The extraordinary properties and the novel applications of black phosphorene induce the research interest on the monolayer group-IV monochalcogenides. Here using the first-principles calculations, we systematically investigate the electronic, transport and optical properties of monolayer α− and β−GeSe, the latter of which was recently experimentally realized. We found that, monolayer α−GeSe is a semiconductor with direct band gap of 1.6 eV, and β−GeSe displays indirect semiconductor with the gap of 2.47 eV, respectively. For monolayer β−GeSe, the electronic/hole transport is anisotropic with an extremely high electron mobility of 7.84 ×104cm2/V⋅s along the zigzag direction, comparable to that of black phosphorene. Furthermore, for β−GeSe, robust band gaps nearly disregarding the applied tensile strain along the zigzag direction is observed. Both monolayer α− and β−GeSe exhibit anisotropic optical absorption in the visible spectrum.
@article{arxiv.1704.03336,
title = {Electronic, transport and optical properties of monolayer $\alpha$ and $\beta-$GeSe: A first-principles study},
author = {Yuanfeng Xu and Hao Zhang and Hezhu Shao and Gang Ni and Hongliang Lu and Rongjun Zhang and Bo Peng and Yongyuan Zhu and Heyuan Zhu},
journal= {arXiv preprint arXiv:1704.03336},
year = {2017}
}