Site-Preference, Electronic, Magnetic, and Half-Metal Properties of Full-Heusler Sc<sub>2</sub>VGe and a Discussion on the Uniform Strain and Tetragonal Deformation Effects

Site-Preference, Electronic, Magnetic, and Half-Metal Properties of Full-Heusler Sc<sub>2</sub>VGe and a Discussion on the Uniform Strain and Tetragonal Deformation Effects

A hypothetical full-Heusler alloy, Sc<sub>2</sub>VGe, was analyzed, and the comparison between the XA and L2<sub>1</sub> structures of this alloy was studied based on first-principles calculations. We found that the L2<sub>1</sub>-type structure was more stable th...

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Bibliographic Details
Main Authors: Zongbin Chen, Heju Xu, Yongchun Gao, Xiaotian Wang, Tie Yang
Format: Article
Language:English
Published: MDPI AG 2019-08-01
Series:Crystals
Subjects:
full-heusler
half-metal
direct band gap
first principles
Online Access:https://www.mdpi.com/2073-4352/9/9/445

Internet

https://www.mdpi.com/2073-4352/9/9/445

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