Calculation of Debye-Waller Temperature Factors for GaAs

Schowalter, M; Rosenauer, A; Titantah, J T; Lamoen, D

doi:10.1007/978-1-4020-8615-1_42

M Schowalter³,
A Rosenauer³,
J T Titantah⁴ &
…
D Lamoen⁴

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 120))

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Summary

In this work we calculated the Debye-Waller factors (DWFs) of GaAs in the temperature range from 0.001 K up to 1000 K. The resulting temperature dependence is fitted using an approach outlined in the paper. For the calculation of the DWFs the phonon frequencies in GaAs were deduced from Hellmann-Feynman forces computed from supercells within the density functional theory approach. The calculated frequencies are compared with experimentally measured frequencies.

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Authors and Affiliations

Institut für Festkörperphysik, Universität Bremen, Otto-Hahn Allee 1, Bremen, 28359, Germany
M Schowalter & A Rosenauer
Theoretical study of matter, Department of Physics, Universiteit Antwerpen, Groenenborgerlaan 171, Antwerpen, 2020, Belgium
J T Titantah & D Lamoen

Authors

M Schowalter
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A Rosenauer
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J T Titantah
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D Lamoen
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Editor information

Editors and Affiliations

Department of Electronic and Electrical Engineering, University of Sheffield, Mappin Street, Sheffield, S1 3JD, UK
A. G. Cullis
Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge, CB2 3QZ, UK
P. A. Midgley

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Schowalter, M., Rosenauer, A., Titantah, J.T., Lamoen, D. (2008). Calculation of Debye-Waller Temperature Factors for GaAs. In: Cullis, A.G., Midgley, P.A. (eds) Microscopy of Semiconducting Materials 2007. Springer Proceedings in Physics, vol 120. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-8615-1_42

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DOI: https://doi.org/10.1007/978-1-4020-8615-1_42
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-8614-4
Online ISBN: 978-1-4020-8615-1
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