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Instability of the rhodium magnetic moment as the origin of the metamagnetic phase transition in α − FeRh

2003; American Physical Society; Volume: 67; Issue: 6 Linguagem: Inglês

10.1103/physrevb.67.064415

1095-3795

Markus E. Gruner, E. Hoffmann, P. Entel,

Magnetic properties of thin films

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.