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Tight-binding approach to penta-graphene
Schliemann, John, Beltrán, J. I.
und Stauber, Tobias
(2016)
Tight-binding approach to penta-graphene.
Scientific Reports 6 (22672), S. 1-8.
Veröffentlichungsdatum dieses Volltextes: 04 Apr 2016 13:28
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.33541
Zusammenfassung
We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the pi-orbitals of the sp(2)-hybridized carbon atoms and reproduces the two highest valence bands. By introducing energy-dependent hopping elements, originating from the elimination of the sp(3)-hybridized carbon atoms, also the two lowest conduction bands can be ...
We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the pi-orbitals of the sp(2)-hybridized carbon atoms and reproduces the two highest valence bands. By introducing energy-dependent hopping elements, originating from the elimination of the sp(3)-hybridized carbon atoms, also the two lowest conduction bands can be well approximated - but only after the inclusion of a Hubbard onsite interaction as well as of assisted hopping terms. The eigenfunctions can be approximated analytically for the effective model without energy-dependent hopping elements and the optical absorption is discussed. We find large isotropic absorption ranging from 7.5% up to 24% for transitions at the Gamma-point.
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| Dokumentenart | Artikel | ||||||
| Titel eines Journals oder einer Zeitschrift | Scientific Reports | ||||||
| Verlag: | Nature | ||||||
|---|---|---|---|---|---|---|---|
| Ort der Veröffentlichung: | LONDON | ||||||
| Band: | 6 | ||||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 22672 | ||||||
| Seitenbereich: | S. 1-8 | ||||||
| Datum | 4 März 2016 | ||||||
| Institutionen | Physik > Institut für Theoretische Physik Physik > Institut für Theoretische Physik > Lehrstuhl Professor Grifoni > Arbeitsgruppe John Schliemann | ||||||
| Identifikationsnummer |
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| Stichwörter / Keywords | INITIO MOLECULAR-DYNAMICS; CARBON; SCATTERING; GRAPHITE; MODEL; | ||||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 530 Physik | ||||||
| Status | Veröffentlicht | ||||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||||
| An der Universität Regensburg entstanden | Ja | ||||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-335415 | ||||||
| Dokumenten-ID | 33541 |
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