STRUCTURAL, ELECTRONIC, AND MAGNETIC-PROPERTIES OF FE16N2

被引：33

作者：

SAWADA, H

NOGAMI, A

MATSUMIYA, T

机构：

[1] NIPPON STEEL CORP LTD, ADV MAT & TECHNOL RES LABS, NAKAHARA KU, KAWASAKI 211, JAPAN

[2] HIROSHIMA UNIV, DEPT MAT SCI, HIROSHIMA 724, JAPAN

来源：

PHYSICAL REVIEW B | 1994年 / 50卷 / 14期

关键词：

D O I：

10.1103/PhysRevB.50.10004

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The crystal structure of Fe16N2 was optimized by calculating atomic forces on the basis of an augmented-plane-wave force method. We found interesting cooperative structural relaxations of the iron atoms around the nitrogen, though the optimized structure is not far from the experimental proposal. Calculated hyperfine fields for each iron site for the optimized Fe16N2 show an interesting systematic feature when compared with experimental results.

引用

页码：10004 / 10008

页数：5

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