Electronic, optical and transport properties of van der Waals Transition-metal Dichalcogenides Heterostructures: A First-principle Study

@article{Xu2018ElectronicOA,
  title={Electronic, optical and transport properties of van der Waals Transition-metal Dichalcogenides Heterostructures: A First-principle Study},
  author={K. Xu and Yuanfeng Xu and H. Zhang and Bo Peng and H. Shao and G. Ni and J. Li and M. Yao and H. Lu and Heyuan Zhu and C. Soukoulis},
  journal={arXiv: Materials Science},
  year={2018}
}
Two-dimensional (2D) transition-metal dichalcogenide (TMD) MX$_2$ (M = Mo, W; X= S, Se, Te) possess unique properties and novel applications. In this work, we perform first-principles calculations on the van der Waals (vdW) stacked MX$_2$ heterostructures to investigate their electronic, optical and transport properties systematically. We perform the so-called Anderson's rule to classify the heterostructures by providing the scheme of the construction of energy band diagrams for the… Expand
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