Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors.
We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes.
Schowalter
M
M
Institut für Festkörperphysik, Universität Bremen, D 28359 Bremen, Germany. schowalter@ifp.uni-bremen.de
Rosenauer
A
A
Titantah
J T
JT
Lamoen
D
D