Instability of the rhodium magnetic moment as the origin of the metamagnetic phase transition inα−FeRh
Physical Review B (Condensed Matter)
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
... rameters leads to a realistic description of the experimental magneto-volume effects in alpha-FeRh.