FORMATION OF MAGNETIC-MOMENTS ON IRON IMPURITIES IN TRANSITION-METAL HOSTS

被引：57

作者：

BEUERLE, T

HUMMLER, K

ELSASSER, C

FAHNLE, M

机构：

[1] Max-Planck-Institut für Metallforschung, Institut für Physik, D-70569 Stuttgart

来源：

PHYSICAL REVIEW B | 1994年 / 49卷 / 13期

关键词：

D O I：

10.1103/PhysRevB.49.8802

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The role of crystal symmetry for the formation of magnetic moments on iron impurities in transition-metal hosts is elucidated. To do this, ab initio calculations within the framework of the local-spin-density approximation are performed for iron atoms in 3d, 4d, and 5d transition-metal hosts, both for hypothetical bcc structures as well as for the real structures of the hosts. It is shown that the systematics of the formation of magnetic moments is related to the fact that the degree of hybridization among the T2g and E(g) orbitals depends on the crystal symmetry. The results for the magnetic moments and hyperfine fields are compared with experimental data and with results from other calculations.

引用

页码：8802 / 8810

页数：9

共 32 条

[21]

MORUZZI VL, 1978, CALCULATED ELECTRONI

[22]

Mott N. F., 1974, METAL INSULATOR TRAN

[23] GIANT MOMENTS IN PALLADIUM [J].

OSWALD, A ;

ZELLER, R ;

DEDERICHS, PH .

PHYSICAL REVIEW LETTERS, 1986, 56 (13) :1419-1422

[24] 1ST-PRINCIPLES REAL-SPACE CALCULATIONS OF FE IMPURITIES IN MO AND NB [J].

PETRILLI, HM ;

FROTAPESSOA, S .

PHYSICAL REVIEW B, 1993, 48 (10) :7148-7153

[25] ELECTRONIC-STRUCTURE OF MAGNETIC-IMPURITIES CALCULATED FROM 1ST PRINCIPLES [J].

PODLOUCKY, R ;

ZELLER, R ;

DEDERICHS, PH .

PHYSICAL REVIEW B, 1980, 22 (12) :5777-5790

[26] ELECTRONIC-STRUCTURE OF 3D AND 4D IMPURITIES IN MO AND NB [J].

PODLOUCKY, R ;

DEUTZ, J ;

ZELLER, R ;

DEDERICHS, PH .

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 1982, 112 (02) :515-524

[27] MAGNETISM AND ELECTRONIC-STRUCTURE OF 3D AND 4D IONS IN METALS [J].

RIEGEL, D ;

GROSS, KD .

PHYSICA B, 1990, 163 (1-3) :678-682

[28] EXISTENCE AND STABILITY OF MAGNETIC 3D MOMENTS IN NOBLE-METAL AND TRANSITION-METAL HOSTS [J].

RIEGEL, D ;

BUERMANN, L ;

GROSS, KD ;

LUSZIKBHADRA, M ;

MISHRA, SN .

PHYSICAL REVIEW LETTERS, 1989, 62 (03) :316-319

[29] Collective electron ferromagnetism [J].

Stoner, EC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1938, 165 (A922) :0372-0414

[30] LOCAL EXCHANGE-CORRELATION POTENTIAL FOR SPIN POLARIZED CASE .1. [J].

VONBARTH, U ;

HEDIN, L .

JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1972, 5 (13) :1629-+

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