ELECTRONIC-STRUCTURE OF THE NEW RARE-EARTH BOROCARBIDE SC2BC2

被引：43

作者：

HALET, JF ^{[1
]}

SAILLARD, JY ^{[1
]}

BAUER, J ^{[1
]}

机构：

[1] INST NATL SCI APPL,MET & PHYSICOCHIM MAT LAB,URA 254,F-35043 RENNES,FRANCE

来源：

JOURNAL OF THE LESS-COMMON METALS | 1990年 / 158卷 / 02期

关键词：

D O I：

10.1016/0022-5088(90)90059-S

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：

The electronic structure and bonding in the new ternary borocarbide Sc2BC2 are analysed using extended Hückel calculations. A rather strong covalency is observed between the carbon atoms of the isolated BC2 entities and the scandium atoms. The metallic behaviour of Sc2BC2 occurs mainly through scandium states which form the bottom of the conduction band. Resistivity is expected to be greater along the c axis. The effect of the addition of electrons to the system is also analysed. © 1990.

引用

页码：239 / 250

页数：12

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