Instability of the rhodium magnetic moment as origin of the metamagnetic phase transition in alpha-FeRh
arXiv:cond-mat/0207577 · doi:10.1103/PhysRevB.67.064415
Abstract
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 experimentally is observed for stoichiometric alpha-FeRh. A first-principle spin-based model allows 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 magneto-volume effects in alpha-FeRh.
10 pages, 13 figures, accepted for publication in Phys. Rev. B
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