E 27 Effect of heat treatment on the electronic spectrum and mechanical properties of BeO ceramics [Text] / M. A. Gorbunova, V. S. Kiiko, A. A. Sofronov, Yu. N. Makurin, A. L. Ivanovskii // Inorganic Materials. - 2006. - Vol. 42, № 10. - P1168-1170. - Библиогр. : с. 1170 (17 назв.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ТЕРМООБРАБОТКА -- ОКСИД БЕРИЛЛИЯ -- КЕРАМИКА Аннотация: The full-potential linear mufin-tin orbital method with a generalized gradient approximation, in conjunction with experimental structural data obtained for BeO ceramics during heatingncooling cycles, was used to analyze the effect of heat treatment on the electronic structure of BeO and to evaluate the thermal expansion coefficients and bulk modulus of BeO ceramics. According to the calculation results, BeO remains a widegap semiconductor in the range 80n300 K, and its band gap varies by no more than ~0.02 eV. The bulk modulus of BeO ceramics (~170 GPa) is 18n25% lower than that of single-crystal BeO. Полный текст |