| Summary: | 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 than the XA one. Further, the electronic structures of both types of structure were also investigated based on the calculated band structures. Results show that the physical nature of L2<sub>1</sub>-type Sc<sub>2</sub>VGe is metallic; however, XA-type Sc<sub>2</sub>VGe is a half-metal (HM) with 100% spin polarization. When XA-type Sc<sub>2</sub>VGe is at its equilibrium lattice parameter, its total magnetic moment is 3 <inline-formula> <math display="inline"> <semantics> <mrow> <msub> <mi mathvariant="sans-serif">μ</mi> <mi mathvariant="normal">B</mi> </msub> </mrow> </semantics> </math> </inline-formula>, and its total magnetism is mainly attributed to the V atom. The effects of uniform strain and tetragonal lattice distortion on the electronic structures and half-metallic states of XA-type Sc<sub>2</sub>VGe were also studied. All the aforementioned results indicate that XA-type Sc<sub>2</sub>VGe would be an ideal candidate for spintronics studies, such as spin generation and injection.
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