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. (C) 2009 International Union of Crystallography Printed in Singapore - all rights reserved