Giant valley drifts in uniaxially strained monolayerMoS2 | Zendy

Qingyun Zhang | Zendy; Yingchun Cheng | Zendy; LiYong Gan | Zendy; Udo Schwingenschlögl | Zendy

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Giant valley drifts in uniaxially strained monolayerMoS2

Author(s) -

Qingyun Zhang,

Yingchun Cheng,

LiYong Gan,

Udo Schwingenschlögl

Publication year - 2013

Publication title -

physical review b

Language(s) - English

Resource type - Journals

eISSN - 1538-4489

pISSN - 1098-0121

DOI - 10.1103/physrevb.88.245447

Subject(s) - brillouin zone , condensed matter physics , band gap , point reflection , monolayer , valence (chemistry) , semiconductor , materials science , physics , coupling (piping) , electronic band structure , crystallography , nanotechnology , quantum mechanics , chemistry , optoelectronics , metallurgy

Using first-principles calculations, we study the electronic structure of monolayer MoS2 under uniaxial strain. We show that the energy valleys drift far off the corners of the Brillouin zone (K points), about 12 times the amount observed in graphene. Therefore, it is essential to take this effect into consideration for a correct identification of the band gap. The system remains a direct band gap semiconductor up to 4% uniaxial strain, while the size of the band gap decreases from 1.73 to 1.54 eV. We also demonstrate that the splitting of the valence bands due to inversion symmetry breaking and spin-orbit coupling is not sensitive to strain

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