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Anisotropic High Carrier Mobilities of One-Third-Hydrogenated Group V Elemental Monolayers

ORAL

Abstract

Group-VA elemental monolayers, such as antimonene and bismuthene, are predicted to be wide band gap semiconductors. We employ first principles calculations to investigate the atomic structures and electronic properties of one-third-hydrogenated (OTH) group-VA elemental monolayers, that is, OTH-X (X = As, Sb, or Bi). OTH-X exhibit anisotropic electronic and optical properties, such as carrier mobility and light absorbance. Remarkably, OTH-Bi shows an energy band gap inversion induced by external compression, implying a topological phase transition. Furthermore, the carrier mobilities of OTH-Bi for electron and hole along the zigzag direction are on the order of 105 cm2*Vāˆ’1*s-1 , which is comparable to those of graphene. Our results show that atomically precise functionalization of two-dimensional materials can effectively enhance the intrinsic electrical properties.

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Presenters

  • Wenhan Dong

    Institute of Physics, Chinese Academy of Sciences

Authors

  • Xianli Zhang

    Institute of Physics, Chinese Academy of Sciences, Chinese Academy of Sciences,Institute of Physics

  • Deliang Bao

    Vanderbilt Univ, Institute of Physics, Chinese Academy of Sciences, Department of Physics and Astronomy, Vanderbilt University, Chinese Academy of Sciences,Institute of Physics

  • Wenhan Dong

    Institute of Physics, Chinese Academy of Sciences

  • Jiatao Sun

    School of Information and Electronics, MIIT Key Laboratory for Low-Dimensional Quantum Structure and Devices, Beijing Institute of Technology, Beijing 100081, China, School of Information and Electronics, MIIT Key Laboratory for Low-Dimensional Quantum Structure and Devices, Beijing Institute of Technology

  • Shixuan Du

    Chinese Academy of Sciences,Institute of Physics, Institute of Physics and University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing 100190, China, School of physical sciences, Institute of Physics and University of Chinese Academy of Sciences, Institute of Physics, Chinese Academy of Sciences, Chinese Academy of Science, Chinese Academy of Sciences, Institute of Physics, Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences