PHY 3201 FIZIK KEADAAN PEPEJAL

SEM 1 2008/09
Kronig-Penney Model for
the Periodic Potential
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
Kronig-Penney Model for
the Periodic Potential
According to the free-electron model the potential inside
the solid is uniform. The Kronig-Penney Model goes one
step further by taking into account the variation of
potential due to the present of immobile lattice ions.
-(a+b) -b 0 a a+b
X
V
0

V
Region
2
Region
1
V(x) = 0 for
0<x<a
V(x) = V
0
for
b<x<0
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
In one dimension crystal with inter-atomic separation a,
the time-independent Schrodinger equation is given as
0 )) ( (
2
2 2
2
= +

x V E
m
dx
d

where V(x) is the periodic

potential such that V(x)=V(x+a)
The solution to this equation can be solved using Bloch
Theorem which states that for a periodic potential, the
solutions are of the following form:
ikx
k k
e x u x ) ( ) ( =
where the function u
k
(x) satisfies the condition
) ( ) ( a x u x u
k k
+ =
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
Bloch theorem can also be rewritten in a somewhat
different form, giving us a second version:
ikT
e r T r ) ( ) ( = +
This means that any function (r) that is a solution to
the Schrdinger equation of the problem, differs only
by a phase factor exp(ikr) between equivalent
positions in the lattice.
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
The Schrodinger equations in region 1 and 2 are
0
2
2 2
2
= +

E
m
dx
d

0 ) (
2
0
2 2
2
= +

V E
m
dx
d

0<x<a (region 1)
b<x<0 (region 2)
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
We consider the case E<V
0
, that is the energy of the
electron is less than the height of the potential barrier.
Defining two positive quantities o and | as
2
2
2

mE
= o
2
0
2
) ( 2

E V m
= |
0
2
2
2
= + o

dx
d
0
2
2
2
= |

dx
d
We have
for 0<x<a
for b<x<0
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
On substitution and making use of the expression for the Blochs function
ikx
k k
e x u x ) ( ) ( =
) ( ) ( a x u x u
k k
+ =
0 ) ( 2
2 2
2
2
=
(

+ +
ikx
e u k
dx
du
ik
dx
u d
o
0 ) ( 2
2 2
2
2
=
(

+ +
ikx
e u k
dx
du
ik
dx
u d
|
Since e
-ikx
= 0
0 ) ( 2
2 2
2
2
= + + u k
dx
du
ik
dx
u d
o
0 ) ( 2
2 2
2
2
= + + u k
dx
du
ik
dx
u d
|
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
The solutions of the above equations are
a x 0 ,
) ( ) (
1
< < + =
+ x k i x k i
Be Ae u
o o
a x b - ,
) ( ) (
2
< < + =
+ x ik x ik i
De Ce u
| |
A,B,C and D are constant and must be chosen so that the following
conditions are satisfied:
Continous conditions Periodicity conditions
) 0 ( ) 0 (
2 1
u u = ) ( ) (
2 1
b u a u =
0
2
0
1
= =
(

=
(

x x
dx
du
dx
du
b a
dx
du
dx
du

=
(

2 1
V(x)
-(a+b) -b 0 a a+b x
V
0
Square-well periodic potential
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
D C B A + = +
D ik C ik B k i A k i ) ( ) ( ) ( ) ( + = + | | o o
b ik b ik a k i a k i
De Ce Be Ae
) ( ) ( ) ( ) ( + +
+ = +
| | o o
b ik b ik a k i a k i
De ik Ce ik Be k i Ae k i
) ( ) ( ) ( ) (
) ( ) ( ) ( ) (
+ + +
+ + = +
| | o o
| | o o
Application of the continuity and periodicity conditions will lead to the following
four linear homogenous equations:
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
Solving for a vanishing determinant, the
following equation is obtained:
) ( cos cos cosh sin sinh
2
) (
2 2
b a k a b a b + = +

o | o |
o|
o |
The expression above is usually simplified by taking the
limit of 0 barrier width (b0) and an infinite barrier
height (V
0
),
) ( cos cos cosh sin
sinh
2
) (
2 2
b a k a b a
b
b
a
ab
+ = +

o | o
|
|
o
o |
1
1
|>>o , |b<<1
|
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
2
2
ba
P
|
=
ka a a
a
ab
cos cos sin
2
2
= + o o
o
|
ka a a
a
P
cos cos sin = + o o
o
This equation relates o and k, and since o is directly proportional to E, it
gives the dispersion relation.
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
For a fixed P, the left hand side of the equation above is
plotted as a function of oa as shown in the figure in the
next slide. Since the right hand side of the equation is a
cosine function, it has an upper limit equal to 1 and a
lower limit equal to -1. Since Eqn. [1] has to be satisfied,
those portion of the curve which lie beyond the limits of +1
and -1 are not valid and are represented as the shaded
region in the figure. This implies that only those oa values
for which the curve lies within the limit +1 and -1 are
allowed. This leads to the very important conclusions that
there are bands of allowed energy values separated by
forbidden ranges
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
cos + sin a a
a
P
o o
o
a o
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
The following conclusions may be drawn regarding the
energy of the electrons in a periodic potential:
There exists a number of energy bands separated by
forbidden energy ranges called energy gaps.
The width of the allowed energy bands increases with
the increasing values of oa; i.e. with increasing energy
values
The width of a particular band decreases with
increasing value of P, i.e. with increasing binding energy
of the electrons.
PHY 3201 FIZIK KEADAAN PEPEJAL
SEM 1 2008/09
Using Eqn. [1] it is possible to obtain the values of
energy E as a function of k. The resulting plot of E versus
k is shown in the figure above. The curve has
discontinuities at k=n/a