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Localization of π‐electron density in twisted bilayer graphene
Author(s) -
Sedelnikova Olga V.,
Bulusheva Lyubov G.,
Okotrub Alexander V.
Publication year - 2017
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.201600367
Subject(s) - bilayer graphene , stacking , graphene , condensed matter physics , bilayer , charge density , materials science , electron , density of states , coupling (piping) , electron density , twist , nanotechnology , chemistry , physics , geometry , nuclear magnetic resonance , membrane , quantum mechanics , metallurgy , mathematics , biochemistry
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.Charge density map for bilayer graphene with a layer twist of 21.8° (interlayer region).