Electronic, magnetic, and optical properties of Mn-doped GaSb: A first-principles study

Abstract Half-metallic ferromagnets can produce fully spin-polarized conduction electrons and can be applied to fabricate spintronic devices. Thus, in this study, the electronic structure, magnetic properties, and optical properties of GaSb, which has exhibited half-metallicity, doped with Mn, a 3d transition metal, are calculated using the generalized gradient approximation and Heyd-Scuseria-Ernzerhof (HSE) functional. Ga1−xMnxSb (x = 0.25, 0.5, 0.75) materials exhibit ferromagnetic half-metallic properties and a high Curie temperature, indicating that this series can be applied in spintronic devices. Meanwhile, they absorb strongly in the infrared band, suggesting that Ga1−xMnxSb also has potential applications in infrared photoelectric devices.