Finite-temperature study of itinerant ferromagnetism in Fe, Co, and Ni

被引:191
作者
Rosengaard, NM
Johansson, B
机构
[1] Condensed Matter Theory Group, Physics Department, Uppsala University
来源
PHYSICAL REVIEW B | 1997年 / 55卷 / 22期
关键词
D O I
10.1103/PhysRevB.55.14975
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We propose a simple model for itinerant magnetism in the ferromagnetic transition metals. The model incorporates both the energy of moment formation, and the energy of moment ordering. The parameters of the model are determined from first-principles density-functional calculations for the ferromagnetic state and a number of spin spiral states. The simplicity of the magnetic energy functional allows extensive Monte Carlo simulations to be performed. Results far the finite-temperature magnetic properties of body-centered-cubic Fe, and face-centered-cubic Co and Ni are presented.
引用
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页码:14975 / 14986
页数:12
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