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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 journalArticlepeer-review

Harvard

Sedelnikova, OV, Bulusheva, LG & Okotrub, AV 2017, 'Localization of π-electron density in twisted bilayer graphene', Physica Status Solidi - Rapid Research Letters, vol. 11, no. 2, 1600367. https://doi.org/10.1002/pssr.201600367

APA

Sedelnikova, O. V., Bulusheva, L. G., & Okotrub, A. V. (2017). Localization of π-electron density in twisted bilayer graphene. Physica Status Solidi - Rapid Research Letters, 11(2), [1600367]. https://doi.org/10.1002/pssr.201600367

Vancouver

Sedelnikova OV, Bulusheva LG, Okotrub AV. Localization of π-electron density in twisted bilayer graphene. Physica Status Solidi - Rapid Research Letters. 2017 Feb 1;11(2):1600367. doi: 10.1002/pssr.201600367

Author

Sedelnikova, Olga V. ; Bulusheva, Lyubov G. ; Okotrub, Alexander V. / Localization of π-electron density in twisted bilayer graphene. In: Physica Status Solidi - Rapid Research Letters. 2017 ; Vol. 11, No. 2.

BibTeX

@article{e3d397dc24df45caba7a2d806334335f,
title = "Localization of π-electron density in twisted bilayer graphene",
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).",
keywords = "bilayer graphene, density functional theory, electron density, electronic structure, VAN-HOVE SINGULARITIES, OPTICAL CONDUCTIVITY",
author = "Sedelnikova, {Olga V.} and Bulusheva, {Lyubov G.} and Okotrub, {Alexander V.}",
year = "2017",
month = feb,
day = "1",
doi = "10.1002/pssr.201600367",
language = "English",
volume = "11",
journal = "Physica Status Solidi - Rapid Research Letters",
issn = "1862-6254",
publisher = "Wiley-VCH Verlag",
number = "2",

}

RIS

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