Instability of the rhodium magnetic moment as the origin of the metamagnetic phase transition in α-FeRh -: art. no. 064415

被引:94
作者
Gruner, ME [1 ]
Hoffmann, E [1 ]
Entel, P [1 ]
机构
[1] Univ Duisburg, D-47048 Duisburg, Germany
来源
PHYSICAL REVIEW B | 2003年 / 67卷 / 06期
关键词
D O I
10.1103/PhysRevB.67.064415
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Based on ab initio total energy calculations we show that two magnetic states of rhodium atoms together with competing ferromagnetic and antiferromagnetic exchange interactions are responsible for a temperature-induced metamagnetic phase transition, which is experimentally observed for stoichiometric alpha-FeRh. Taking into account the results of previous and newly performed first-principles calculations we present a spin-based model, which allows us to reproduce this first-order metamagnetic transition by means of Monte Carlo simulations. Further inclusion of spacial variation of exchange parameters leads to a realistic description of the experimental magnetovolume effects in alpha-FeRh.
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页数:10
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