Instability of the rhodium magnetic moment as the origin of the metamagnetic phase transition in α-FeRh
In: Physical Review B : Condensed matter and materials physics, Band 67 (2003), S. 064415
Titel:
Instability of the rhodium magnetic moment as the origin of the metamagnetic phase transition in α-FeRh
Autor*in:
Gruner, MarkusUDE
- GND
- 128899808
- LSF ID
- 10281
- ORCID
- 0000-0002-2306-1258
- Sonstiges
- der Hochschule zugeordnete*r Autor*in
- LSF ID
- 1127
- Sonstiges
- der Hochschule zugeordnete*r Autor*in
Erscheinungsjahr:
2003
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 is experimentally observed for stoichiometric α-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 α-FeRh.