THE INVESTIGATION OF ELECTRONIC AND THERMODYNAMIC PROPERTIES OF DISORDERED NIAL ALLOYS

被引：8

作者：

ABRIKOSOV, IA

VEKILOV, YH

RUBAN, AV

KATS, DY

机构：

[1] Department of Theoretical Physics, Moscow Institute of Steel and Alloys, Moscow, 117936

来源：

SOLID STATE COMMUNICATIONS | 1991年 / 80卷 / 03期

关键词：

D O I：

10.1016/0038-1098(91)90177-W

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The LMTO-CPA method in terms of density functional theory is used for calculations of electronic structure and thermodynamic properties of disordered Ni-Al alloys. The evaluation of the mixing potential, which is used for the estimation of short-range order effects contribution to the enthalpy of formation, is fulfilled. It is shown that due to this contribution the agreement between calculated results and experimental data becomes essentially better.

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页码：177 / 181

页数：5

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