The investigation of electronic nature and mechanical properties under spin effects for new half-metallic ferromagnetic chalcogenides Ag3CrX4 (X = S, Se, and Te)
Journal of Magnetism and Magnetic Materials（2021）
Abstract
•Ferromagnetic phase is found to be the most stable phase for Ag3CrX4 compounds.•Ag3CrS4, Ag3CrSe4, and Ag3CrTe4 compounds have a half-metallic character.•Ag3CrX4 compounds can be considered as very soft and ductile materials.
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Key words
Half-metallic,Magnetic stability,Electronic band structure,Mechanical properties,DFT,Chalcogenides
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