Professional Documents
Culture Documents
• Example: 2D Lattice
T n1a n2 b
n1 2; n2 3
“Realistic” Potential in Solids
• For one dimensional case where atoms (ions)
are separated by distance d, we can write
condition of periodicity as
U ( x) U ( x d n)
“Realistic” Potential in Solids
• Multi-electron atomic potentials are complex
• Even for hydrogen atom with a “simple”
Coulomb potential solutions are quite
complex
• So we use a model one-dimensional periodic
potential to get insight into the problem
Bloch’s Theorem
• Bloch’s Theorem states that for a particle
moving in the periodic potential, the
wavefunctions ψ(x) are of the form
( x) uk ( x)e ikx , where uk ( x) is a periodic function
u k ( x) u k ( x d)
ikx * ikx
P( x) [uk ( x)e ] [uk ( x)e u k (x)
2 ]
* ikx ikx *
P( x) uk ( x)uk ( x)e e uk ( x)uk ( x)
2
P ( x) uk ( x)
• But |uk(x)|2 is periodic, so P(x) is as well
Bloch’s Theorem
P( x) P( x d)
The probability of finding an electron at
any atom in the solid is the same!!!
2 d 1, 2 ( x)
2
2
U ( x)[ 1,2 ( x)] E 1,2 ( x)
2m dx
2 d 2 [ 1 ( x) 2 ( x)]
2
U ( x)[ 1 ( x) 2 ( x)] E[ 1 ( x) 2 ( x)]
2m dx
Band Theory of Solids
• Consider an atom with only one electron in s-state
outside of a closed shell
• Both of the wavefunctions below are valid and the
choice of each is equivalent
Zr / na0
s (r ) Af (r )e
Zr / na0
s (r ) Af (r )e
• If the atoms are far apart, as before, the
wavefunctions are the same as for the isolated
atoms
Band Theory of Solids
• Once the atoms are brought together the
wavefunctions begin to overlap
– There are two possibilities
1. Overlapping wavefunctions are the same (e.g., ψs+ (r))
2. Overlapping wavefunctions are different