M. V. Matyunina, M. A. Zagrebin, V. V. Sokolovskiy, V. D. Buchel'nikov, “Ab initio calculation of structure and magnetic properties of Fe${}_{1-x}$Ga${}_x$ alloys”, Chelyab. Fiz.-Mat. Zh., 2016, Volume 1, Issue 4,Pages 112

This article is cited in 2 papers

Physics

Ab initio calculation of structure and magnetic properties of Fe${}_{1-x}$Ga${}_x$ alloys

M. V. Matyunina^a, M. A. Zagrebin^ab, V. V. Sokolovskiy^ac, V. D. Buchel'nikov^a

^a Chelyabinsk State University, Chelyabinsk, Russia
^b South Ural State University (National Research University), Chelyabinsk, Russia
^c National University of Science and Technology «MISIS», Moscow, Russia

Abstract: Structure and magnetic properties of Fe$_{1-x}$Ga$_x$ alloys have been investigated by using density functional theory calculations implemented in the SPR-KKR software package. The equilibrium lattice parameters for A2, DO$_3$, L1$_2$ phases were found. Magneto-crystalline anisotropy energy were estimated for DO$_3$ and L1$_2$ phases of Fe$_{1-x}$Ga$_x$ ($x$ = 0.0–0.30) alloys.

Keywords: magnetostriction, Fe-Ga, energy of magneto-crystalline anisotropy, ab initio calculation.

UDC: 538.9

Received: 24.10.2016
Revised: 05.11.2016