E 43 Elastic parameters of single-crystal and polycrystalline wurtzite-like oxides BeO and ZnO: Ab initio calculations [Text] / I. R. Shein, V. S. Kiiko, Yu. N. Makurin, M. A. Gorbunova, A. L. Ivanovskii // Physics of the Solid State. - 2007. - Vol. 49, № 6. - P1067-1073. - Bibliogr. : p. 1072 (46 назв.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ВЮРТЦИТЫ -- ОКСИД БЕРИЛЛИЯ -- ОКСИД ЦИНКА Аннотация: The structural and elastic parameters (elastic constants; bulk, shear, and Youngis moduli; Poissonisratios; and Lame coefficients) for ideal wurtzite-like beryllium and zinc monoxides are calculated by the fulpotential linearized augmented-plane-wave (FLAPW) method with the WIEN2k code. These parameters areapproximated to those for polycrystalline oxides BeO and ZnO in the framework of the Voigtn-Reussn-Hill??model. The results of calculations are compared with the available experimental data and used to estimate numerically the velocities of sound and the Debye temperatures for BeO and ZnO polycrystals Полный текст |