Chapter 12

Solid state physics

12.1 Crystal structure
A lattice is dened by the 3 translation vectors ai , so that the atomic composition looks the same from each point r and r = r + T , where T is a translation vector given by: T = u1 a1 + u2 a2 + u3 a3 with ui I N. A lattice can be constructed from primitive cells. As a primitive cell one can take a parallellepiped, with volume Vcell = |a1 (a2 a3 )| Because a lattice has a periodical structure the physical properties which are connected with the lattice have the same periodicity (neglecting boundary effects): ne (r + T ) = ne (r ) This periodicity is suitable to use Fourier analysis: n(r ) is expanded as: n(r ) =
G

nG exp(iG r )

with nG =

1 Vcell

n(r ) exp(iG r )dV

cell

G is the reciprocal lattice vector. If G is written as G = v1 b1 + v2 b2 + v3 b3 with vi I N , it follows for the vectors bi , cyclically: ai+1 ai+2 bi = 2 ai (ai+1 ai+2 ) The set of G-vectors determines the R ontgen diffractions: a maximum in the reected radiation occurs if: k = G with k = k k . So: 2k G = G2 . From this follows for parallel lattice planes (Bragg reection) that for the maxima holds: 2d sin() = n. The Brillouin zone is dened as a Wigner-Seitz cell in the reciprocal lattice.

12.2 Crystal binding

A distinction can be made between 4 binding types: 1. Van der Waals bond 2. Ion bond 3. Covalent or homopolar bond 4. Metalic bond. For the ion binding of NaCl the energy per molecule is calculated by: E = cohesive energy(NaCl) ionization energy(Na) + electron afnity(Cl) The interaction in a covalent bond depends on the relative spin orientations of the electrons constituing the bond. The potential energy for two parallel spins is higher than the potential energy for two antiparallel spins. Furthermore the potential energy for two parallel spins has sometimes no minimum. In that case binding is not possible.