Abstract:
The physical properties of two new quaternary Heusler alloys CoMnVSn and CoMnVSb were systematically studied by using first-principles calculation. The results show that the type-1 structures of ferromagnetic phase for these two alloys are the most stable. They all exhibit half-metallic behavior at equilibrium, and their half-metallic characteristics are maintained in the lattice region of
5.73–6.19 $\mathring{\mathrm{A}}$ for CoMnVSn and 5.82–6.18 $\mathring{\mathrm{A}}$ for CoMnVSb. The calculated magnetic moment Mt of each molecular unit in the half-metal lattice region strictly follows the Slater–Pauling empirical rule $M_t=Z_t-24$, where $Z_t$ is the number of valence electrons. The elastic constants show that the mechanical properties of the two compounds are stable at equilibrium, and the anisotropy factor and three-dimensional Young’s modulus confirm that they have anisotropy. It is expected that the CoMnVSn and CoMnVSb alloys are promising candidates in spintronics
Keywords:
quaternary Heusler alloy, electronic structure, half-metal, first principles.
Funding agency
Grant number
Hubei University of Automotive Technology
2017CFB740 DC2019118
Natural Science Foundation of Hubei Province
2017CFB740
This work is supported by the Doctoral Scientific Research Foundation of Hubei University of Automotive Technology (grant no. BK201804), the Natural Science Foundation of Hubei Province (grant no. 2017CFB740), and the Innovation Training Program for College Students of Hubei University of Automotive Technology (grant no. DC2019118).
Citation:
H.-J. Zhou, H.-M. Huang, S.-J. Luo, “First-principles study of the physical properties of the new quaternary Heusler alloy CoMnVZ ($Z$ = Sn and Sb)”, Fizika Tverdogo Tela, 63:2 (2021), 248; Phys. Solid State, 63:2 (2021), 272–278
\Bibitem{ZhoHuaLuo21}
\by H.-J.~Zhou, H.-M.~Huang, S.-J.~Luo
\paper First-principles study of the physical properties of the new quaternary Heusler alloy CoMnVZ ($Z$ = Sn and Sb)
\jour Fizika Tverdogo Tela
\yr 2021
\vol 63
\issue 2
\pages 248
\mathnet{http://mi.mathnet.ru/ftt10156}
\transl
\jour Phys. Solid State
\yr 2021
\vol 63
\issue 2
\pages 272--278
\crossref{https://doi.org/10.1134/S1063783421020128}
Linking options:
https://www.mathnet.ru/eng/ftt10156
https://www.mathnet.ru/eng/ftt/v63/i2/p248
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