Crystal growth, electronic structure and optical properties of BaZrS<sub>3</sub> and its Ruddlesden-Popper phases

ORAL

Abstract

Transition metal perovskite chalcogenides (TMPCs) are a new class of semiconductors with d0 configuration. The less electronegative chalcogen, compared to oxides, lead to reduced band gap, more covalent bonding, and other interesting physical properties. We report the crystal growth and physical property study of BaZrS3, Ba3Zr2S7 and Ba2ZrS4. Photoluminescence (PL) measurements were performed to study the optical properties. Scanning Kelvin probe microscopy and Hall measurements were carried out to study the electronic structure and transport phenomena. Optical band gap of 1.82, 1.28 and 1.33 eV for BaZrS3, Ba3Zr2S7, and Ba2ZrS4, respectively, were extracted from PL. Such band gap evolution trend is different from that observed in oxide and halide counterparts. Potential effect of octahedra tilting and Zr-S covalent bonding in determining the electronic structure were explored. External luminescence efficiency up to 0.2% and effective minority carrier lifetime longer than 65 ns in Ba3Zr2S7 was also obtained by quantitative and time-resolved PL, respectively.
Reference:
1. S. Niu, et al. Chem. Mater. 30(15), 4882 (2018).
2. S. Niu, et al. Nat. Photon. 12(7), 392 (2018).
3. S. Niu, et al. Adv. Mater. 29(9), 1604733 (2017).

*Link Energy Fellowship, APS FIP Distinguished Student program

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Presenters

  • Shanyuan Niu

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

Authors

  • Shanyuan Niu

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

  • Kristopher Williams

    • Department of Chemical Engineering, Massachusetts Institute of Technology
    • Massachusetts Institute of Technology

  • Wei Li

    • Department of Materials Science and Engineering, University of Delaware

  • Debarghya Sarkar

    • Ming Hsieh Department of Electrical Engineering, University of Southern California

  • Fei Hou

    • School of Materials Science and Engineering, University of New South Wales

  • Boyang Zhao

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

  • Kevin Ye

    • Department of Materials Science and Engineering, Massachusetts Institute of Technology

  • Elisabeth Bianco

    • Materials and Manufacturing Directorate, Air Force Research Laboratory

  • Michael E McConney

    • Materials and Manufacturing Directorate, Air Force Research Laboratory

  • Ralf Haiges

    • Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California

  • David Singh

    • University of Missouri
    • Physics, University of Missouri
    • University of Missouri-Columbia
    • University of missouri
    • Department of Physics and Astronomy, University of Missouri

  • Jan Seidel

    • School of Materials Science and Engineering, University of New South Wales

  • Rafael Jaramillo

    • Massachusetts Institute of Technology
    • Department of Materials Science and Engineering, Massachusetts Institute of Technology

  • Rehan Kapadia

    • Ming Hsieh Department of Electrical Engineering, University of Southern California

  • William A Tisdale

    • Chemical Engineering, Massachusetts Institute of Technology (MIT)
    • Department of Chemical Engineering, Massachusetts Institute of Technology
    • Massachusetts Institute of Technology

  • Anderson Janotti

    • Department of Material science and Engineering, University of Delaware
    • Department of Physics & Astronomy, University of Delaware
    • Materials Science and Engineering, University of Delaware
    • University of Delaware
    • Department of Materials Science & Engineering, University of Delaware
    • Department of Materials Science and Engineering, University of Delaware

  • 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