Effect of biaxial strain on the magnetism of Fe16N2: Density-functional investigations

被引：13

作者：

Zhou, Wei ^{[1
]}

Liu, Lijuan ^{[2
]}

Wu, Ping ^{[1
]}

机构：

[1] Tianjin Univ, Fac Sci, Tianjin Key Lab Low Dimens Mat Phys & Preparing T, Dept Appl Phys, Tianjin 300072, Peoples R China

[2] Tianjin Inst Urban Construct, Dept Fundamental Subject, Tianjin 300384, Peoples R China

来源：

PHYSICS LETTERS A | 2014年 / 378卷 / 11-12期

基金：

中国国家自然科学基金;

关键词：

Biaxial strain; Magnetic property; First-principles calculation; ELECTRONIC-STRUCTURE; MOMENT; 1ST-PRINCIPLES; IRON; MAGNETIZATION; ANISOTROPY; NITRIDE;

D O I：

10.1016/j.physleta.2014.01.021

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The effect of biaxial strain on the magnetism of alpha ''-Fe16N2 was investigated by the first principles calculations. The GGA, GGA + U and HSE06 calculations give the same result that the magnetic moments increase with the biaxial strain in the ab plane. All non-equivalent Fe atoms contribute to the increase of magnetic moments, although the variations of inter-atomic distances between non-equivalent Fe and N are different. Additionally, the magnetic anisotropy of Fe16N2 could be controlled by the biaxial strain. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：909 / 914

页数：6

共 29 条

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