Title
Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Copenhagen ,
Subject
Physics
Source (journal)
Acta crystallographica: section A: foundations of crystallography. - Copenhagen
Volume/pages
65(2009) :1 , p. 5-17
ISSN
0108-7673
ISI
000261799500002
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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.
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