期刊
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
卷 290, 期 -, 页码 357-363出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jmmm.2004.11.260
关键词
magnetostriction; density functional calculations; exchange interactions; rare earth; intermetallic compounds
A first-principle theory of spontaneous volume magnetostriction is presented. It is based on self-consistent electronic structure calculations for a magnetically ordered ground state and a disordered local moment state. The effect of highly localized 4f orbitals of rare-earth (R) atoms is taken into account by an open-core treatment within the local spin-density approximation. The theory is applied to hexagonal gadolinium and to selected intermetallic compounds with the cubic C15 Laves structure: RCo2 (R = Gd, Dy, Er) and GdAl2. The results are compared to those of experiment and discussed in terms of. (i) magnitudes of the local moments and (ii) volume-dependent exchange interactions. (c) 2004 Elsevier B.V. All rights reserved.
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