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Acta Cryst. (2009). A65, 227-231
https://doi.org/10.1107/S0108767309004966

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Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure

M. Schowalter, A. Rosenauer, J. T. Titantah and D. Lamoen

The Debye-Waller factors of wurtzite-type semiconductors are calculated from ab initio force constants and fitted in the temperature range from 0.1 to 1000 K.

Keywords: Debye-Waller factors; semiconductors; density functional theory; wurtzite-type structures.

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