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 applied in spintronic devices. Meanwhile, they absorb strongly in the infrared band, suggesting that Ga1−xMnxSb also has potential applications in infrared photoelectric devices.
@article{arxiv.1903.10818,
title = {Electronic, magnetic, and optical properties of Mn-doped GaSb: a first-principles study},
author = {Chuang Wang and Wenhui Wan and Yanfeng Ge and Yong-Hong Zhao and Kaicheng Zhang and Yong Liu},
journal= {arXiv preprint arXiv:1903.10818},
year = {2020}
}