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Hydrogenation as a source of superconductivity in two-dimensional TiB2
International Journal of Modern Physics C ( IF 1.5 ) Pub Date : 2021-01-08 , DOI: 10.1142/s0129183121500571
Hui Wang 1 , Chen Pan 1 , Sheng-Yan Wang 1 , Hong Jiang 1 , Yin-Chang Zhao 1 , Yue-Hua Su 1 , Guo-Hua Zhong 2, 3 , Chao Zhang 1
Affiliation  

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.

中文翻译:

氢化作为二维 TiB2 中超导性的来源

使用基于密度泛函微扰理论的第一性原理计算,我们证明了单层TiB 2 H 中的氢化诱导的超导性。氢吸附原子破坏了单层TiB 2 的狄拉克状态并且单层TiB 2 H 具有高振动频率。单层 TiB 2 H 是一种声子介导的超导体。单层 TiB 2 H 具有预测的C8 个K,在外部拉伸应变下进一步增加。因此,这项研究扩展了我们对二维 (2D) 材料中的超导性及其潜在应用的理解。
更新日期:2021-01-08
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