Electronic structure of Ni3AlXy (X = B, C, H; 0 < y < 1)

被引：5

作者：

Hase, Izumi ^{[1
]}

机构：

[1] AIST, Nanoelect Res Inst, Tsukuba, Ibaraki 3058568, Japan

来源：

MATERIALS TRANSACTIONS | 2006年 / 47卷 / 03期

关键词：

Ni3AlXy; Ni3Al; itinerant magnetism; electronic structure; Korringa-Kohn-Rostokar method; coherent-potential approximation;

D O I：

10.2320/matertrans.47.475

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structures of anti-perovskite-type intermetallic compound Ni3AlXy (X = B, C, H; 0 < y < 1) have been calculated using coherent-potential approximation (CPA) within the local-density approximation (LDA). Ferromagnetic moment in Ni3Al rapidly decreases with increasing y for every dopant X, even though the lattice is more expanded than non-doped Ni3Al.

引用

页码：475 / 477

页数：3

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Electronic structure of Ni3AlXy (X = B, C, H; 0 &lt; y &lt; 1)

Electronic structure of Ni3AlXy (X = B, C, H; 0 < y < 1)