Gruner, Markus; Hoffmann, Egbert; Entel, Peter:
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
2003Artikel/Aufsatz in Zeitschrift
Physik (inkl. Astronomie)
thp
Damit verbunden: 1 Publikation(en)
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
0000-0002-2306-1258ORCID iD
Sonstiges
der Hochschule zugeordnete*r Autor*in
;
Hoffmann, Egbert;Entel, PeterUDE
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.