One dimensional barrier problems

Masatsugu Sei Suzuki

Department of Physics, SUNY at Binghamton
(Date: January 13, 2012)

1. Overview on the boundary conditions for wave functions

(a) Behavior of a stationary wave function  (x)

d2 2m
2
 ( x)  2 ( E  V ) ( x)  0
dx 

where V ( x)  V in certain regions of space.

(i) E V

2 2
E V  k (k>0)
2m

d2
2
 ( x)  k 2 ( x)  0
dx

 ( x)  Aeikx  A' e ikx

where A and A’ are complex constants.

(ii) E<V

2 2
 E V   (  0)
2m

d2
 ( x)   2 ( x)  0
dx 2

 ( x)  Bex  B' e x

where B and B’ are complex constants.

(iii) E=V

 ( x) is a linear function of x.

1
(b) Behavior of  ( x) at a potential energy discontinuity

When the potential V(x) is discontinuous at x = x1,

d ( x)
(i)  ( x) and are continuous at x = x1.
dx
d 2 ( x)
(ii) is discontinuous at x = x1, if V(x) remains bounded.
dx 2

((Note)) V ( x)  a ( x) ; unbounded function whose integral remains finite. In the case

d ( x)
 ( x) remains continuous but does not.
dx

Vx
2. 1D step barrier potential

V0

I II
x
O
(a) Case when E  V0 (partial reflection)
The wave numbers:

2 2mE
k1  for the region I
2

2 2m( E  V0 )
k2  for the region II
2

The wave functions:

2
  I ( x)  A1eik x  A1 ' e  ik x
1 1
for the region I

 II ( x)  A2eik x  A2 ' e ik

2 2x
for the region II

Suppose that A2 '  0 (the wave propagates along the positive x axis in the region II).
From the condition that  I ( x  0)   II ( x  0) ,

A1  A1 '  A2 .

d I d
From the matching condition that ( x  0)  II ( x  0) ,
dx dx

k1 ( A1  A1 ' )  k2 A2

Then we have

A1 ' k1  k2 A2 2k1
 , 
A1 k1  k2 A1 k1  k2

R: reflection coefficient
T: transmission coefficient

k1 2
A' A1 '
2
 k1  k2 
2
JI ' m 1 4k1k2
R       1  .
JI k1 2
A1 A1
2
 k1  k 2  k  k 21
2

k 2 2
2
A2
J II m k 2 A2 4k1k 2
T    .
JI k1 2 k1 A
A1 1
2
k  k 21
2

Thus we have the relation

R T 1

((Note))
Contrary to the prediction of classical mechanics, the incident particle has a non-zero
probability of turning back.

((Mathematica))

3
 R,T
1.0

T
0.8

0.6

0.4

0.2
R

E0
1.5 2.0 2.5 3.0

Fig. Plot of R and T as a function of E0. m = 1.   1 . V0 = 1. E0>1.

Vx
(b) Case when E  V0 : R = 1. T = 0 (complete reflection)

V0

I II
x
O
The wave numbers:

2 2mE
k1  for the region I
2

2m(V0  E )
22  for the region II
2

The wave functions:

4
  I ( x)  A1eik x  A1 ' e  ik x
1 1
for the region I

 II ( x)  B2e  x  B2 ' e  
2 2x
for the region II

Suppose that B2  0 (the wave propagates along the positive x axis in the region II).
From the condition that  I ( x  0)   II ( x  0) ,

A1  A1 '  B2 '

d I d
From the matching condition that ( x  0)  II ( x  0) ,
dx dx

ik1 ( A1  A1 ' )    2 B2 '

Then we get

A1 ' k1  i 2 B2 ' 2k1

 , 
A1 k1  i 2 A1 k1  i 2

The reflection coefficient R is obtained as

k1 2
A1 ' 2 2
JI ' m A1 ' k1  i 2
R    1
JI k1 2
A1 A1
2
k1  i  2
m

Since T + R = 1, T=0. Since the wave function  II (x) is a real wave function, we always
have J II  0 .

We consider the phase shift in the wave functions from the conditions,

A1  A1 '  B2 '

i 2
A1  A1 '  B2 '
k1

2
When  tan  ,
k1

1 i 1 B2 ' i I i
A1  (1  2 ) B2 '  (1  i tan  ) B2 '  e  e
2 k1 2 2 cos  2

5
and

1 i 1 B2 '  i I  i
A1 '  (1  2 ) B2 '  (1  i tan  ) B2 '  e  e
2 k1 2 2 cos  2

where

B2 ' I
 , or B2 '  I cos 
2 cos  2

Then we get

I
 I ( x)  (ei eik x  e  i e  ik x )  I cos(k1 x   )
1 1

 II ( x)  I cos e   2x

where

2 V0  E
 tan  
k1 E

_______________________________________________________________________
((Note)) In the case of V0  

Then we have  2   ,

or

2 
 tan    , or   .
k1 2


 I ( x)  I cos(k1 x  )   I sin(k1 x)
2

and

 II ( x)  0

At x = 0,

 I ( x  0)  0

6
  II ( x  0)  0 .

So it remains continuous. How about the matching condition?

d I ( x)
  Ik1 cos(k1 x) , which is  Ik1 at x = 0.
dx

d II ( x)
0
dx

Therefore the derivative is no longer continuous. This is due to the fact that the potential
jump is infinite at x = 0.

((Mathematica))

7
 y x y x

E eV=1 E eV=1
1.0 1.0

0.5 V eV=1.05 0.5 V eV=1.45

xnm xnm
-3 -2 -1 1 2 3 -3 -2 -1 1 2 3
- 0.5 - 0.5

- 1.0 - 1.0

y x y x

E eV=1 E eV=1
1.0 1.0

0.5 V eV=1.85 0.5 V eV=2.25

xnm xnm
-3 -2 -1 1 2 3 -3 -2 -1 1 2 3
- 0.5 - 0.5

- 1.0 - 1.0

y x y x

E eV=1 E eV=1
1.0 1.0

0.5 V eV=2.65 0.5 V eV=3.05

xnm xnm
-3 -2 -1 1 2 3 -3 -2 -1 1 2 3
- 0.5 - 0.5

- 1.0 - 1.0

y x y x

E eV=1 E eV=1
1.0 1.0

0.5 V eV=3.45 0.5 V eV=3.85

xnm xnm
-3 -2 -1 1 2 3 -3 -2 -1 1 2 3
- 0.5 - 0.5

- 1.0 - 1.0

_______________________________________________________________________

8
 Vx
3. One dimensional square barrier

E
V0

I II III
x
0 l
(a) Fabry-Perot for E  V0

The wave numbers:

2 2mE
k1  for the region I and III
2

2 2m(V0  E )
k2  for the region II
2

The wave functions:

 I ( x)  A1eik x  A1 ' e  ik x
1 1
for the region I

 II ( x)  A2eik x  A2 ' e ik

2 2x
for the region II

 III ( x)  A3eik x  A3 ' e  ik x

1 1
for the region III

Let us choose A3 '  0 (neglecting particles coming from x   ).

The matching condition at x = 0 and x = l.

(i)
 I ( x  0)   II ( x  0)

9
leading to

A1  A1 '  A2  A2 ' (1)

(ii)
 II ( x  l )   III ( x  l )

leading to

A2eik 2 l  A2 ' e ik 2 l  A3eik1l (2)

(iii)

d I ( x  0) d II ( x  0)

dx dx

leading to

A1ik1  A1 ' ik1  A2ik 2  A2 ' ik2 (3)

(iv)

d II ( x  l ) d III ( x  l )

dx dx

leading to

A2ik 2eik 2 l  A2 ' ik2e ik 2 l  A3ik1eik1l . (4)

From Eqs.(1)-(4), we have

 k 2  k2 2 
A1  A3eik1l [cos(k2l )  i 1  sin(k 2l )]

 2 k1 k 2 

 k 2  k12 
A1 '  iA3eik1l  2  sin(k 2l )

 2 k1 k 2 

A3 i ( k1k2 ) l
A2  e (k1  k2 )
2k 2

10
 A3 i ( k1k2 ) l
A2 '  e ( k1  k 2 )
2k 2

Probability current density:

JI 
k1
m
2

A1  A1 '
2

J II 
k 2
m
2

A2  A2 '
2

k1 2
J III  A3
m

Reflection co-efficient;

2 2 2
A1 ' (k1  k2 ) 2 sin 2 (k2l )
R  2 2 2 2
A1 4k1 k2  (k1  k2 ) 2 sin 2 (k2l )

Transmission co-efficient:

2 2 2
A 4k1 k2
T 3  2 2 2 2
A1 4k1 k2  (k1  k2 ) 2 sin 2 (k2l )
4 E ( E  V0 )
 2
4 E ( E  V0 )  V0 sin 2 (k2l )

2m(V0  E )
for E>V0. k2l  l
2

When k 2l  n (n: integer), T = 1.(Fabrey-Perot)

((Mathematica)) Fabry-Perot

11
 T
1.00
5
0.98 4

0.96 3

0.94

E V 0 = 2
0.92

0.90
X =k 2l
p 2p 3p

Fig. Plot of T as a function of x  k2l . The parameter E/V0 is changed as 2, 2.5. 3, 3.5,
4, 4.5 and 5.

((Note))

We consider the case of k 2 2l  2n , or k 2l  n (resonance condition).

T = 1, R = 0

A1 '  0

12
 A1  cos(n )eik1l A3  (1) n eik1l A3

A3 1 k
A2  ( k1  k 2 ) e ik 1l (  1) n  (1  1 ) A1
2k2 2 k2

A3 1 k
A2 '  (k1  k2 )eik1l (1) n  (1  1 ) A1
2k 2 2 k2

Then we have

 I ( x)  A1eik x
1

1 k1 1 k
 II ( x)  A2eik x  A2 ' e  ik x  (1 
2 2
) A1eik 2 x  (1  1 ) A1e  ik 2 x
2 k2 2 k2
k1
 A1[cos(k2 x)  2i sin( k2 x)]
k2

(resonance scattering)

 III ( x)  A3eik x  (1) n e  ik l A1eik x

1 1 1

Vx
(b) Tunneling effect for E  V0

V0

I II III
x
0 l

13
Fig. A beam of particles represented by a plane wave is incident on a potential barrier.
Most particles are reflected, but some are transmitted by quantum mechanical
tunneling.

We set

k2  i 2 or  2  ik2

where

2m
22  (V0  E ) for the region II
2

The wave functions:

 I ( x)  A1eik x  A1 ' e  ik x
1 1
for the region I

 II ( x)  A2e  x  A2 ' e  
2 2x
for the region II

 III ( x)  A3eik x 1
for the region III

where

2 2m
k1  E for the regions I and III
2

Boundary conditions: continuity of the wave function and its derivative with respect to x
at x = 0 and x = l.

A1  A1 '  A2  A2 '

A2e  2 l  A2 ' e   2 l  A3eik1l

ik1 ( A1  A1 ' )   2 ( A2  A2 ' )

 2 ( A2e  l  A2 ' e   l )  A3ik1eik l

2 2 1

When A3 is a fixed parameter, we get A1, A1', A2, and A2' as

A3 ( ik1   2 )l
[i (e 2  2l  1)k1  2(e 2  2l  1)k1  2  i (e 2  2l  1)  2 ]
2 2
A1  e
4k1  2

14
 A3 ( ik1   2 )l 2  2l
A1 '   e (e  1)(k1  i 2 )(ik1   2 )
4k1  2

A3 (ik1   2 ) l
A2  e (ik1   2 )
22

A3 ( ik1   2 ) l
A2 '  e (ik1   2 )
22

Noting that

cos(i )  cosh  and sin( i )  i sinh  ,

cosh(2x) = 1+2 sinh2(x), cosh 2 ( x)  sinh 2 ( x)  1 .

we have

i  k  2 
2 2

A1   A3 e ik1l [cosh(  2 l )   1  sinh(  2 l )]

2  k1  2 

 k 2  22 
A1 '  iA3 e ik1l  1  sinh(  2 l )

 2k1  2 

The wave functions in the regions I, II, and II are obtained as

A3 ik1l
I  e [k1 2eik1 x cosh(  2l )  (ik1 cos(k1 x)   2 sin( k1 x)) sinh(  2l )]
2 2

k1 2

A3
 II  eik1l [  2 cosh(  2 (l  x))  ik1 sinh(  2 (l  x))]
2

 II  A3eik x 1

where A3 is fixed parameter. A typical example is shown below.

15
 10

-5 5

-5

- 10

Fig. Real part of the wave functions in the tunneling through a barrier (denoted by blue
lines).

((Probability current density))

JI 
k1
m
2
A1  A1 '
2

 i
J II   2  A2 A2 '*  A2 * A2 '
m

k1 2
J III  A3
m

where

J I  J II  J III

____________________________________________________________________
The transmission coefficient is given by

16
 2
4k1  2
2 2
A
T 3 
4k1  2 cosh 2 (  2 l )  (k1   2 ) 2 sinh 2 (  2 l )
2 2 2 2
A1
4k1  2
2 2


4k1  2 [1  sinh 2 (  2 l )]  (k1   2 ) 2 sinh 2 (  2 l )
2 2 2 2

4k1  2
2 2


4k1  2  (k1   2 ) 2 sinh 2 (  2 l )
2 2 2 2

4 E (V0  E )

4 E (V0  E )  V0 sinh 2 (  2 l )
2

2m
where E<V0 and  2l  l (V0  E ) . The reflection coefficient is given by
2

2 2 2
A' A' A3
R 1  1
A1 A3 A1
(k1   2 ) 2 sinh 2 (  2 l )
2 2


4k1  2 cosh 2 (  2 l )  (k1   2 ) 2 sinh 2 (  2 l )
2 2 2 2

(k1   2 ) 2 sinh 2 (  2 l )
2 2


4k1  2  (k1   2 ) 2 sinh 2 (  2 l )
2 2 2 2

Then we get

T  R 1

We make a plot of T as a function of x   2 l , where E / V0  0.9

T
1.0

0.8

0.6 EV0 =0.9

0.4

0.2

0.0 X = r2l
0 1 2 3 4 5

Fig. Plot of T as a function of X   2l . E/V0 = 0.9.

17
((Note))

When  2l  1 ,

e  2l  e  2l e  2l
sinh(  2l )  
2 2

Then we have

16 E (V0  E )  2  2 l
T 2
e
V0

The particle has a non-zero probability of crossing the potential barrier.

((Parameter  2 for electron))

2m
2  (V0  E )
2

or

1 1.95192
 Å
2 (V0  E )[eV ]

When V0 = 2 eV, l = 1 Å, and E = 1 eV, we have 1/2 = 1.96 Å.

or

T = 0.78

The electron must then have a considerable probability of crossing the barrier.

((Parameter  2 for proton))

1 2M
 (V0  E )
2 2

or

1 4.5552  102
 Å.
2 (V0  E )[eV ]

18
When V0 = 2 eV, l = 1 Å, and E = 1 eV, we have 1/2 = 4.5552x10-2 Å.

or

T = 3.94 x 10-19,

which is negligibly small.

Vx
4. One dimensional square-well potential: Ramsuer effect

I 0 II l III
x

-V0

The wave numbers:

2 2m
k2  ( E  V0 )
2

2 2m
k1  E
2

 k 2  k2 2 
A1  A3eik1l [cos(k2l )  i 1  sin( k 2l )]

 2k1k2 

 k 2  k12 
A1 '  iA3eik1l  2  sin(k 2l )

 2k1k2 

Reflection co-efficient

19
 2 2 2
A' (k1  k2 ) 2 sin 2 (k2l )
R 1  2 2 2 2
A1 4k1 k2  (k1  k2 ) 2 sin 2 (k2l )

Transmission co-efficient

2 2 2
A 4k1 k2
T 3  2 2 2 2
A1 4k1 k2  (k1  k2 ) 2 sin 2 (k2l )

5. Semi infinite well potential

Vx
0 =¶

V0

I II
x
0 a
For 0<x<a (region I)

2 d 2  2k 2
H I ( x)    ( x )  E ( x )   I ( x)
2m dx 2
I I
2m

The solution of this equation is

 I ( x)  A sin( kx)  A1 cos( kx)

where

2m
k E
2

20
Using the boundary condition:

 I ( x  0)  0

we have

A1 = 0 and A≠0.

Then we get

 I ( x)  A sin( kx)

For x>a (region-II)

2 d 2
(  V0 ) II ( x)  E II ( x)
2m dx 2

or

d2
2
 II ( x)   2 II ( x)  0
dx

where

2m
 (V0  E ) .
2

The solution of  II (x) is given by

 II ( x)  Be ( x  a )

d ( x )
The condition for the continuity of  (x) and at x = a
dx

A sin( ka)  B

kA cos(ka)   B

From these two equations we have

21
 1 1
tan( ka)   or ka  a tan(ka )
ka a

with

a 2  ka 2  2m2 a 2V0



For simplicity, we assume that

2m 2
x  ka , y  a , R a V0
2

Then we need to solve the equations by using graphs,

x   y tan(x) , x2  y2  R2

where x>0 and y>0.

y
10

0 x
0 2 4 6 8 10

Fig. The intersections of the curve y = -x/tanx and the circle (x2+y2 = R2). The
radius R is changed as a parameter. Note that y = -x/tanx changes the sign
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from negative to positive at x = /2, 5/2, 7/2 ,... When /2<R<3/2,
there are two intersections, leading to the two energy levels. When
5/2<R<7/2, there are three intersections, leading to the three energy
levels.

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