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