Polymorphism in two-dimensional tellurium crystals

POSTER

Abstract

Elemental layered materials have attracted much attention because they exhibit unique physical phenomena and a wide range of electronic properties ranging from metallic and semi-metallic to semiconducting. Recent experimental reports describe the vacuum-deposition-based synthesis and partial characterization of two-dimensional polymorphs of tellurium, dubbed tellurene. In this work, we perform quantum molecular dynamics (QMD) simulations to more thoroughly explore the atomic structure of tellurene. We identify several tellurene polymorphs that are consistent with experimental observations. Furthermore, we find several new tellurene polymorphs, which may be realized under tension.

Presenters

  • Hiroyuki Kumazoe

    Department of Physics, Kumamoto University

Authors

  • Hiroyuki Kumazoe

    Department of Physics, Kumamoto University

  • Aravind Krishnamoorthy

    Physics & Astronomy, University of Southern California, Univ of Southern California, Physics, University of Southern California, University of Southern California

  • Lindsay Bassman

    University of Southern California, Physics, University of Southern California

  • Fuyuki Shimojo

    Physics, Kumamoto University, Kumamoto University, Department of Physics, Kumamoto University

  • Rajiv Kalia

    Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California, Physics, University of Southern California

  • Aiichiro Nakano

    Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Physics, University of Southern California

  • Priya Vashishta

    Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California, Physics, University of Southern California