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Hydrogenation as a source of superconductivity in two-dimensional TiB2

Author

Listed:
  • Hui Wang

    (Department of Physics, Yantai University, Yantai 264005, P. R. China)

  • Chen Pan

    (Department of Physics, Yantai University, Yantai 264005, P. R. China)

  • Sheng-Yan Wang

    (Department of Physics, Yantai University, Yantai 264005, P. R. China)

  • Hong Jiang

    (Department of Physics, Yantai University, Yantai 264005, P. R. China)

  • Yin-Chang Zhao

    (Department of Physics, Yantai University, Yantai 264005, P. R. China)

  • Yue-Hua Su

    (Department of Physics, Yantai University, Yantai 264005, P. R. China)

  • Guo-Hua Zhong

    (Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, P. R. China3University of Chinese Academy of Sciences, Beijing 100049, P. R. China)

  • Chao Zhang

    (Department of Physics, Yantai University, Yantai 264005, P. R. China)

Abstract

Using first-principles calculations based on density functional perturbation theory, we demonstrate hydrogenation-induced superconductivity in monolayer TiB2H. Hydrogen adatoms destroy the Dirac state of monolayer TiB2 and monolayer TiB2H has a high vibration frequency. Monolayer TiB2H is a phonon-mediated superconductor. Monolayer TiB2H has a predicted Tc of 8K, which further increases under external tensile strain. Thus, this study extends our understanding of superconductivity in two-dimensional (2D) materials and its potential applications.

Suggested Citation

  • Hui Wang & Chen Pan & Sheng-Yan Wang & Hong Jiang & Yin-Chang Zhao & Yue-Hua Su & Guo-Hua Zhong & Chao Zhang, 2021. "Hydrogenation as a source of superconductivity in two-dimensional TiB2," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 32(04), pages 1-8, April.
    • Handle: RePEc:wsi:ijmpcx:v:32:y:2021:i:04:n:s0129183121500571
    DOI: 10.1142/S0129183121500571
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