Theoretical insight into the stability, magneto-electronic and thermoelectric properties of V2MnAs Heusler alloy

Recognized for its precision in investigating physical properties, we employed the full-potential linearized augmented plane wave (FP-LAPW) method in this study to scrutinize the mechanical, electronic, magnetic, and thermoelectric properties of the V 2 MnAs full-Heusler (FH) alloy. The phase stabil...

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Bibliographic Details
Published in:Indian journal of physics 2024-05, Vol.98 (5), p.1601-1610
Main Authors: Bourachid, I., Caid, M., Rached, Y., Rached, D., Bouafia, H., Abidri, B., Rached, H., Heireche, H.
Format: Article
Language:English
Subjects:
Astrophysics and Astroparticles
Bulk modulus
Elastic properties
Heusler alloys
Lattice parameters
Magnetic moments
Magnetic properties
Mathematical analysis
Modulus of elasticity
Original Paper
Phase stability
Physical properties
Physics
Physics and Astronomy
Plane waves
Shear modulus
Thermoelectricity
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Summary:Recognized for its precision in investigating physical properties, we employed the full-potential linearized augmented plane wave (FP-LAPW) method in this study to scrutinize the mechanical, electronic, magnetic, and thermoelectric properties of the V 2 MnAs full-Heusler (FH) alloy. The phase stability calculation of the V 2 MnAs FH alloy predicts stability in an XA-type configuration with a ferrimagnetic (FiM) state. We calculated ground state properties, including lattice parameters, elastic constants, bulk modulus, and pressure derivatives. Magneto-electronic calculations indicate that the V 2 MnAs FH alloy displays half-metallic behavior, accompanied and confirmed by an integer magnetic moment. Analysis of the bulk-to-shear modulus B/G ratio (Pugh’s ratio) and Poisson’s ratio values reveals the ductility of the V 2 MnAs FH alloy. The anisotropic factor suggests that V 2 MnAs FH alloy exhibit anisotropic. Finally, we computed thermoelectric responses to explore the potential of the V 2 MnAs FH alloy, and we provided an in-depth discussion of the analysis results. This sheds light on the alloy’s thermoelectric capabilities and potential applications.
ISSN:0973-1458
0974-9845
DOI:10.1007/s12648-023-02923-5