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

收藏

页码：10004 / 10008

页数：5

相关论文

共 24 条

[1]

AKAI H, 1990, PROG THEOR PHYS SUPP, P11, DOI 10.1143/PTPS.101.11

[2] ELECTRONIC-STRUCTURE OF IMPURITIES IN FERROMAGNETIC IRON .3. LIGHT INTERSTITIALS [J].

AKAI, M ;

AKAI, H ;

KANAMORI, J .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1987, 56 (03) :1064-1077

[3]

AKAI M, 1983, J MAGN MAGN MATER, V31-4, P551, DOI 10.1016/0304-8853(83)90573-5

[4] FULL-POTENTIAL CALCULATIONS OF THE MAGNETIZATION OF FE16N2 AND FE4N [J].

COEHOORN, R ;

DAALDEROP, GHO ;

JANSEN, HJF .

PHYSICAL REVIEW B, 1993, 48 (06) :3830-3834

[5] ABINITIO CALCULATIONS OF THE ELECTRONIC-STRUCTURE OF IMPURITIES AND ALLOYS OF FERROMAGNETIC TRANSITION-METALS [J].

DEDERICHS, PH ;

ZELLER, R ;

AKAI, H ;

EBERT, H .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1991, 100 (1-3) :241-260

[6] EXPLICIT LOCAL EXCHANGE-CORRELATION POTENTIALS [J].

HEDIN, L ;

LUNDQVIS.BI .

JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1971, 4 (14) :2064-&

[7] ELECTRONIC-STRUCTURES AND MAGNETIC-PROPERTIES OF FE16X2 (X = B, C AND N) [J].

ISHIDA, S ;

KITAWATASE, K ;

FUJII, S ;

ASANO, S .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1992, 4 (03) :765-774

[8] THE OCCURRENCE AND THE CRYSTAL STRUCTURE OF ALPHA''-IRON NITRIDE - A NEW TYPE OF INTERSTITIAL ALLOY FORMED DURING THE TEMPERING OF NITROGEN-MARTENSITE [J].

JACK, KH .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 208 (1093) :216-224

[9] NEW MAGNETIC MATERIAL HAVING ULTRAHIGH MAGNETIC-MOMENT [J].

KIM, TK ;

TAKAHASHI, M .

APPLIED PHYSICS LETTERS, 1972, 20 (12) :492-+

[10]

Mater S., 1992, Z PHYS B, V87, P91