1ST PRINCIPLES CALCULATIONS OF THE HYPERFINE FIELD AT GD NUCLEI IN INTERMETALLIC COMPOUNDS

被引：28

作者：

COEHOORN, R

BUSCHOW, KHJ

机构：

[1] Philips Research Laboratories, 5600 JA Eindhoven

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 1993年 / 118卷 / 1-2期

关键词：

D O I：

10.1016/0304-8853(93)90174-Z

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Self-consistent scalar relativistic band structure calculations have been performed to calculate the hyperfine field at the Gd nucleus in elemental hcp Gd and in a large number of intermetallic compounds including GdCo5, Gd2Fe17, Gd2Fe17N3 and Gd2Fe14B. The wide range of experimentally observed hyperfine fields is explained adequately by the theory. However, the calculated and experimental hyperfine fields differ systematically by an overall shift of approximately 25 T. To a good approximation the hyperfine field is linearly related to the Gd 6s partial magnetic moment.

引用

收藏

页码：175 / 181

页数：7

相关论文

共 21 条

[1]

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

[2] ISOMER-SHIFTS AND THEIR RELATION TO CHARGE-TRANSFER IN DILUTE FE ALLOYS [J].

AKAI, H ;

BLUGEL, S ;

ZELLER, R ;

DEDERICHS, PH .

PHYSICAL REVIEW LETTERS, 1986, 56 (22) :2407-2410

[3] ELECTRONIC-STRUCTURE OF HCP METALS [J].

BLAHA, P ;

SCHWARZ, K ;

DEDERICHS, PH .

PHYSICAL REVIEW B, 1988, 38 (14) :9368-9374

[4] HYPERFINE FIELDS OF 3D AND 4D IMPURITIES IN NICKEL [J].

BLUGEL, S ;

AKAI, H ;

ZELLER, R ;

DEDERICHS, PH .

PHYSICAL REVIEW B, 1987, 35 (07) :3271-3283

[5] CALCULATED GROUND-STATE PROPERTIES OF LIGHT ACTINIDE METALS AND THEIR COMPOUNDS [J].

BROOKS, MSS .

PHYSICA B & C, 1985, 130 (1-3) :6-12

[6]

BUSCHOW KHJ, 1988, HDB FERROMAGNETIC MA, V4, P1, DOI DOI 10.1016/S1574-9304(05)80076-8

[7] 1ST PRINCIPLES BAND-STRUCTURE CALCULATIONS FOR RARE-EARTH TRANSITION-METAL COMPOUNDS - MAGNETIZATION, HYPERFINE PARAMETERS AND MAGNETOCRYSTALLINE ANISOTROPY [J].

COEHOORN, R .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1991, 99 (1-3) :55-70

[8] VALENCE-ELECTRON CONTRIBUTIONS TO THE ELECTRIC-FIELD GRADIENT IN HCP METALS AND AT GD NUCLEI IN INTERMETALLIC COMPOUNDS WITH THE THCR2SI2 STRUCTURE [J].

COEHOORN, R ;

BUSCHOW, KHJ ;

DIRKEN, MW ;

THIEL, RC .

PHYSICAL REVIEW B, 1990, 42 (07) :4645-4655

[9] CALCULATION OF HYPERFINE FIELDS IN BINARY Y-FE COMPOUNDS AND IN Y2FE14B [J].

COEHOORN, R ;

DENISSEN, CJM ;

EPPENGA, R .

JOURNAL OF APPLIED PHYSICS, 1991, 69 (08) :6222-6224

[10] MAGNETOCRYSTALLINE ANISOTROPY IN NEW MAGNETIC-MATERIALS [J].

COEHOORN, R ;

DAALDEROP, GHO .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1992, 104 :1081-1085