Interlayer coupling in commensurate and incommensurate bilayer structures of transition-metal dichalcogenides

Yong Wang, Zhan Wang, Wang Yao, Gui-Bin Liu, and Hongyi Yu
Phys. Rev. B 95, 115429 – Published 24 March 2017

Abstract

The interlayer couplings in commensurate and incommensurate bilayer structures of transition-metal dichalcogenides are investigated with perturbative treatment. The interlayer coupling in ±K valleys can be decomposed into a series of hopping terms with distinct phase factors. In H-type and R-type commensurate bilayers, the interference between the three main hopping terms leads to a sensitive dependence of the interlayer coupling strength on the translation that can explain the position dependent local band gap modulation in a heterobilayer moiré superlattice. The interlayer couplings in the Γ valley of valence band and Q valley of conduction band are also studied, where the strong coupling strengths of several hundred meV can play important roles in mediating the ultrafast interlayer charge transfer in heterobilayers of transition-metal dichalcogenides.

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  • Received 2 November 2016
  • Revised 16 February 2017

DOI:https://doi.org/10.1103/PhysRevB.95.115429

©2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Yong Wang1,2, Zhan Wang1, Wang Yao2, Gui-Bin Liu3,*, and Hongyi Yu2,†

  • 1School of Physics, Nankai University, Tianjin 300071, China
  • 2Department of Physics and Center of Theoretical and Computational Physics, The University of Hong Kong, Hong Kong, China
  • 3School of Physics, Beijing Institute of Technology, Beijing 100081, China

  • *gbliu@bit.edu.cn
  • yuhongyi@hku.hk

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Issue

Vol. 95, Iss. 11 — 15 March 2017

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