Electronic structures, magnetic properties and mechanical stability of half-metallic quaternary Heusler CoMnVTe

被引：0

作者：

Huang, H.M. ^{[1
]}

Zhou, H.J. ^{[1
]}

Liu, G.Y. ^{[1
]}

Laref, A. ^{[2
]}

Liu, L.M. ^{[1
]}

机构：

[1] School of Science, Hubei University of Automotive Technology, Shiyan,442002, China

[2] Department of Physics and Astronomy, College of Science, King Saud University, Riyadh, Saudi Arabia

来源：

Applied Physics A: Materials Science and Processing | 2020年 / 126卷 / 11期

关键词：

Cobalt compounds - Anisotropy - Manganese compounds - Lattice constants - Metals - Spin polarization - Magnetic properties;

D O I：

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学科分类号：

摘要：

The electronic structures, magnetic properties and mechanical stability of three configurations of a promising half-metallic quaternary Heusler compound CoMnVTe were systematically and comprehensively studied by the first-principle calculations. The results show that type-I and type-II configurations present half-metallic behavior with 100% spin polarization. Especially the type-I configuration has the most stable structure among these three configurations. The type-I, type-II configurations can maintain the half-metallic character within the lattice constant 5.47–6.12 Å and 5.82–6.23 Å, respectively. Anisotropy factor and three-dimensional (3D) Young’s modulus indicate that these three configurations of CoMnVTe compound are anisotropic. The type-I and type-II configurations own stable mechanical properties in some and all half-metallic lattice constant regions, respectively. The test results of strong correlation correction show that the U value has a visible effect on the half-metallic properties of the title compound. The (001)@VTe and (111)@V surfaces of type-I configuration also have half-metallic properties. The robust half-metallic properties and mechanical stability make the quaternary Heusler compound CoMnVTe a promising candidate for spintronic devices. © 2020, Springer-Verlag GmbH Germany, part of Springer Nature.

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