ABINITIO CALCULATION OF MAGNETIC-MOMENTS AND HYPERFINE FIELDS IN Y2FE17Z3 (Z = H, C, N)

被引：58

作者：

BEUERLE, T

FAHNLE, M

机构：

[1] Institut Für Physik, Max-Planck-Institut Für Metallforschung, Stuttgart

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 1992年 / 174卷 / 01期

关键词：

D O I：

10.1002/pssb.2221740126

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The local magnetic moments and hyperfine fields on the crystallographically different Fe and Y sites and on the interstitial atoms Z are calculated for the technologically important hard magnetic compounds Y2Fe17 and Y2Fe17Z3 with Z = H, C, N by means of the local-spin-density approximation and the linear-muffin-tin-orbital theory in atomic-sphere approximation. The competing effects of volume expansion and hybridization between the interstitial atoms and the neighbouring Fe atoms are discussed, and the limitations of the atomic-sphere approximation are elucidated.

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页码：257 / 272

页数：16

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