Electronic states of alloying elements in MoSi2 compound

被引：6

作者：

Harada, Y ^{[1
]}

Morinaga, M ^{[1
]}

Ito, A ^{[1
]}

Sugita, Y ^{[1
]}

机构：

[1] CHUBU ELECT POWER CO INC,MIDORI KU,NAGOYA,AICHI 459,JAPAN

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 1996年 / 236卷 / 1-2期

关键词：

molybdenum disilicide; molecular orbital method; electronic stare; solid solubility; crystal structure;

D O I：

10.1016/0925-8388(95)02173-6

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 alloying effects nn the electronic structure of MoSi2 were investigated using the DV-X(alpha) molecular orbital method. It was found that there were strong covalent Si-Si and Mo-Si bonds in MoSi2. The nature of the chemical bonds between atoms was modified by alloying. Two alloying parameters, the bond order Bo and the d-orbital energy level Md. were determined for various alloying elements in order to estimate the alloying behavior of MoSi2. The solid solubilities of alloying elements in MoSi2 could be described in terms of these two parameters. A new crystal structure map of transition metal disilicides was also made by using the Bo and the Md parameters. This map was proved to be useful in examining any possibilities of the structural modification of disilicides by alloying.

引用

页码：92 / 101

页数：10

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