Instability of the rhodium magnetic moment as origin of the metamagnetic phase transition in alpha-FeRh

Details Instability of the rhodium magnetic moment as origin of the metamagnetic phase transition in alpha-FeRh Instability of the rhodium magnetic moment as origin of the metamagnetic phase transition in alpha-FeRh

2002-07-24

arxiv.org/abs/cond-mat/0207577v3

Phys. Rev. B 67, 064415 (2003)

Physics

Condensed Matter

Materials Science

10 pages, 13 figures, accepted for publication in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.67.064415

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.

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