Tuning Dirac points by strain in MoX2 nanoribbons (X = S, Se, Te) with a 1T ' structure

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For practical applications of two-dimensional topological insulators, large band gaps and Dirac states within the band gap are desirable because they allow for device operation at room temperature and quantum transport without dissipation. Based on first-principles density functional calculations, we report the tunability of the electronic structure by strain engineering in quasi-one-dimensional nanoribbons of transition metal dichalcogenides with a 1T' structure, MoX2 with X = (S, Se, Te). We find that both the band gaps and Dirac points in 1T'-MoX2 can be engineered by applying an external strain, thereby leading to a single Dirac cone within the bulk band gap. Considering the gap size and the location of the Dirac point, we suggest that, among 1T'-MoX2 nanoribbons, MoSe2 is the most suitable candidate for quantum spin Hall (QSH) devices
Publisher
ROYAL SOC CHEMISTRY
Issue Date
2016-06
Language
English
Article Type
Article
Keywords

TOPOLOGICAL PHASE-TRANSITION; AUGMENTED-WAVE METHOD; HGTE QUANTUM-WELLS; INSULATOR BI2SE3; ELECTRIC-FIELD; FERMI-LEVEL

Citation

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.18, no.24, pp.16361 - 16366

ISSN
1463-9076
DOI
10.1039/c6cp02204a
URI
http://hdl.handle.net/10203/212926
Appears in Collection
PH-Journal Papers(저널논문)
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