Ordering trends in transition metal alloys from tight-binding electronic structure calculations

被引：5

作者：

Los, J. H. ^{[1
]}

Mottet, C. ^{[1
]}

Treglia, G. ^{[1
]}

Goyhenex, C. ^{[2
]}

机构：

[1] CNRS, Ctr Interdisciplinaire Nanosci Marseille, UPR 3118, F-13288 Marseille 9, France

[2] Inst Phys & Chim Mat Strasbourg, UMR 7504, CNRS UDS, F-67034 Strasbourg 2, France

来源：

PHYSICAL REVIEW B | 2011年 / 84卷 / 18期

关键词：

FCC; SYSTEMS; NI;

D O I：

10.1103/PhysRevB.84.180202

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Accurate prediction of the ordering behavior of transition metal alloys from the electronic structure is a challenging task, opening the way to build materials with unique properties in a controlled way. To this goal, we provide an accurate model based on the fourth-moment approximation of the tight-binding approach, which exhaustively gives ordering trends as a function of d-band filling, within maps where both the d-band positions and widths are used as parameters.

引用

页数：4

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