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Origins of giant optical anisotropy in quasi-one-dimensional transition metal chalcogenides

ORAL

Abstract

Hexagonal perovskite sulfides, such as BaTiS3, with one-dimensional chains of face-sharing TiS6 octahedral units show giant optical anisotropy [1]. Here, we present results of a joint theoretical and experimental investigation of the role of structure and composition on the electronic and optical properties of BaTiS3 and Sr1+xTiS3. Using first-principles calculations, we predict several phase transitions driven by soft phonon modes in BaTiS3, and study the optical anisotropy among these phases. In Sr1+xTiS3, we reveal the effect of non-stoichiometry on the crystal structure, electronic and optical properties. Our experimental studies on structural and optical properties of these materials support our theoretical results. This work will provide guidelines for designing materials with giant optical anisotropy.

[1] S. Niu et al., Nature Photonics 12, 392 (2018).

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Presenters

  • Guodong Ren

    Institute of Materials Science and Engineering, Washington University in St. Louis

Authors

  • Guodong Ren

    Institute of Materials Science and Engineering, Washington University in St. Louis

  • Boyang Zhao

    University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, University of Southern California

  • Arashdeep Thind

    Institute of Materials Science & Engineering, Washington University in St. Louis, Institute of Materials Science and Engineering, Washington University in St. Louis, Institute of Materials Science & Engineering, Washington University, St. Louis

  • Jad Salman

    Department of Electrical and Computer Engineering, University of Wisconsin–Madison

  • Nan Wang

    Ming Hsieh Department of Electrical and Computer Engineering, University of Southern California

  • Tengfei Cao

    Institute of Materials Science and Engineering, Washington University in St. Louis

  • John Cavin

    Washington University, St. Louis, Department of Physics, Washington University in St. Louis

  • Han Wang

    Ming Hsieh Department of Electrical and Computer Engineering, University of Southern California

  • Mikhail Kats

    Department of Electrical and Computer Engineering, University of Wisconsin–Madison

  • Jayakanth Ravichandran

    Mork Family Department of Chemical Engineering and Materials Science, University of Southern California, Department of Chemical Engineering and Materials Science, University of Southern California

  • Rohan Mishra

    Department of Mechanical Engineering & Materials Science, Washington University in St. Louis, Institute of Materials Science & Engineering, Department of Mechanical Engineering & Materials Science, Washington University in St. Louis, Washington University, St. Louis, Institute of Materials Science and Engineering, Washington University in St. Louis, Institute of Materials Science & Engineering, Washington University, St. Louis