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    First-principles prediction of Tl/SiC for valleytronics

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    Type
    Article
    Authors
    Xu, Zhen
    Zhang, Qingyun
    Shen, Qian cc
    Cheng, Yingchun cc
    Schwingenschlögl, Udo cc
    Huang, Wei cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2017
    Permanent link to this record
    http://hdl.handle.net/10754/626016
    
    Metadata
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    Abstract
    Recently, monolayer Tl on a Si or Ge substrate has been proposed for potential valleytronic systems. However, the band gaps of these systems are less than 0.1 eV, which is too small to be applied because an electric field or magnetic doping will reduce the band gaps further for the systems to become metallic. Here, we investigate SiC as an alternative substrate. By first-principles calculations we demonstrate that monolayer Tl can be grown on SiC. There are two valleys around the K/K′ points and the Berry curvature shows that the two valleys are inequivalent, indicating valley pseudospin. Moreover, due to the larger band gap of SiC (3.3 eV), the band gap of the Tl/SiC system is 0.6 eV, which is large enough for valley manipulation. Furthermore, we demonstrate that Cr doping can achieve valley polarization. Our study shows that the Tl/SiC system is promising for valleytronic applications.
    Citation
    Xu Z, Zhang Q, Shen Q, Cheng Y, Schwingenschlögl U, et al. (2017) First-principles prediction of Tl/SiC for valleytronics. J Mater Chem C 5: 10427–10433. Available: http://dx.doi.org/10.1039/c7tc03799f.
    Sponsors
    This work was financially supported by the National Natural Science Foundation of China (No. 11504169, 61575094 and 21673118), the National Basic Research Program of China (2015CB932200) and the Jiangsu Qing Lan Project, the Natural Science Foundation of the Higher Education Institutions of Jiangsu Province, China (16KJB150018). The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
    Publisher
    Royal Society of Chemistry (RSC)
    Journal
    J. Mater. Chem. C
    DOI
    10.1039/c7tc03799f
    Additional Links
    http://pubs.rsc.org/en/Content/ArticleLanding/2017/TC/C7TC03799F#!divAbstract
    ae974a485f413a2113503eed53cd6c53
    10.1039/c7tc03799f
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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