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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