Hydrogenation as a source of superconductivity in two-dimensional TiB2

Hui Wang, Chen Pan, Sheng-Yan Wang, Hong Jiang, Yin-Chang Zhao, Yue-Hua Su, Guo-Hua Zhong and Chao Zhang
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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

International Journal of Modern Physics C (IJMPC), 2021, vol. 32, issue 04, 1-8

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.

Keywords: Phonon-mediated superconductivity; two-dimensional materials; first-principles calculation; strain effect (search for similar items in EconPapers)
Date: 2021
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DOI: 10.1142/S0129183121500571

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