First-principles study on the electronic, optical, and transport properties of monolayer α- and β-GeSe

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dc.contributor.author Xu, Yuanfeng
dc.contributor.author Zhang, Hao
dc.contributor.author Shao, Hezhu
dc.contributor.author Ni, Gang
dc.contributor.author Li, Jing
dc.contributor.author Lu, Hongliang
dc.contributor.author Zhang, Rongjun
dc.contributor.author Peng, Bo
dc.contributor.author Zhu, Yongyuan
dc.contributor.author Zhu, Heyuan
dc.contributor.author Soukoulis, Costas
dc.contributor.department Ames Laboratory
dc.contributor.department Physics and Astronomy
dc.date 2018-05-02T04:06:52.000
dc.date.accessioned 2020-06-29T23:20:58Z
dc.date.available 2020-06-29T23:20:58Z
dc.date.issued 2017-12-15
dc.description.abstract <p>The extraordinary properties and the novel applications of black phosphorene induce the research interest in the monolayer group-IV monochalcogenides. Here using first-principles calculations, we systematically investigate the electronic, transport, and optical properties of monolayer alpha- and beta-GeSe, revealing a direct band gap of 1.61 eV for monolayer alpha-GeSe and an indirect band gap of 2.47 eV for monolayer beta-GeSe. For monolayer beta-GeSe, the electronic/hole transport is anisotropic, with an extremely high electron mobility of 2.93 x 10(4) cm(2)/Vs along the armchair direction, comparable to that of black phosphorene. Furthermore, for beta-GeSe, robust band gaps nearly independent of the applied tensile strain along the armchair direction are observed. Both monolayer aand beta-GeSe exhibit anisotropic optical absorption in the visible spectrum.</p>
dc.identifier archive/lib.dr.iastate.edu/ameslab_manuscripts/159/
dc.identifier.articleid 1156
dc.identifier.contextkey 12025207
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath ameslab_manuscripts/159
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/7077
dc.language.iso en
dc.relation.ispartofseries IS-J 9546
dc.source.bitstream archive/lib.dr.iastate.edu/ameslab_manuscripts/159/IS_J_9546.pdf|||Fri Jan 14 20:48:22 UTC 2022
dc.source.uri 10.1103/PhysRevB.96.245421
dc.subject.disciplines Condensed Matter Physics
dc.subject.disciplines Physics
dc.title First-principles study on the electronic, optical, and transport properties of monolayer α- and β-GeSe
dc.type article
dc.type.genre article
dspace.entity.type Publication
relation.isOrgUnitOfPublication 25913818-6714-4be5-89a6-f70c8facdf7e
relation.isOrgUnitOfPublication 4a05cd4d-8749-4cff-96b1-32eca381d930
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