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作者刘婧,马亚强,戴雅薇,陈炀,李依,唐亚楠,戴宪起（2019）在《Electronic properties of size-dependent MoTe2/WTe2heterostructure》一文中研究指出：Lateral two-dimensional（2D） heterostructures have opened up unprecedented opportunities in modern electronic device and material science. In this work, electronic properties of size-dependent MoTe2/WTe2 lateral heterostructures（LHSs）are investigated through the first-principles density functional calculations. The constructed periodic multi-interfaces patterns can also be defined as superlattice structures. Consequently, the direct band gap character remains in all considered LHSs without any external modulation, while the gap size changes within little difference range with the building blocks increasing due to the perfect lattice matching. The location of the conduction band minimum（CBM） and the valence band maximum（VBM） will change from P-point to Γ-point when m plus n is a multiple of 3 for A-mn LHSs as a result of Brillouin zone folding. The bandgap located at high symmetry Γ-point is favourable to electron transition, which might be useful to optoelectronic device and could be achieved by band engineering. Type-II band alignment occurs in the MoTe2/WTe2 LHSs, for electrons and holes are separated on the opposite domains, which would reduce the recombination rate of the charge carriers and facilitate the quantum efficiency. Moreover, external biaxial strain leads to efficient bandgap engineering. MoTe2/WTe2 LHSs could serve as potential candidate materials for next-generation electronic devices.
Abstract
Lateral two-dimensional（2D） heterostructures have opened up unprecedented opportunities in modern electronic device and material science. In this work, electronic properties of size-dependent MoTe2/WTe2 lateral heterostructures（LHSs）are investigated through the first-principles density functional calculations. The constructed periodic multi-interfaces patterns can also be defined as superlattice structures. Consequently, the direct band gap character remains in all considered LHSs without any external modulation, while the gap size changes within little difference range with the building blocks increasing due to the perfect lattice matching. The location of the conduction band minimum（CBM） and the valence band maximum（VBM） will change from P-point to Γ-point when m plus n is a multiple of 3 for A-mn LHSs as a result of Brillouin zone folding. The bandgap located at high symmetry Γ-point is favourable to electron transition, which might be useful to optoelectronic device and could be achieved by band engineering. Type-II band alignment occurs in the MoTe2/WTe2 LHSs, for electrons and holes are separated on the opposite domains, which would reduce the recombination rate of the charge carriers and facilitate the quantum efficiency. Moreover, external biaxial strain leads to efficient bandgap engineering. MoTe2/WTe2 LHSs could serve as potential candidate materials for next-generation electronic devices.
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论文作者分别是来自Chinese Physics B的刘婧,马亚强,戴雅薇,陈炀,李依,唐亚楠,戴宪起，发表于刊物Chinese Physics B2019年10期论文，是一篇关于,Chinese Physics B2019年10期论文的文章。本文可供学术参考使用，各位学者可以免费参考阅读下载，文章观点不代表本站观点，资料来自Chinese Physics B2019年10期论文网站，若本站收录的文献无意侵犯了您的著作版权，请联系我们删除。