Electronic, transport and optical properties of monolayer $\alpha$ and $\beta-$GeSe: A first-principles study
| Autor: | Xu, Yuanfeng, Zhang, Hao, Shao, Hezhu, Ni, Gang, Lu, Hongliang, Zhang, Rongjun, Peng, Bo, Zhu, Yongyuan, Zhu, Heyuan |
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| Rok vydání: | 2017 |
| Předmět: | |
| Zdroj: | Phys. Rev. B 96, 245421 (2017) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevB.96.245421 |
| Popis: | 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 $\alpha-$ and $\beta-$GeSe, the latter of which was recently experimentally realized. We found that, monolayer $\alpha-$GeSe is a semiconductor with direct band gap of 1.6 eV, and $\beta-$GeSe displays indirect semiconductor with the gap of 2.47 eV, respectively. For monolayer $\beta-$GeSe, the electronic/hole transport is anisotropic with an extremely high electron mobility of 7.84 $\times10^4$$cm^2/V\cdot {s}$ along the zigzag direction, comparable to that of black phosphorene. Furthermore, for $\beta-$GeSe, robust band gaps nearly disregarding the applied tensile strain along the zigzag direction is observed. Both monolayer $\alpha-$ and $\beta-$GeSe exhibit anisotropic optical absorption in the visible spectrum. Comment: 17 pages, 5 figures |
| Databáze: | arXiv |
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