in the integrand is unimportant, but when differential operators are
involved, the correct order of factors must be observed.

Schrodinger Wave Equation
Basically the Schrödinger equation CANNOT be proven (can
not be derived from any more basic principle) but should instead
be viewed as a BASIC PRINCIPLE of quantum mechanics or
as a FUNDAMENTAL EQUATION
Erwin Schrödinger
(1887-1961)
One dimensional time dependent form Austria
 2 2 
  ( x , t )  U  ( x , t )  i  ( x, t ) (1)
2 m x 2
t
where m is the mass of the particle and U is the potential energy.
 The Schrödinger equation can be written in SHORTHAND form by introducing

the HAMILTONIAN OPERATOR
  2 2  
H  U  H  (x , t )  i   (x , t ) (2)
2m x 2
t

Schrodinger Wave Equation
Although Schrödinger is a FUNDAMENTAL EQUATION, in

the next few slides we will try to interpret its meaning in more
tangible ways BUT this is NOT a proof to it and SOME
aggressive assumptions that MAY be not fully correct
will be used.

 Schrödinger Wave Equation
♥ It is natural to ask if we can formulate a suitable wave equation for

quantum-mechanical MATTER WAVES?
 To answer this question we begin from the completely general statement that
the total energy (E) of an object may be written as the sum of its kinetic (KE)-
& potential-energy (U) terms
KE  U  E
or KE   U   E  (3)
 Next we ASSUME that the object we are interested in may be represented as a

wave with the usual SIMPLE form
 ( x ,t )  Ae i ( t kx ) (4)
 What must we DO to combine equations 4 and 3 ?

The TOTAL ENERGY of the object should be related to the FREQUENCY of

the wave through h
E  hf  2f   (5)
2
and the MOMENTUM should be related to the WAVENUMBER through
h h 2
P    k (6)
 2 
Substituting 6 and 7 into 5 we get :
i (
E P
t x ) (7)
 (x ,t )  A e  

E P
E i (  t   x ) E
 ( x, t )  i Ae  i  ( x, t )
t  
 
E  i
t  (8)
i  ( x ,t )  E  (x ,t )
t

Also from 7

E P
2
E P
p i ( t x ) p 2 i (  t   x ) p2
 ( x, t )  i Ae    ( x, t )   2 Ae   2  ( x, t )
x  x 2
 
 2 2 p2
  ( x, t )   ( x, t )  KE  ( x, t ) (9)
2 m x 2 2m
p2  2k 2  2 2
where KE   KE  
2m 2m 2m x2
 Using Equations 8 & 9 we may rewrite Equation 3 to finally obtain the

SCHRÖDINGER EQUATION
 2 2 
  ( x , t )  U  ( x , t )  i  ( x, t )
2 m x 2
t

 More on Schrödinger Wave Equation
If the potential energy (U) is function in position only, the time independent Schrödinger
equation is obtained by rewriting the wave function in separated-variable form
 ( x, t )   ( x ) (t )
With this substitution Equation 1 can be rewritten as
 2 d 2  ( x) d  (t )
  (t )  U ( x )  ( x ) ( t )  i  ( x )
2m dx 2 dt
Next we divide both sides of the equation by (x)(t) to obtain
 2 1 d 2  ( x) 1 d (t )
  U ( x )  i (10)
2m  ( x) dx 2 (t ) dt
Note that the LHS of Equation 10 is independent of TIME and the RHS is independent of
position so that BOTH sides are equal to a CONSTANT independent of time OR position
 2 1 d 2 ( x) 1 d (t )
  U ( x)  C i C
2m  ( x ) dx 2  (t ) dt
 More on The Schrödinger Equation
It is obvious from Eq.(8) that the relevant constant is just the TOTAL ENERGY of the
particle which leads us to TWO new equations
 2 2
  ( x)  U  ( x )  E ( x )
TIME-INDEPENDENT
2m x 2 SCHRÖDINGER EQUATION
(t )
 E(t )
ENERGY EIGENFUNCTION
i TEMPORAL EQUATION
t
The solution to the above equation is
(t ) i (t ) i i
 E t     E t  ln (t )  Et
(t ) h (t ) h h
i
 Et
(t ) e   eit

 The Time-Independent Schrodinger Equation
(Another Treatment)
Here we follow the treatment of McQuarrie. We start with the one-dimensional

classical wave equation,
 2  (x , t ) 1  2  (x , t )
 2
x 2
v t 2
By introducing the separation of variables  ( x, t )   ( x ) (t )
we obtain
 2 1  2
 (t ) 2  2  (x ) 2
x v t
If we introduce one of the standard wave equation solutions for φ(t) such as e-it:
 2 2
  2  (x )
x 2
v

 The Time-Independent Schrodinger Equation
(Another Treatment)
Now we have an ordinary differential equation describing the spatial amplitude
of the matter wave as a function of position. The energy of a particle is the sum
of kinetic and potential parts
we have p2
E  U ( x)
2m
h h
 
p {2m E U ( x) }
1/2
2 4 2 f 2 4 2 2m[ E  U ( x)]
  2 
v 2
v 2
 2
 2( x) 2m
2 
 E  U ( x ) ( x )  0
x 2


Potential Energy (U)
 2 ( x) 2m
2 
 E  U ( x) ( x)  0
x 2

Energy (E)
Wave Function (ψ) Discrete or continuous
Probability of finding the particle at Momentum, kinetic

a certain point and certain time (ψ) energy, velocity, …

Some Important Math
Euler Formula
ei  cos   i sin 
Second Order Differential Equations
( )
The general solution of + 𝛼 𝑓(𝑥)= 0 where 𝛼 is constant may be:
i x i  x
 If 𝟐
>0 f ( x)  Ae  Be
or The constants A, B, C and
D are calculated from the
f ( x)  C sin(  x)  D cos(  x)
boundary conditions
 If 𝟐< 0 let  2   2 f ( x)  Ae
x
 Be
 x
or
f ( x)  C sinh(  x )  D cosh(  x )
 If 𝟐= 0 f ( x)  Ax  B

Infinite Potential Well
(Particle in a Box)
• There are a number of very important problems where a particle is confined to
a certain region in space by a force (potential energy gradient).
Examples of such problems include electrons in atoms, atoms in a

lattice, electrons trapped in defects of a crystal………etc.
• The infinite potential well is a finite sized region in space (the box)
with an infinite potential at its boundaries (the walls)
• A particle experiences no forces while inside the box, but as the

walls are 'infinitely high', it is constrained to remain in the box.

Particle in a Box (1D)
We start with a problem of a particle in a simple quantum well with infinitely

high walls (ONE-DIMENSIONAL problem).
In classical mechanics, the solution to the problem is trivial. The particle moves in a
straight line, always at the same speed, until it reflects from a wall.
U=
x=0 x=L x
Outside of the well,
(x)=0 since the
A PARTICLE OF MASS m IS CONFINED particle cannot escape U=0
IN AN IMAGINARY ONE-DIMENSIONAL
the well. x=0 x=L
BOX OF LENGTH L
THE BOX IS MODELED AS A POTENTIAL WELL
WITH INFINITELY-HARD WALLS

The Schrödinger equation inside the well may be written as

d 2  ( x ) 2m
 2 E ( x)  0
dx 2

d 2( x)
2
 k 2
 ( x)  0
dx
2mE
where k  is the wave number .

In this problem it will be SIMPLER to write the solutions to the Schrödinger
equation inside the box as
 ( x)  A sin(kx)  B cos( kx)
where A and B can be determined by the BOUNDARY CONDITIONS,

 (x  0)  0 and  (x  L )  0.

The first boundary condition requires
 ( x  0)  A 0  B 1  0 or B  0
2m E
  ( x)  A sin(kx ). k 

The second boundary condition requires
 ( x  L )  0  A sin(kL)
 kL  n  (n  1, 2, 3, ...)
n 2 n 2L
k     , n  1, 2, 3,
Our analysis shows L  L n
that a crucial
consequence of   2 2  2
trapping a particle in a  E   2
n Another result of our
box is that the energy  2mL  analysis is that the trapped
of the particle is now particle CANNOT have
QUANTIZED. ZERO energy

The WAVE nature of the particle causes energy QUANTIZATION which becomes more
important as we confine the particle in a SMALLER box.
E E
n=4 n=3
  2 2  2
E   2
n
 2mL 
n=3
n=2
n=2
n=1
n=1
0 0
PARTICLE IN A BOX PARTICLE IN A

L = L1 SMALLER BOX
L = L 2 < L1
The quantum effects are obvious when the de Broglie wavelength of the particle is
comparable to the surrounding dimensions. This means that the interference and
diffraction phenomena become evident.
Quantum effects are, however, NOT important for MACROSCOPIC (large m and L)
objects since the quantization effects are too SMALL to observe.
n
Again  ( x )  A sin( x)
L
“A” in the above expression can be determined by the normalization condition

  ( x)  ( x ) dx  1
*
n

* ( x)  A sin( x)
L
L
n L
A  sin 2 (
2
x ) dx  A2  1 1
0 L 2 sin 2   1  cos(2 )
2
2
 A
L
Now we have the normalized wave function for the particle in the quantum well,
2 n
 n ( x)  sin( x)
L L

A QUANTUM particle within a box at a certain level (n) moves with a constant
velocity but the probability of finding the particle is NOT the same at all points
in the box
(x): n = 3 *(x) (x): n = 3
(x): n = 2 *(x)(x): n = 2
(x): n = 1 *(x)(x): n = 1
0 L 0 L
x x
The squared amplitude of the wave function is plotted for the first three energy levels for the quantum
particle in a box
For n = 1 we see that there is a higher probability of finding the particle at the center of the box
while for n = 2 the corresponding probability is zero!
As we go to higher values of (n), the wavelength of the particle gets shorter and the probability
variation then tends towards the classical result

• Note that the discrete points derived from the infinite well solution
  2 2  2 n
E   2
n P  k  
 2 mL  L
lie along the continuous curve for the free
particle relation (E=P2/2m), which a
parabolic relation..
• It is clear that increasing the width a of the

potential well would cause the discrete points
in the figure to move closer together and
slide toward the origin of coordinates.
• In the limit where L ∞ , the discrete

points would form a continuum. This is
consistent with the particle in a box
becoming a free particle.

Particle in a 3-D quantum box
z
The 1D Schrödinger Equation has to be

replaced with the 3D equation by the
following replacement: L
y
d 2
 2
 2 2
  2
   L
dx 2 x 2 y 2 z 2 L
x
2m
 2 ( x, y, z )  2  E  U ( x, y, z )  ( x, y, z )  0

nx > 0
2 n ny n
 nx ny nz (x,y,z)  ( )3 sin( x x) sin( y ) sin( z z ) ny> 0
L L L L nz > 0
2  
2 2
E  (nx  n y  nz )
2 2
2mL2
n  
2 2 2
E  where n 2  nx2  n y2  nz2
2mL 2

 2 2
E 2
(nx2  n2y  nz2 )
An energy state can be presented by a point in the 2mL
quantum number space. nz

In this space, n is the radius from the origin of the n
coordinate system to a point (nx, ny, nz) ny
nx
Equal values of the energy E lie on the surface of
a sphere of radius n (n 2  nx2  ny2  nz2 ) quantum number space
In certain situations, different states can have the same energy. Such state are said to be
DEGENERATE nz
For examples:
6 2  2
1- States (1,1,2), (2,1,1) and (1,2,1) E  (1,1,2) (1,2,1)
2mL2
are degenerate
2- States (1,2,3), (1,3,2), (2,1,3), (2,3,1), 14 2  2
(3,2,1) and (3,1,2), are degenerate E  ny
2mL2 (2,1,1)
3- States (1,1,6), (1,6,1), (6,1,1), (2,3,5),

(1,1,1)
(2,5,3), (3,2,5), (3,5,2), (5,2,3) and 38 2  2
E 
(5,3,2) are degenerate 2mL2 nx

Density of States
nz
Quantum number space
ny
nx
Since nx, ny and nz ≥ 1, the number of states () with an energy equal to or smaller
than En is equal to one eighth of the volume of the sphere with radius n

1 4 3   2 3/ 2
  2mL  L 3
 2 m 3/ 2
 ( E )   n    2 2  E 3/ 2  2  2  E 3/ 2
8  3  6     6   
Density of States nz
The density of states (Z) is defined as the

number of states per unit energy per unit E
volume (Volume of the material).
n
E+dE
 (E ) 1 d 1 n+dn ny
Z (E )  
E V dE L3
Not including the spin
nx
of electrons
3/ 2
1  2m 
Z (E )    2  E 1/ 2
4 2
Z(E)
INTEGRATING the density of states between

two energy levels gives the number of electron
states in that range per unit volume of metal.
E 2 E
 Z ( E )d E E E+dE
E 1

Density of States
In case of semiconductors
Within the FORBIDDEN energy gap the density of states is required to VANISH
completely
* The density of states must therefore VANISH as the top of the valence band is
approached and then RISE again from zero as we move up the conduction band
* It is usually assumed that at energies relatively CLOSE to the gap the density of states
in both bands follows the FREE ELECTRON form
3/ 2
1  2m 
Z (E )    2  E 1/ 2
E
4 2
3/ 2
Ec
1  2m n* 
Z sc (E  E c )   2  (E  E c )1/ 2
4
ENERGY 2
GAP Eg  
CONDUCTION BAND
Ev
3/ 2
1  2m *p 
Z sv (E  E v )   2  (E v  E )1/ 2
4 2   
Zs(E)
VALENCE BAND

Part 3
Schrödinger Equation Applications

Potential Step - Tunneling

OUTLINE
• Propagation in the Presence of a Barrier

• Particle in a 1D finite well
• Tunneling through a Potential Barrier
• Scanning Tunneling Microscope

Potential Step
Today we wish to consider what happens when an object moves in the presence
of a POTENTIAL BARRIER
 We begin by considering the effects of a STEP-LIKE potential variation whose
effects must now be included in the Schrödinger equation
ENERGY
• Prior to and after the potential step the particle
moves in a region where its potential energy is
CONSTANT and so in these regions the NET REGION I REGION II
force on the particle is equal to ZERO
Uo
• The force acts ONLY at x = 0 and changes the

potential energy of the particle from 0 to Uo
• In order to solve this problem we begin by solving

Schrödinger equation SEPARATELY in the two
x=0 POSITION x
distinct regions x  0 (region I) and x  0 (region
II)

Propagation in the Presence of a Barrier
CASE I: The potential barrier is LESS than the total energy of the particle
(Uo < E) ENERGY
By applying time independent Schrödinger equation in REGION I REGION II

regions I & II E
d  ( x ) 2m
2
 2  E  U   ( x)  0 1 2
dx 2  1+
2+ Uo
1-
Region I Region II x=0 POSITION x
d 2 1 ( x ) 2m d 2 2 ( x) 2m
 2 E 1 ( x)  0  2 ( E  U o )2 ( x)  0
dx 2
 dx 2 
1 (x )  A exp ik 1x   B expik 1x  (1) 2 (x )  C expik 2 x   D exp ik 2 x  (2)
2mE 2m
k 12  k22  (E U o ) 2+
2 1 +
1 -
 2
• A gives the amplitude of the INCOMING wave while B gives the amplitude of the
component that is REFLECTED by the barrier.
• C represents that amplitude of the wave that is TRANSMITTED through the barrier.

Appling the BOUNDARY CONDITIONS to Eqs 1 & 2 leads to:
1  2 x 0
A B C (3)
1 2
 ik 1 ( A  B )  ik 2C (4)
x x x 0
By solving Eqs. 3 & 4 we will arrive at the following MASTER EQUATIONS

k k2 2k 1
B  1 A (5) C  A (6)
k1  k 2 k1  k 2
Even though the total energy of the electron EXCEEDS the barrier height we find
that a fraction of the electron wave function is REFLECTED by the barrier.
 This is the purely QUANTUM phenomenon of OVER-THE-BARRIER

REFLECTION which has NO classical counterpart.

 The incident probability current density or flux of incident particles is equal to
  * d 1  d 1 
*
 Flux may be defined as the
jincident  
 1   1   ik1 A2  ik1 A2  number of particles passing
2mi  dx dx  2mi normally per unit area per
unit time
A2 k1
  A2 v1
m
where v1 is the group velocity of the wave at region I, which 𝜓1+ = A𝑒
−
represents the speed of the incoming particles. 𝜓1+* = A𝑒
Similarly
The transmitted probability current density (incident flux) of particles = C2 v2
The reflected probability current density (reflected flux) of particles = B2 v1
The TRANSMISSION COEFFICIENT, T, is given
jtransmitted | C |2 k2  2k1 2 k2 v1  k1 / m

T     
4k1k2
 k  k  k
| A |2 k1 k1  k2  v2  k2 / m
2
jincident 1 2 1

The REFLECTION COEFFICIENT, R, is given by
T + R =1
jreflected | B |2 v1  k1  k2 2
R    
 k1  k2 

2
jincident | A | v1
• Since E > Uo the transmitted component is GREATER

than the reflected one
2mE
T 4 k 1k 2 4( k 2 / k 1 ) k1 
 k 2  k1   2
k 1  k 2  1 (k 2 / k 1 )
2 2
R
2m ( E  U o )
k2 
• The reflected component is VERY SMALL when E >> Uo 2
which corresponds to an extremely SMALL barrier height
 k 1  k 2 2
 k2  k1 as E  U o R    0
 k  k 
1 2

• APPLICATION
* An electron with total energy of 2 eV impinges on a potential barrier of semi-infinite

length and of height of 1 eV. What is the velocity of the electron away from and in the
barrier region?
2mE 2  9.11031  2 1.61019

k1   68
 7.3109 m1
 2
1.110
P k
v1  1  1  8.4 105 ms1
m m
2 m( E  U o ) 2  9.11031 11.6 1019
k2   68
 5.1109 m1
 2
1.110
k
v2  2  5.9 105 ms1
m
 Note how the particle SLOWS down as it enters the barrier and some of its kinetic
energy is converted to potential energy.

CASE 2: The potential barrier is greater than the total energy of the particle
(Uo > E) ENERGY
REGION I REGION II
• If the barrier height exceeds the particle energy then
the particle is classically FORBIDDEN from moving
in the region where x > 0 Uo
 This is analogous to the situation where an object does not x=0 POSITION x
have enough kinetic energy to climb to the top of a hill.
• In QUANTUM MECHANICS however there is actually a small probability

of finding the particle inside the barrier as we now show.
• When Uo > E the wave number inside the barrier is an IMAGINARY quantity
d 2 2 ( x) 2m 2m
 2 ( E  U o )2 ( x)  0  (U o  E )
dx 2  2

Substituting this wave number into the wave function inside the barrier we obtain
2 ( x )  C e x  D e  x (7)
• Since the wave function decays exponentially inside the barrier, it is EXTREMELY
sensitive to changes in the barrier height
(x) (x)
1 2 > 1
x x
Eq. (7) shows that the wave function does NOT vanish completely inside the
barrier region indicating that there is a SMALL probability of finding the particle
here (TUNNELING EFFECT).

• APPLICATION
* Electrons with energy of 2 eV are incident on a potential barrier that is 10 eV high.

Estimate the approximate distance that electrons are able to tunnel into the barrier
Answer:
2m(U o  E ) 2  9.11031  (10  2) 1.61019 1
   1.5 1010
m
2 1.11068
 To a reasonable order of magnitude, the tunneling distance may be taken as the

value of x for which the wavefunction decays to 1/e of its initial value
 (x )  Ce  x and we require x such that  ( x )  Ce 1  x  1
1 1
x    0.7 Angstroms
 1.51010

Particle in a 1D finite well
By applying time independent Schrödinger
equation to regions I, II and III
Uo
 d ( x)
2 2
 2
 U ( x ) ( x )  E  ( x )
2m dx
d 2  ( x) 2m(U o -E)
Region I :   2
 ( x) where     ( x)  Ce  x
dx 2

d 2 (x ) ikx
Region II :  k 2
 ( x )   ( x )  Ae ikx
 Be
dx 2
d 2  ( x) 2m(U o -E)
Region III :   2
 ( x) where    ( x)  Ce x
dx 2

The constant in the last equation is taken (C) like in region (I) because of
the symmetry.
Particle in a 1D finite well
In contrast to the case where the walls are infinitely high, here the wave functions
can penetrate into the walls. The penetration length is
1 
 
 2m(U o -E)
As expected, the penetration length decreases to zero if Uo>>E.

Tunneling through a Potential Barrier
A square barrier is represented by a potential energy U(x) that is constant at Uo in the
barrier region, say between x = 0 and L, and zero outside this region.
The treatment is basically the same as that given previously for the semi-infinite barrier
but now we have wave solutions in THREE regions
2 (x )  Ce  x  De  x
2m
2  (U o  E )
2
 1 ( x)  Aeikx  Be  ikx  3 ( x)  Eeikx  Fe  ikx

E
2mE Uo 2mE
k2  k2 
2 2
x=0 x=L x
Note that in regions III, only forward propagating wave exists, and that is why there is only one term

To ensure a CONTINUOUS wave function solution that is valid for ALL values of
x we next apply the boundary conditions at TWO points:
1 (x  0)  2 (x  0) A B C D
1 2
 ik (A  B )   (C  D )
x x 0 x x 0
2 (x  L )  3 ( x  L ) Ce  L  De  L  Ee ikL
1 2
  (Ce  L  De  L )  ikEe ikL
x x L x x L
The idea is to solve these equations to obtain the TRANSMISSION COEFFICIENT

2
E 1
T  
A   2 2
2 
  k    sinh ( L )
1  
2
  2k   
 
The sketch shows the transmission coefficient T(E)
for a square barrier. Oscillations in T(E) with E are
called TUNNELING RESONANCES where T(E)
can be as large as 1 ( 100% transmission!) It occurs
only when E > Uo.
Uo
  2 2 2 
 k   
T (E )  1 1  sinh ( L )
2
  2k   
 
As k → 0  T→0
As γ → ∞  T→0
As L → ∞  T→0
The figure above depicts the variation of
the transmission coefficient (T) versus
particle energy (E) for a barrier of
height (Uo) of 0.3 eV and width of 1 nm

  2 2 2 
 k   
T (E )  1 1  sinh ( L )
2
  2k   
 
Uo
In case of a STRONG barrier ( >> k ) in which the wave function decays strongly
(L>>1/ or  L>>1) it may be shown that the above equation can be written in a
SIMPLER approximate form:
16 E (U o  E ) 2  L
T  2
e
2  L
T e
Uo
2m
where   (U o  E )
 2

• APPLICATION
* Electrons with an energy of 2 eV are incident on a barrier of height of 10 eV. Compute

the transmission probability when the barrier width is 5 Å and 10 Å
•Answer:
Recall that we previously found  = 1.51010 m-1 for this problem.
 T (L  5 A )  e 2  L  exp 2 1.51010  51010   exp 15  3.1107

 
& T (L  10 A )  e 2  L  exp 2 1.51010 10 1010   exp30  9.41014

 
 Both probabilities are extremely SMALL since we have already seen that the
tunneling distance for these electrons is just 0.7 Å
 Also note that the exponential sensitivity which ensures that DOUBLING L
reduces T by more than SEVEN orders of magnitude!

Scanning Tunneling Microscope
A fascinating APPLICATION of tunneling is provided by the SCANNING TUNNELING
MICROSCOPE in which a fine metal tip is scanned a SMALL distance above some surface
that is to be studied.
A tunnel current flows between this tip and the surface and the value of this current
depends sensitively on the DISTANCE between the tip and the surface.
T  e 2  L
ATOMIC SCALE
FEATURES ON
THE SURFACE OF
COPPER!
By scanning the tip across the surface the surface profile can therefore be MAPPED OUT

Appendix
Taylor expansion and the continuity

equation
10/10/2021 Modern Physics & Quantum Mechanics - Part 1 58

Taylor Expansion
f
For first order approximation

f(x2)
f ( x2 )  f ( x1 ) f f(x1)
slope  
x x
f x
f ( x2 )  f ( x1 )  x
x x1 x2 x

Continuity Equation
Let us define the following quantities:
  density of particles: number of particles per unit volume.
j  flux or probability current density: amount of particles passing per unit time per
unit area.
To derive a one dimensional continuity equation, consider
j(x) j(x+x)
the infinitesimal volume shown in the next figure. The
overall rate of change of the number of particles is found as
follows. A x
x x+x
The number of particles entering from the left per second is j ( x ) A
The number of particles leaving from the right per second is j  x   x  A
Then, the rate of change of the density of the particles in 

Ax  j  x  A  j  x  x  A
𝝏𝝆
the slab ( ) can be found from: t
𝝏𝒕
j   j 
From Taylor Expansion j  x  x   j  x   x Ax  j  x  A   j  x   x  A
x t  x 
Therefore, the continuity  j

equation for the particles: 
t x
EXTRA Probability Current Density
An important feature of the wavefunction is that it must guarantee that probability is
CONSERVED
• If the probability of finding a particle in some region decreases with time, then the probability of
finding it outside this region must increase by the SAME amount.
• Conservation of probability requires that the wavefunction to satisfy the “Continuity Equation”
 * j
 ( x , t )  ( x, t )   (1)
t x
j in this equation is a PROBABILITY-CURRENT DENSITY

To obtain an actual expression for the probability current density, we start from the simple
1-D Schrödinger Eq.
2  2  
  U   i  (2)
2m x 2
t
The COMPLEX CONJUGATE of this equation may be written as
2  2 *  *
  U    i
*
(3)
2m x 2
t
* Next we multiply (2) by * and (3) by 
2 *  2  * 
Continuity Equation
   U  *
  i   (4)  * j
2m x 2 t t
 
x
2  2*  *
   U    i
*
(5)
2m x 2
t
Subtracting Equation (4) from Equation (5) yields
2   2* *  
2
 *   *   * j
      i        i      i  (6)
2m  x 2 x 2   t t  t x
The last equation can be rewritten in a following form
   * 2  2  *      *   *  
j   2 
      (7)
x 2mi  x 2
x  x  2mi  x x  
From Eq. 7 we see that the PROBABILITY CURRENT DENSITY may finally be written
as
  *   * 
j   
2mi  x x 

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Part 3

10/10/2021 Quantum Mechanics 1

10/10/2021 Quantum Mechanics 2

What is this (ψ)? ……and what are its characteristics?

10/10/2021 Quantum Mechanics 3

ELECTRON SINGLE SCREEN

AFTER 28 ELECTRONS AFTER 1000 ELECTRONS

AFTER 10,000 ELECTRONS TWO-SLIT PATTERN

10/10/2021 Quantum Mechanics 4

 The physical interpretation of the wave function ψ is somewhat complicated

10/10/2021 Quantum Mechanics 5

the probability density of finding the particle at a particular point in space.

  The sum of the

which means that must go to 0 as x → ,y→ ,z→ in order that

 The wave function  for a quantum system is determined by solving SCHRÖDINGER

10/10/2021 Quantum Mechanics 6

Example 1: 1.Which of the following wave functions cannot have

(d) (e) (f)

(g)  = Aeαx - < x < 

10/10/2021 Quantum Mechanics 7

(b) P   |  ( x) | dx  2  C 2 exp(2 | x | / xo )dx

 C 2 x0 (e2 1)  1  e2  0.8675  86.75%

10/10/2021 Quantum Mechanics 8

Then, the eigenvalue  is 4.

with respect to x and to t. We find that  (x ,t )  Ae i ( t kx )

10/10/2021 Quantum Mechanics 10

For example, the expectation value of position, x, of a number of identical

where Pi is the existence percentage or the probability of finding the

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Since  and * must be 0 at x = ± , and

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where m is the mass of the particle and U is the potential energy.

 The Schrödinger equation can be written in SHORTHAND form by introducing

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Although Schrödinger is a FUNDAMENTAL EQUATION, in

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♥ It is natural to ask if we can formulate a suitable wave equation for

 Next we ASSUME that the object we are interested in may be represented as a

 What must we DO to combine equations 4 and 3 ?

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The TOTAL ENERGY of the object should be related to the FREQUENCY of

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 Using Equations 8 & 9 we may rewrite Equation 3 to finally obtain the

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With this substitution Equation 1 can be rewritten as

The solution to the above equation is

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Here we follow the treatment of McQuarrie. We start with the one-dimensional

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Probability of finding the particle at Momentum, kinetic

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Second Order Differential Equations

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Examples of such problems include electrons in atoms, atoms in a

• A particle experiences no forces while inside the box, but as the

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We start with a problem of a particle in a simple quantum well with infinitely

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The Schrödinger equation inside the well may be written as

where A and B can be determined by the BOUNDARY CONDITIONS,

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