Open AccessИсследование структуры и магнитных свойств сплавов Fe-=SUB=-8-=/SUB=-Rh-=SUB=-8-x-=/SUB=-Z-=SUB=-x-=/SUB=- (Z=Mn, Pt, Co; x=1, 2 и 3) первопринципными методами
Author(s) -
O. O. Pavlukhina,
В.В. Соколовский,
V. D. Buchelnikov,
М. А. Загребин
Publication year - 2018
Publication title -
fizika tverdogo tela
Language(s) - English
Resource type - Journals
eISSN - 1726-7498
pISSN - 0367-3294
DOI - 10.21883/ftt.2018.06.45986.18m
Subject(s) - tetragonal crystal system , magnetic moment , lattice constant , lattice (music) , materials science , crystallography , condensed matter physics , doping , chemistry , crystal structure , physics , diffraction , acoustics , optics
The results of first-principles studies of the structure and magnetic properties of Fe–Rh–Z alloys conducted using the VASP package are reported. The magnetic moments and lattice parameters are determined, and the possibility of existence of stable tetragonal distortions in Fe–Rh–Z alloys with various magnetic configurations set by the level of doping with Mn, Pt, and Co is examined. It is demonstrated that the equilibrium lattice parameter and the type of magnetic ordering change with the concentration of the third element.