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    题名: Magnetic and topological properties in hydrogenated transition metal dichalcogenide monolayers
    作者: Feng, Liang-Ying;Villaos, Rovi Angelo B.;Cruzado, Harvey N.;Huang, Zhi-Quan;Hsu, Chia-Hsiu;Hsueh, Hung-Chung;Lin, Hsin;Chuang, Feng-Chuan
    日期: 2020-08
    上传时间: 2020-07-20 12:10:14 (UTC+8)
    出版者: Zhonghua Minguo Wuli Xuehui,Physical Society of the Republic of China
    摘要: Two-dimensional (2D) transition metal dichalcogenide (TMD) monolayers have currently been of immense interest in materials research because of their versatility, and tunable electronic and magnetic properties. In this study, we systematically studied the electronic and magnetic properties in pristine and hydrogenated 1T, 1T’, and 2H TMD monolayers. We found Group IV (Ti, Zr, and Hf), VI (Cr, Mo, and W), and X (Ni, Pd, and Pt) pristine TMD monolayers, respectively, mostly adopted 1T, 2H, and 1T as their stable structures, except for WTe2 which exhibits 1T’. The stable 1T’ structure only exists for pristine WTe2 and it had been identified as a topological insulator with a band gap of 0.11 eV. Upon hydrogenation, a structural phase transition occurred from 1T to 2H in Group IV, while for Group X, the stable structure remained 1T. For Group VI, the stable phase transitioned from 1T to 2H or 1T’ phases. Moreover, we found nineteen 2D magnetic materials through hydrogenation. Finally, further exploration of band topologies under hybrid functional calculations revealed that four of these identified magnetic monolayer structures exhibit quantum anomalous Hall effect. Our findings show that hydrogenated TMDs provide a new ground in searching for materials which have the potential for spintronics applications.
    關聯: Chinese Journal of Physics 66, p.15-23
    DOI: 10.1016/j.cjph.2020.03.018
    显示于类别:[物理學系暨研究所] 期刊論文


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