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).

*This work was supported by NSF DMR-1806147.

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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