First-principles study of the interplay between magnetism and phase equilibria in Fe-Co alloys

被引：4
作者：
Díaz-Ortiz, A
Drautz, R
Fähnle, M
Dosch, H
机构：
[1] Inst Potosino Invest Cientifica & Tecnol, Adv Mat Dept, San Luis Potosi 78231, SLP, Mexico
[2] Max Planck Inst Met Res, D-70569 Stuttgart, Germany
来源：
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2004年 / 272卷
关键词：
iron alloys; first-principles calculations; magnetism;
D O I：
10.1016/j.jmmm.2003.12.1138
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The effect of magnetism on the ground state structures has been investigated by means of first-principles, density-functional calculations. In addition to the experimentally observed CsCl-type ground-state structure for FeCo stoichiometric alloys, our spin-polarized calculations predict several new ordered structures for iron-rich alloys. In particular, our results show that Fe3Co alloys are energetically stable for a number of ordered structures. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码：780 / 782
页数：3
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