EFFECTIVE PAIR INTERACTIONS IN TRANSITION-METAL CARBIDES

被引：0
|
作者：
KLIMA, J
WEINBERGER, P
HERZIG, P
NECKEL, A
机构：
[1] VIENNA TECH UNIV, INST TECH ELECTROCHEM, A-1040 VIENNA, AUSTRIA
[2] UNIV VIENNA, INST PHYS CHEM, A-1010 VIENNA, AUSTRIA
来源：
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 1992年 / 96卷 / 11期
关键词：
CHEMICAL BOND; CRYSTALS; QUANTUM MECHANICS; SHORT RANGE ORDER; TRANSITION METAL COMPOUNDS; VACANCIES;
D O I：
10.1002/bbpc.19920961110
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Effective pair interactions (EPI) up to 4th nearest neighbour (NN) have been calculated for TiCx and NbCx as a function of vacancy concentration using the KKR-CPA implementation of the generalized perturbation theory (GPT). Results are compared to experimentally determined EPIs and the agreement is discussed.
引用
收藏
页码：1569 / 1572
页数：4
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