Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure.
We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given.
Institut für Festkörperphysik, Universität Bremen, D 28359 Bremen, Germany. schowalter@ifp.uni-bremen.de
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Schowalter
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Rosenauer
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Titantah
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Lamoen