Electronic structure of silicon carbide containing superstoichiometric carbon / Ivanovskii AL,Medvedeva NI,Shveikin GP // RUSSIAN CHEMICAL BULLETIN. - 1999. - V. 48, l. 3. - P. 612-615.

ISSN/EISSN:

1066-5285 / нет данных

Type:

Article

Abstract:

Electronic structure of superstoichiometric silicon carbide, beta-SICx>1.0, was studied by the self-consistent ab initio linearized ``muffin-tin{''} orbital method. It is most likely that the formation of beta-SiCx>1.0 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 Si0.75C1.25 is similar to 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.

Author keywords:

silicon carbide; superstoichiometric carbon; electronic structure; chemical bond

DOI:

10.1007/BF02496192

Web of Science ID:

ISI:000081253300040

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	MAR
Publisher	PLENUM PUBL CORP
Address	CONSULTANTS BUREAU, 233 SPRING ST, NEW YORK, NY 10013 USA
Language	English
Research-Areas	Chemistry
Web-of-Science-Categories	Chemistry, Multidisciplinary
Number-of-Cited-References	9
Journal-ISO	Russ. Chem. Bull.
Doc-Delivery-Number	213BZ