ELECTRONIC-STRUCTURE AND HYBRIDIZATION EFFECTS IN THE COMPOUNDS AL2RU AND GA2RU

被引：64

作者：

MANH, DN ^{[1
]}

DELAISSARDIERE, GT ^{[1
]}

JULIEN, JP ^{[1
]}

MAYOU, D ^{[1
]}

CYROTLACKMANN, F ^{[1
]}

机构：

[1] POLYTECH UNIV HANOI,DEPT PHYS,HANOI,VIETNAM

来源：

SOLID STATE COMMUNICATIONS | 1992年 / 82卷 / 05期

关键词：

D O I：

10.1016/0038-1098(92)90362-D

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic structure of the compounds Al2Ru and Ga2Ru has been calculated self-consistently by using LMTO-ASA (Linear Muffin Tin Orbitals in the Atomic Sphere Approximation) method. The calculation strongly indicates that a quasi-semiconductor gap at the Fermi level occurs inside the d states of Ru for both compounds. The models existing in the literature are discussed and compared to our results and the origin of this quasi-semiconducting behaviour is found to be essentially due to effects of sp (Al,Ga) - d (Ru) hybridization.

引用

页码：329 / 334

页数：6

共 21 条

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