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.
引用
收藏
页码：85 / 94
页数：10
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