Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene

Tutkimustuotos: Lehtiartikkeli

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Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene. / Paavilainen, Sami; Ropo, Matti; Nieminen, Jouko; Akola, Jaakko; Räsänen, Esa.

julkaisussa: Nano Letters, Vuosikerta 16, Nro 6, 08.06.2016, s. 3519-3523.

Tutkimustuotos: Lehtiartikkeli

Harvard

Paavilainen, S, Ropo, M, Nieminen, J, Akola, J & Räsänen, E 2016, 'Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene', Nano Letters, Vuosikerta. 16, Nro 6, Sivut 3519-3523. https://doi.org/10.1021/acs.nanolett.6b00397

APA

Vancouver

Author

Paavilainen, Sami ; Ropo, Matti ; Nieminen, Jouko ; Akola, Jaakko ; Räsänen, Esa. / Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene. Julkaisussa: Nano Letters. 2016 ; Vuosikerta 16, Nro 6. Sivut 3519-3523.

Bibtex - Lataa

@article{5fc1c06d913240a69ed0a068452a2dcf,
title = "Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene",
abstract = "We uncover the electronic structure of molecular graphene produced by adsorbed CO molecules on a copper (111) surface by means of first-principles calculations. Our results show that the band structure is fundamentally different from that of conventional graphene, and the unique features of the electronic states arise from coexisting honeycomb and Kagome symmetries. Furthermore, the Dirac cone does not appear at the K-point but at the Δ-point in the reciprocal space and is accompanied by a third, almost flat band. Calculations of the surface structure with Kekul{\'e} distortion show a gap opening at the Dirac point in agreement with experiments. Simple tight-binding models are used to support the first-principles results and to explain the physical characteristics behind the electronic band structures.",
keywords = "density functional theory, Kagome, Kekul{\'e}, Molecular graphene, tight binding",
author = "Sami Paavilainen and Matti Ropo and Jouko Nieminen and Jaakko Akola and Esa R{\"a}s{\"a}nen",
year = "2016",
month = "6",
day = "8",
doi = "10.1021/acs.nanolett.6b00397",
language = "English",
volume = "16",
pages = "3519--3523",
journal = "Nano Letters",
issn = "1530-6984",
publisher = "AMERICAN CHEMICAL SOCIETY",
number = "6",

}

RIS - Lataa

TY - JOUR

T1 - Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene

AU - Paavilainen, Sami

AU - Ropo, Matti

AU - Nieminen, Jouko

AU - Akola, Jaakko

AU - Räsänen, Esa

PY - 2016/6/8

Y1 - 2016/6/8

N2 - We uncover the electronic structure of molecular graphene produced by adsorbed CO molecules on a copper (111) surface by means of first-principles calculations. Our results show that the band structure is fundamentally different from that of conventional graphene, and the unique features of the electronic states arise from coexisting honeycomb and Kagome symmetries. Furthermore, the Dirac cone does not appear at the K-point but at the Δ-point in the reciprocal space and is accompanied by a third, almost flat band. Calculations of the surface structure with Kekulé distortion show a gap opening at the Dirac point in agreement with experiments. Simple tight-binding models are used to support the first-principles results and to explain the physical characteristics behind the electronic band structures.

AB - We uncover the electronic structure of molecular graphene produced by adsorbed CO molecules on a copper (111) surface by means of first-principles calculations. Our results show that the band structure is fundamentally different from that of conventional graphene, and the unique features of the electronic states arise from coexisting honeycomb and Kagome symmetries. Furthermore, the Dirac cone does not appear at the K-point but at the Δ-point in the reciprocal space and is accompanied by a third, almost flat band. Calculations of the surface structure with Kekulé distortion show a gap opening at the Dirac point in agreement with experiments. Simple tight-binding models are used to support the first-principles results and to explain the physical characteristics behind the electronic band structures.

KW - density functional theory

KW - Kagome

KW - Kekulé

KW - Molecular graphene

KW - tight binding

UR - http://www.scopus.com/inward/record.url?scp=84974831405&partnerID=8YFLogxK

U2 - 10.1021/acs.nanolett.6b00397

DO - 10.1021/acs.nanolett.6b00397

M3 - Article

VL - 16

SP - 3519

EP - 3523

JO - Nano Letters

JF - Nano Letters

SN - 1530-6984

IS - 6

ER -

ID: 6471898