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    Topological Phase Diagrams of Bulk and Monolayer TiS2−xTex

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    Type
    Article
    Authors
    Zhu, Zhiyong
    Cheng, Yingchun cc
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    KAUST Supercomputing Laboratory (KSL)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Supercomputing, Computational Scientists
    Date
    2013-02-12
    Permanent link to this record
    http://hdl.handle.net/10754/315748
    
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    Abstract
    With the use of ab initio calculations, the topological phase diagrams of bulk and monolayer TiS2−xTex are established. Whereas bulk TiS2−xTex shows two strong topological phases [1;(000)] and [1;(001)] for 0.44<x<0.56 and 0.56<x<1, respectively, the monolayer is topologically nontrivial for 0.48<x<0.80. Because in the latter doping range the topologically nontrivial nature survives down to a monolayer, TiS2−xTex is a unique system for studying topological phases in three and two dimensions simultaneously.
    Citation
    Zhu Z, Cheng Y, Schwingenschlögl U (2013) Topological Phase Diagrams of Bulk and Monolayer TiS2-xTex. Physical Review Letters 110. doi:10.1103/PhysRevLett.110.077202.
    Publisher
    American Physical Society (APS)
    Journal
    Physical Review Letters
    DOI
    10.1103/PhysRevLett.110.077202
    PubMed ID
    25166399
    Additional Links
    http://link.aps.org/doi/10.1103/PhysRevLett.110.077202
    ae974a485f413a2113503eed53cd6c53
    10.1103/PhysRevLett.110.077202
    Scopus Count
    Collections
    Articles; KAUST Supercomputing Laboratory (KSL); Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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