Role of typical elements in Nd2Fe14X (X = B, C, N, O, F)

被引：29

作者：

Tatetsu, Yasutomi ^{[1
,2
]}

Harashima, Yosuke ^{[2
,3
]}

Miyake, Takashi ^{[2
,3
,4
]}

Gohda, Yoshihiro ^{[1
,2
]}

机构：

[1] Tokyo Inst Technol, Dept Mat Sci & Engn, Yokohama, Kanagawa 2268502, Japan

[2] Natl Inst Mat Sci, ESICMM, Tsukuba, Ibaraki 3050047, Japan

[3] Natl Inst Adv Ind Sci & Technol, CD FMat, Tsukuba, Ibaraki 3058568, Japan

[4] Natl Inst Mat Sci, MaDIS, CMI2, Tsukuba, Ibaraki 3050047, Japan

来源：

PHYSICAL REVIEW MATERIALS | 2018年 / 2卷 / 07期

基金：

日本科学技术振兴机构;

关键词：

PERMANENT-MAGNET MATERIALS; CRYSTAL-STRUCTURE; ALLOYS; IRON; APPROXIMATION; MAGNETIZATION; NEUTRON; Y2FE14B; BASE;

D O I：

10.1103/PhysRevMaterials.2.074410

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The magnetic properties and structural stability of Nd2Fe14X (X = B, C, N, o, F) are theoretically studied by first-principles calculations focusing on the role of X. We find that B reduces the magnetic moment (per formula unit) and magnetization (per volume) in Nd2Fe14B. The crystal-field parameter A2(0)< r(2)> of Nd is not enhanced either, suggesting that B has minor roles in the uniaxial magnetocrystalline anisotropy of Nd. These findings are in contrast to the long-held belief that B works positively for the magnetic properties of Nd2Fe14B. As X changes from B to C, N, O, and F, both the magnetic properties and stability vary significantly. The formation energies of Nd2Fe14X and alpha-Fe relative to that of Nd2Fe17X are negative for X = B and C, whereas they are positive when X = N, O, and F. This indicates that B plays an important role in stabilizing the Nd2Fe14B phase.

引用

页数：9

共 39 条

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