Вид документа : Статья из журнала Шифр издания : 54/I-98 Автор(ы) : Ivanovskii A. L., Medvedeva N. I., Shveikin G. P. Заглавие : Electronic structure of silicon carbide containing superstoichiometric carbon Место публикации : Russian Chemical Bulletin. - 1999. - Vol. 48, № 3. - С. 612-615: il. Примечания : Bibliogr. : p. 615 (9 ref.) ISSN: 1066-5285 ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): карбид кремния--стехиометрия Аннотация: Electronic structure of superstoichiometric silicon carbide, β-SiCxL0 , was studied by the self-consistent ab initio linearized "muffin-tin" orbital method. It is most likely that the formation of β-SiCx1,0 occurs by replacement of silicon atoms by carbon atoms rather than by insertion of carbon atoms into interstitial lattice sites. The C → Si replacement is accompanied by lattice compression (the equilibrium lattice parameter for a superstoichiometric phase of composition Si0.75CI1.25 is -2% smaller than for SIC). In the presence of superstoichiometric carbon the type of interaction between silicon and carbon atoms changes and additional bonds characteristic of diamond are formed Доп.точки доступа: Medvedeva, N. I.; Медведева Надежда Ивановна; Shveikin, G. P.; Швейкин Геннадий Петрович; Ивановский Александр Леонидович