A unified approach to electronic, thermodynamical, and transport properties of Fe.sub.3./sub.Si and Fe.sub.3./sub.Al alloys

0438796 - FZÚ 2015 RIV US eng J - Článek v odborném periodiku
Kudrnovský, Josef - Drchal, Václav - Bergqvist, L. - Rusz, J. - Turek, I. - Újfalussy, B. - Vincze, I.
A unified approach to electronic, thermodynamical, and transport properties of Fe₃Si and Fe₃Al alloys.
Physical Review. B. Roč. 90, č. 13 (2014), "134408-1"-"134408-10". ISSN 1098-0121
Grant CEP: GA ČR GAP204/12/0692
Institucionální podpora: RVO:68378271
Klíčová slova: phase stability * Curie temperature * spin-stiffness * magnon spectra * resisdual resistivities * Fe₃Si and Fe₃Al * first-principles
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 3.736, rok: 2014

Relevant physical properties of Fe3X (X=Al,Si) alloys with D03-lattice are studied from first principles. We have determined in the framework ofa unified electronic structure model magnetic moments, phase stability including order-disorder temperature, exchange interactions and Curie temperatures, temperature dependent magnetizations, magnon spectra and spin-stiffnesses, and residula resistivities all in a good agreement with the experiment.
Trvalý link: http://hdl.handle.net/11104/0242168