Open AccessFirst-principles investigations of electronic and magnetic properties of Fe2V1-xCrxSi Heusler alloys
Author(s) -
P K Joshi,
K. Ramesh Kumar,
G Arora,
D Mali,
P K Jangid,
B L Ahuja
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1849/1/012030
Subject(s) - spintronics , materials science , intermetallic , magnetic moment , condensed matter physics , alloy , metal , atom (system on chip) , transition metal , doping , electronic structure , crystallography , ferromagnetism , metallurgy , physics , chemistry , biochemistry , computer science , embedded system , catalysis , optoelectronics
Full-Heusler alloys with chemical formula X 2 YZ (X and Y being 3d and 4d transition metal elements and Z is p-block element) are interesting intermetallics because of their half metallic and spintronics applications. In this paper, the effect of doping of Cr atom at V-site of full-Heusler Fe 2 V 1-x Cr x Si (x=0, 0.5, 1.0) on their electronic and magnetic response is studied using full potential linearized augmented plane wave method. It is observed that Fe 2 VSi and Fe 2 V 0.5 Cr 0.5 Si does not show half-metallic character while Fe 2 CrSi alloy shows half-metallicity. We observe increase in total magnetic moment with increasing Cr concentration in Fe 2 V 1-x Cr x Si. Further, density of states and energy bands are discussed to interpret the half-metallic character in Fe 2 V 1-x Cr x Si.