Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors

  • Schowalter M
  • Rosenauer A
  • Titantah J
 et al. 
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Abstract

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.

Author-supplied keywords

  • Debye-Waller factors
  • Force constants
  • Phonon densities of states
  • Semiconductors

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