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.

*The National Natural Science Foundation of China (grant nos.11974045, 51922011, and 61888102), the National Key Research & Development Projects of China (grant nos.2016YFA0202300 and 2019YFA0308500), the Strategic Priority Research Program of the Chinese Academy of Sciences (grant no.XDB30000000) and the Beijing Institute of Technology Research Fund Program for Young Scholars (grant no.3050011181909)

ā€“

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