| Literature DB >> 19349666 |
M Schowalter1, A Rosenauer, J T Titantah, D Lamoen.
Abstract
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.Entities:
Year: 2009 PMID： 19349666 DOI： 10.1107/S0108767309004966
Source DB: PubMed Journal: Acta Crystallogr A ISSN： 0108-7673 Impact factor: 2.290