Localization of π-electron density in twisted bilayer graphene

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Abstract

In bilayer graphene, mutual rotation of layers has strong effect on the electronic structure. We theoretically study the distribution of electron density in twisted bilayer graphene with the rotation angle of 21.8° and find that regions with AA-like and AB-like stacking patterns separately contribute to the interlayer low-energy van Hove singularities. In order to investigate the peculiarities of interlayer coupling, the charge density map between the layers is examined. The presented results reveal localization of π-electrons between carbon atoms belonging to different graphene layers when they have AA-like stacking environment, while the interlayer coupling is stronger within AB-stacked regions. (Figure presented.) Charge density map for bilayer graphene with a layer twist of 21.8° (interlayer region).

Original languageEnglish
Article number1600367
Number of pages4
JournalPhysica Status Solidi - Rapid Research Letters
Volume11
Issue number2
DOIs
Publication statusPublished - 1 Feb 2017

Keywords

  • bilayer graphene
  • density functional theory
  • electron density
  • electronic structure
  • VAN-HOVE SINGULARITIES
  • OPTICAL CONDUCTIVITY

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