530 APPENDIX C. DENSITY OF STATES
Periodic boundary conditions are shown in figure C.2b. Even though we focus our attention on a
finite volumeV, the wave can be considered to spread in all space as we regard the entire space
as made up of identical cubes of sidesL.Then
ψ(x, y, z+L)=ψ(x, y, z)
ψ(x, y+L, z)=ψ(x, y, z)
ψ(x+L, y, z)=ψ(x, y, z)
ψ(x–L)
y
x
ENERGY
LEVELS
W
AVEFUNCTIONS
0 L
λ= 32 L
λ= L
λ=^2 L
(a) (b)
L
L
ψ(x) ψ(x+L)
Figure C.1: Two types of boundary conditions. A schematic showing (a) the stationary boundary
conditions; (b) the periodic boundary conditions.
In this case the allowed values ofkare (nare integers—positive and negative)
kx=
2 πnx
L
; ky=
2 πny
L
; kz=
2 πnz
L
IfLis large, the spacing between the allowedk-values is very small. Also it is important to
note that the results one obtains for properties of the particles in alargevolumeareindependent
ofwhetherweusethestationaryorperiodicboundaryconditions. It is useful to discuss the
volumeink-spacethateachelectronicstateoccupies. As can be seen from figure C.2, this
volume is (in three dimensions) (
2 π
L
) 3
=
8 π^3
V