ELECTRONIC-STRUCTURE OF NIAL BY THE FLAPW-METHOD

被引：5

作者：

FARBEROVICH, OV ^{[1
]}

VLASOV, SV ^{[1
]}

PORTNOI, KI ^{[1
]}

LOZOVOI, AY ^{[1
]}

机构：

[1] VORONEZH STATE UNIV,VORONEZH 394693,USSR

来源：

PHYSICA B | 1992年 / 182卷 / 03期

关键词：

D O I：

10.1016/0921-4526(92)90587-I

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The band structure calculation of the B2-phase of NiAl by the full-potential linearized augmented-plane-wave method is used for the qualitative description of interatomic interaction in the compound. Calculations of partial contributions to the joint density of states provides us with a more consistent interpretation of the imaginary part of the dielectric function epsilon2(omega). The results of FLAPW calculations are compared with those obtained within the standard "muffin-tin" LAPW approach.

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页码：267 / 277

页数：11

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