Heterostructures of graphene and nitrogenated holey graphene: Moiré pattern and Dirac ring

Jun Kang, Seyda Horzum, and François M. Peeters
Phys. Rev. B 92, 195419 – Published 19 November 2015

Abstract

Nitrogenated holey graphene (NHG) is a recently synthesized two-dimensional material. In this paper the structural and electronic properties of heterostructures of graphene and NHG are investigated using first-principles and tight-binding calculations. Due to the lattice mismatch between NHG and graphene, the formation of a moiré pattern is preferred in the graphene/NHG heterostructure, instead of a lattice-coherent structure. In moiré-patterned graphene/NHG, the band gap opening at the K point is negligible, and the linear band dispersion of graphene survives. Applying an electric field modifies the coupling strength between the two atomic layers. The Fermi velocity vF is reduced as compared to the one of pristine graphene, and its magnitude depends on the twist angle θ between graphene and NHG: For θ=0, vF is 30% of that of graphene, and it increases rapidly to a value of 80% with increasing θ. The heterostructure exhibits electron-hole asymmetry in vF, which is large for small θ. In NHG encapsulated between two graphene layers, a “Dirac ring” appears around the K point. Its presence is robust with respect to the relative stacking of the two graphene layers. These findings can be useful for future applications of graphene/NHG heterostructures.

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  • Received 15 July 2015
  • Revised 16 September 2015

DOI:https://doi.org/10.1103/PhysRevB.92.195419

©2015 American Physical Society

Authors & Affiliations

Jun Kang1,*, Seyda Horzum1,2, and François M. Peeters1

  • 1Department of Physics, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium
  • 2Department of Engineering Physics, Faculty of Engineering, Ankara University, 06100 Ankara, Turkey

  • *jun.kang@uantwerpen.be

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Vol. 92, Iss. 19 — 15 November 2015

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