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Cobalt based new quaternary Heusler alloys for Spintronic and thermoelectric applications: an Ab-initio study.
- Source :
- Materials Technology; Sep2022, Vol. 37 Issue 11, p1936-1946, 11p
- Publication Year :
- 2022
-
Abstract
- In this paper, we employed Density Functional Theory (DFT) to study structural and mechanical stability, electric, magnetic and electronic properties of cubic Co-based new quaternary half-Heusler alloys CoZrCrZ (Z = Al, Ga, In) using WIEN2k. Volume optimisation suggests that these alloys are stable in the Y1 structure and show ferromagnetic behavioTAur. Generalised Gradient approximation calculations confirm the half-metallic nature of the reported alloys, which show metallic nature, and semiconducting band gaps exist in spin-up and spin-down channels, respectively. From the calculated cubic elastic constants, the reported Heusler alloys shows ductile nature. The calculated spin-magnetic moments of CoZrCrZ (Z = Al, Ga, In) are consistent with the Slater-Pauling rule. The very fine narrow band gap in the spin-down channel enhances the thermoelectric properties. The reported ferromagnetic half-metals with good thermoelectric parameters suggests that these alloys have possible applications in spin-based electronics and green energy technology. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 10667857
- Volume :
- 37
- Issue :
- 11
- Database :
- Complementary Index
- Journal :
- Materials Technology
- Publication Type :
- Academic Journal
- Accession number :
- 158962609
- Full Text :
- https://doi.org/10.1080/10667857.2021.2014030