Research output: Contribution to journal › Article › peer-review
Localization of π-electron density in twisted bilayer graphene. / Sedelnikova, Olga V.; Bulusheva, Lyubov G.; Okotrub, Alexander V.
In: Physica Status Solidi - Rapid Research Letters, Vol. 11, No. 2, 1600367, 01.02.2017.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Localization of π-electron density in twisted bilayer graphene
AU - Sedelnikova, Olga V.
AU - Bulusheva, Lyubov G.
AU - Okotrub, Alexander V.
PY - 2017/2/1
Y1 - 2017/2/1
N2 - 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).
AB - 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).
KW - bilayer graphene
KW - density functional theory
KW - electron density
KW - electronic structure
KW - VAN-HOVE SINGULARITIES
KW - OPTICAL CONDUCTIVITY
UR - http://www.scopus.com/inward/record.url?scp=85008261077&partnerID=8YFLogxK
U2 - 10.1002/pssr.201600367
DO - 10.1002/pssr.201600367
M3 - Article
AN - SCOPUS:85008261077
VL - 11
JO - Physica Status Solidi - Rapid Research Letters
JF - Physica Status Solidi - Rapid Research Letters
SN - 1862-6254
IS - 2
M1 - 1600367
ER -
ID: 10316346