SCHRÖDINGER EQUATION

AND APPLICATIONS

Tran Thi Ngoc Dung – Huynh Quang Linh – Physics A2 HCMUT 2016
CONTENTS
I. Schrödinger equation
II. Applications of Schrödinger equation
1. Particle in a 1-D infinite potential well
2. Tunnel effect
I. Schrödinger Equation
i 
De Brogile wave function of a free   ( Et  p. r )
particle of energy E, momentum p:  ( r , t )  o e 
i
Wave function of a particle moving in a  
  ( Et )
field that having potential energy U(r) is: ( r , t)   ( r )e

 ( r ) satisfies the time-independent  2m  
( r )  2 (E  U( r ))( r )  0
Schrödinger equation 

Schrodinger equation Newton 2nd law

in Quantum Mechanics in Classical mechanics

Wave function that describes the

Solving Schrodinger equation state of the particle, and the
possible energy levels of the
particle
If 1, 2 are the solutions of Schrödinger equation, =C11+C2  2 is also
Derive Schrödinger Equation
FOR A FREE PARTICLE
i i
 ( Et  p .r )  ( Et  p x x  p y y  p z z )
 (r , t )   o e   oe
 i i
 ( Et  px x  p y y  p z z )
 px  o e
x
2  i  2
2 i
 ( Et  px x  p y y  p z z ) px2
   px  o e   2  (r , t )
x 2
 
2 p y2  2 pz2
  2  (r , t );   2  (r , t )
y 2
z 2

 2  2  2 px2  p y2  pz2 p2
 (r , t )   2  2   (r , t )   2  (r , t )
x 2 y z 2

p2
E  p 2  2mE
2m
i i
 ( Et ) 2mE  ( Et )
 (r )e   2  ( r )e
 2mE 
2mE ( r )  2 ( r )  0
 (r )  2
 (r )  0 
Derive Schrödinger Equation (cont.)
+ For a free particle

E: is the Kinetic energy of the free particle

 2mE 
( r )  2 ( r )  0


+ For a particle in a region of potential energy U(r),

E is the energy of the particle, and KE is E-U

 2m  
  ( r )  2 (E  U( r )) ( r )  0

Schrödinger Equation (cont.)

  ( r )
2
  
  U ( r )) ( r )  E ( r )
2m 2m

2 d2 
  ( x )  U ( r )) ( x )  E (x)
2m 2  
 dx
 PE Total
KE Energy
REVIEW about wave fuction
The statistic meaning of de Broglie Wave of a particle
 2
probability of finding the o2 | ( r , t ) |  (.* )
particle per unit volume=
probabilty density .
 2
probability of finding the dP |  ( r , t ) | dV
particle in a volume dV

 2
probability of finding the particle P   |  ( r , t ) | dV
in a volume V V

probability of finding the   2

particle over all space =1 (the P   |  ( r , t ) | dV  1
particle is certainly found) 
Normalized Condition of the wave
function / Điều kiện chuẩn hóa của
hàm sóng
Constraints on Wavefunction
In order to represent a physically observable system, the
wavefunction must satisfy certain constraints:

(x,t)
- Must be a single-valued function
- Must be normalizable. This implies that the
wavefunction approaches zero as x approaches infinity.
- Must be a continuous function of x.
- the first derivative of (x,t) must be continuous
II. Application of Schrodinger equation
1. Particle in a 1-D infinite potential energy
well
 U 
Particle in a 1-D infinite potential
energy well

U  0 0xa
 x  0, x  a

O a x
Particle can move freely inside the well, but it can not overcome the
potential barrier to get outside.
For example: Electron in the metal can move freely, but it needs energy for
escaping the metal
  2 d 2  ( x)
  U ( x) ( x)  E ( x)
KE term 2m dx 2
Total E term
PE term

U(x) This is a basic problem in “Nano-science”. It‟s a

  simplified (1D) model for an electron confined in a
quantum structure (e.g., “quantum dot”), which
scientists/engineers make, e.g., at the UIUC
Microelectronics Laboratory! (www.micro.uiuc.edu)

„Quantum
0 L
dots‟
U = 0 for 0 < x < L
U =  everywhere else
(www.kfa-juelich.de/isi/) (newt.phys.unsw.edu.au)
1. Particle in a 1-D infinite potential energy well
SOLUTION
 2m  
U=0, problem is 1-D, =>(x)   ( r )  2 (E  U( r )) ( r )  0

d 2  ( x ) 2m 2m
2
 2 E ( x )  0 k  2 E
2
dx  
 ( x )  A sin kx  B cos kx
x  0,  (0)  B  0
x  a ,  (a )  A sin ka  0  ka  n
n
k , n  1,2,3....
a
n 2 n
n ( x )  A sin( x ) n ( x )  sin( x )
a a a
2
2m  n 
a a n  A 2
a k2  2 E   
 n
|  ( x ) | 2
dx   A 2
sin 2
( x )dx  1   a 
0 0 a 2
n 2 2 2 2 h
2

 A 
2 En  2
n
a 2ma 8ma 2
1. Particle in a 1-D potential energy well
Conclusion
1. Wave function depends on an
2. The energy of the particle is quantized
integer n (quantum number)
n 2 2 2 h 2
2 n
En   n 2
n ( x )  sin( x )
2ma 2 8ma 2 a a

2 
1 ( x )  sin( x )
a a
2 2
2 ( x )  sin( x )
a a
2 3
3 ( x )  sin( x )
a a
FINITE POTENTIAL ENERGY WELL
FINITE POTENTIAL WELL
INFINITE POTENTIAL WELL FINITE POTENTIAL WELL
Finite potential well
Finite potential well: In a potential well with finite depth the energy levels are
lower than those for an infinitely deep well with the same width, and the number
of energy levels corresponding to bound states is finite
 + at n=3, the probability density is
|(x)|2 maximum at x= a/6.a/2,5a/6
In the state n, the probability + +the probability to find the
density to find the electron has n particle of state n=2 in the interval
antinode and n+1 node x=a/4 and 3a/4 is ½
+ + the probability to find the
particle of state n=3 in the interval
x=a/4 and 3a/4

0 a/6 a/3 a/2 2a/3 5a/6 a n=3, E2=9E1

3a / 4 3a / 4 2 3
 | n 3 ( x ) | dx   x )dx  0.4
2
sin 2 (
a/4 a/4 a a

n=2, E2=4E1
0 a/4 a/2 3a/4 a

n=1 , E1

0 a/2 a x
TUNNELING EFFECT
Particle has energy E, encounter a potential barrier of potential
energy Uo, the energy of the particle E<Uo
+ In classical mechanics ,the particle cannot pass over the barrier.
The probability to find the particle behind the barrier is zero.
+ In quantum mechanics, The probability of finding the particle
behind the barrier is not zero. The particle can tunnel the barrier
=>Tunneling effect
TUNNEL EFFECT
Particle has energy E, encounter a potential barrier of potential
energy U, E<U

U 0 x0
Uo

U  U o 0xa
(I) (II) (III) 0 xa
E


Transmission coefficient
O a x

|  3 ( x ) |2 | A 3 |2 probability density behind

T  the barrier
| 1 ( x ) | 2
| A1 | 2 = ------------------------
probability density coming to
the barrier
TUNNEL EFFECT
Tunnel effect
d 2 1 ( x ) 2m 2m
(1) 2
 2 E1 ( x )  0 ; k1  2 E
2
dx  
d 2 2 ( x ) 2m 2m
( 2)  (
2 
E  U )  ( x )  0 ; k 2
 (U o  E)
dx 2
   o 2 2
 2
0

d 2 3 ( x ) 2m 2m
(3) 2
 2 E3 ( x )  0 ; k12  k 32  2
E
dx  
( 4) 1 ( x )  A1eik 1x  B1e ik 1x
(5) 2 ( x )  A 2e k 2 x  B2e k 2 x
( 6) 3 ( x )  A 3eik 1 ( x a )  B3e ik 1 ( x a )
d1 d2
x  0; 1 (0)  2 (0);  + wave function
dx x 0 dx x 0
continuous

d d3 + the first

x  a; 2 (a )  3 (a ); 2  derivative is
dx x a dx x a continuous
 U
Uo
1 ( x )  A1eik 1x  B1e ik 1x
2 ( x )  A 2e k 2 x  B2e k 2 x
(I) (II) (III)

E
3 ( x )  A 3eik 1 ( x a )  B3e ik 1 ( x a )
O a x

ik 1x
Incident wave: A1e
ik 1x
Reflection wave B1e
Transmission wave: A eik 1 ( x a )
3
ik 1 ( x a )
Reflection wave from the B3e
infinity
But there is no reflection => B3=0
(7 ) A1  B1  A 2  B2
(4) 1 ( x )  A1eik1x  B1e  ik1x
(8) ik1 (A1  B1 )  k 2 (A 2  B2 )
(5) 2 ( x )  A 2 e k 2 x  B2 e  k 2 x
(9) A 2 e k 2a  B 2 e  k 2a  A 3 ( 6) 3 ( x )  A 3eik1 ( x a )
(10) k 2 (A 2e k 2a  B2e k 2a )  ik1A 3 d1 d2
x  0; 1 (0)  2 (0); 
k1 dx x 0 dx x 0
n
k2 d2 d3
x  a; 2 (a )  3 (a ); 
dx dx
(7 ) A1  B1  A 2  B2 x a x a

1
(8) (A1  B1 )  (A 2  B2 )
in
(9) A 2 e k 2a  B 2 e  k 2a  A 3
(10) (A 2e k 2a  B2e k 2a )  inA 3
2
A3  4n  4n 
T   e  k 2 a  e  k 2 a 
A1  (n  i)(1  in)  (n  i)(1  in ) 
2
16n  2k 2 a
T e
(1  n 2 ) 2
(7 ) A1  B1  A 2  B2 1  in
(9)  (10)  A 2  A 3e k 2a
1 2
(8) (A1  B1 )  ( A 2  B2 ) 1  in
in (9)  (10)  B2  A 3e k 2a
2
(9) A 2 e k 2a  B 2 e  k 2a  A 3 1 1 1 1
(7)  (8)  A1  (1  )A 2  (1  )B2
(10) (A 2e k 2a  B2e k 2a )  inA 3 2 in 2 in
A 2  B2
1 1 1 i  1  in 
A1  (1  )B2  1   k a
A 3e 2
2 in 2  n  2 
A3 4n
 e  k 2a
A1 (n  i)(1  in )

2
A3  4n  4n 
T   e  k 2 a  e  k 2 a 
A1  (n  i)(1  in)  (n  i)(1  in ) 
2
16n  2k 2 a
T e
(1  n 2 ) 2
 Transmision coefficient
2m
2 2  2a ( U o  E)
16n  2k 2 a 16n  2
U T e  e
Uo (1  n 2 ) 2
(1  n 2 ) 2

(I) (II) (III)

O a x 2m
2
E
n
k1
  
E
k2 2m Uo  E
2
( U o  E)

 Time-dependent SEQ

 To explore how particle wavefunctions evolve with time,

which is useful for a number of applications as we shall see,
we need to consider the time-dependent SEQ:

This equation describes the full

2
d  ( x, t )
2
d  ( x, t ) time- and space dependence of
  U ( x )  ( x , t )  i
2m dx 2 dt a quantum particle in a potential
U(x), replacing the classical
i2 = -1 particle dynamics law, F=ma

 Important feature: Superposition Principle

 The time-dependent SEQ is linear in  (a constant times  is also a
solution), and so the Superposition Principle applies:
If 1 and 2 are solutions to the time-dependent SEQ, then so is
any linear combination of 1 and 2 (example: 0.6 1 + 0.8i2)