Tunable band gaps in stanene/MoS 2 heterostructures

Journal of Materials Science(2017)

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摘要
First-principles calculations have been performed to investigate the geometric and electronic properties of stanene layer paired with monolayer MoS 2 substrate with van der Waals corrections. It is found that the stanene can absorb on the monolayer MoS 2 substrate forming stanene/MoS 2 heterostructures, indicating a weak interface interaction. The Dirac point of stanene is still preserved on MoS 2 substrate, and the band gap is opened about 67 meV due to the influence of the substrate. Moreover, the band gap is able to be effectively modulated under an external strain and a perpendicular electric field. These results are helpful for exploring the tunability of the electronic properties of stanene absorbed on semiconducting substrate.
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关键词
MoS2,Bi2Te3,Local Density Approximation,Dirac Point,MoS2 Monolayer
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