Pressure-Dependent Optical and Vibrational Properties of Monolayer Molybdenum Disulfide

ORAL

Abstract

Controlling the band gap by tuning the lattice structure through pressure engineering is a relatively new route for tailoring the optoelectronic properties of two dimensional (2D) materials. Here we investigate the electronic and lattice vibrational dynamics of the distorted monolayer 1T-MoS$_{\mathrm{2}}$ (1T') and the monolayer 2H-MoS$_{\mathrm{2}}$ \textit{via} a diamond anvil cell (DAC) and density functional theory (DFT) calculations. The direct optical band gap of the monolayer 2H-MoS$_{\mathrm{2}}$ increases by 11.7{\%} from 1.85 eV to 2.08 eV, which is the highest reported for a 2D transition metal dichalcogenide (TMD) material.

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Authors

  • Avinash Nayak

    • UT Austin

  • Tribhuwan Pandey

    • Materials Research Center, Indian Institute of Science, Bangalore, 560-012, India

  • Damien Voiry

    • Department of Materials Science and Engineering, Rutgers University

  • Jin Liu

    • Department of Geological Sciences, The University Of Texas at Austin

  • Samuel Moran

    • UT Austin

  • Ankit Sharma

    • UT Austin

  • Cheng Tan

    • UT Austin

  • Chang-Hsiao Chen

    • Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei, 10617, Taiwan

  • Lain-Jong Li

    • IAMS, Academia Sinica ; KAUST
    • King Abdullah University of Science
    • Physical Science and Engineering Division, King Abdullah University of Science \& Technology (KAUST), Thuwal 23955, Saudi Arabia

  • Manish Chhowalla

    • Department of Materials Science and Engineering, Rutgers University

  • Jung-Fu Lin

    • Department of Geological Sciences, The University of Texas at Austin, Austin, TX 78712
    • Department of Geological Sciences, The University Of Texas at Austin

  • Abhishek Singh

    • Materials Research Center, Indian Institute of Science, Bangalore, 560-012, India

  • Deji Akinwande

    • Microelectronics Research Center, The University of Texas at Austin, Texas 78758, USA
    • The University of Texas at Austin
    • Univ of Texas, Austin
    • Department of Electrical and Computer Engineering, The University of Texas at Austin, TX 78712
    • UT Austin