Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene
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| Název: | Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene |
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| Autoři: | Räsänen Esa, Akola Jaakko, Nieminen Jouko, Ropo Matti, Paavilainen Sami |
| Zdroj: | Nano Letters. 16:3519-3523 |
| Informace o vydavateli: | American Chemical Society (ACS), 2016. |
| Rok vydání: | 2016 |
| Témata: | ta214, tight binding, ta114, Kagome, 0103 physical sciences, Molecular graphene, 01 natural sciences, density functional theory, Kekulé |
| Popis: | 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 Γ-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. |
| Druh dokumentu: | Article |
| Jazyk: | English |
| ISSN: | 1530-6992 1530-6984 |
| DOI: | 10.1021/acs.nanolett.6b00397 |
| Přístupová URL adresa: | https://pubmed.ncbi.nlm.nih.gov/27176628 http://juuli.fi/Record/0355380816 https://doi.org/10.1021/acs.nanolett.6b00397 http://juuli.fi/Record/0274606316 https://doi.org/10.1021/acs.nanolett.6b00397 https://pubs.acs.org/doi/10.1021/acs.nanolett.6b00397 https://www.ncbi.nlm.nih.gov/pubmed/27176628 https://europepmc.org/abstract/MED/27176628 http://ui.adsabs.harvard.edu/abs/2016NanoL..16.3519P/abstract https://research.aalto.fi/en/publications/coexisting-honeycomb-and-kagome-characteristics-in-the-electronic-band-structure-of-molecular-graphene(5fc1c06d-9132-40a6-9ed0-a068452a2dcf).html http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.6b00397 |
| Přístupové číslo: | edsair.doi.dedup.....ebcb200e6a3bf2cce8e122cfc660f893 |
| Databáze: | OpenAIRE |
Nájsť tento článok vo Web of Science | Abstrakt: | 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 Γ-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. |
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| ISSN: | 15306992 15306984 |
| DOI: | 10.1021/acs.nanolett.6b00397 |