First-principles investigations of electronic and magnetic properties of Fe2V1-xCrxSi Heusler alloys

Full-Heusler alloys with chemical formula X2YZ (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 Fe2V1-xCrxS...

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Bibliographic Details
Published in:Journal of physics. Conference series 2021-04, Vol.1849 (1)
Main Authors: Joshi, P K, Kumar, K, Arora, G, Mali, D, Jangid, P K, Ahuja, B L
Format: Article
Language:English
Subjects:
Chromium
Energy bands
First principles
Heusler alloys
Intermetallic compounds
Magnetic moments
Magnetic properties
Metallicity
Physics
Plane waves
Spintronics
Transition metals
Yttrium
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Summary:Full-Heusler alloys with chemical formula X2YZ (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 Fe2V1-xCrxSi (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 Fe2VSi and Fe2V0.5Cr0.5Si does not show half-metallic character while Fe2CrSi alloy shows half-metallicity. We observe increase in total magnetic moment with increasing Cr concentration in Fe2V1-xCrxSi. Further, density of states and energy bands are discussed to interpret the half-metallic character in Fe2V1-xCrxSi.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/1849/1/012030