STONER EXCHANGE INTERACTION IN TRANSITION-METALS

被引:112
作者
STOLLHOFF, G
OLES, AM
HEINE, V
机构
[1] Max-Planck-Institut für Festkörperforschung
关键词
D O I
10.1103/PhysRevB.41.7028
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The theory of magnetism in transition metals is often expressed in terms of a Stoner exchange parameter I. Results for I are presented from electronic-structure calculations with correlations for a d-band-only Hubbard type of Hamiltonian. The main effects are: (a) Due to correlation, I depends substantially on the volume via the bandwidth. (b) There are analogous corrections to lattice constants calculated with the local-density approximation (LDA). (c) I also depends on magnetization, band filling, and crystal structure. (d) In Ni the reduction of charge and spin fluctuations almost eliminates the contribution to I of exchange between different orbitals. (e) I computed in the LDA is usually overestimated by 10%20% because the LDA largely neglects spin correlations. © 1990 The American Physical Society.
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页码:7028 / 7041
页数:14
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