Electronic Structure and Magnetic Properties of FeRhSn1 − xZx Alloys (Z = Ge, Si, Sb): First Principles Studies.

Autor:	Pavlukhina, O. O., Sokolovskiy, V. V., Buchelnikov, V. D.
Předmět:	SILICON alloys MAGNETIC structure ELECTRONIC structure MAGNETIC properties ALLOYS CONDUCTION bands LEAD alloys
Zdroj:	Physics of Metals & Metallography; Nov2023, Vol. 124 Issue 11, p1147-1152, 6p
Abstrakt:	Abstract—Magnetic properties and electronic structure inherent in FeRhSn1 − xZx alloys (x = 0, 0.25, 0.5, 0.75, 1) have been studied with the use of first-principles methods in an environment of a VASP software package. It is shown that the γ-phase is energetically favorable in the case of all the alloys, except for the FeRhSi alloy, for which the β-phase is the equilibrium one. It has been shown that the addition of a fourth element to a three-component alloy leads to a change in the position of the valence band and conduction band with respect to the Fermi level, which makes it possible to obtain novel four-component alloys exhibiting an entirely overwhelming spin polarization. It is shown that the FeRhSn1 − xGex alloy (x = 0, 0.25, 0.5, 0.75, 1), FeRhSn1 − xSix alloy (x = 0, 0.25, 0.5, 0.75), and FeRhSn1 − xSbx alloy (x = 0, 0.25) represent halfmetallic ferromagnets. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
Externí odkaz:	Zobrazit plný text záznamu Full text from SpringerLink