CHEMICAL BONDING AND LATTICE-RELAXATION IN SUBSTOICHIOMETRIC TITANIUM CARBIDE AND NITRIDE

被引：13

作者：

CAPKOVA, P

SKALA, L

机构：

[1] Fuculty of Mathematics and Physics, Charles University

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 1992年 / 171卷 / 01期

关键词：

D O I：

10.1002/pssb.2221710110

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The rearrangement of interatomic interactions and redistribution of electron densities in titanium carbide and nitride resulting from the existence of the nonmetal vacancy are studied by the CNDO/2 method. The local lattice relaxation is taken into account and the differences and common features in the behaviour of the nonmetal vacancy in titanium carbide and nitride are discussed.

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页码：85 / 94

页数：10

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