First-principles study on the magnetic properties of ordered Nd6(Fe,Ga)14 alloys

被引：11
|
作者：
Hyodo, Kazushige [1 ]
Toga, Yuta [2 ]
Sakuma, Akimasa [1 ]
机构：
[1] Tohoku Univ, Dept Appl Phys, Aoba Ku, Aoba 6-6-05, Sendai, Miyagi, Japan
[2] Natl Inst Mat Sci, ESICMM, Sengen 1-2-1, Tsukuba, Ibaraki, Japan
来源：
JOURNAL OF APPLIED PHYSICS | 2017年 / 122卷 / 24期
关键词：
METAMAGNETIC TRANSITION; CRYSTAL-STRUCTURE; ND; HYDROGEN; PHASE;
D O I：
10.1063/1.5007723
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We studied the stable magnetic structure of ordered Nd6Fe14-xGax (x = 0, 1) alloys, which appears in the grain-boundary phase of Nd-Fe-B permanent magnets, using first-principles techniques. Slight Ga doping (x = 1) was shown to contribute to the stabilization of an anti-ferromagnetic (AF) state, whereas the non-doped case (x = 0) was revealed to favor the ferromagnetic state rather than the AF state with a slight energy difference. Published by AIP Publishing.
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页数：5
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