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Tight-binding theory of the spin-orbit coupling in graphene
Konschuh, Sergej, Gmitra, Martin
und Fabian, Jaroslav
(2010)
Tight-binding theory of the spin-orbit coupling in graphene.
Physical Review B (PRB) 82 (24), S. 245412.
Veröffentlichungsdatum dieses Volltextes: 06 Dez 2011 06:56
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.22864
Zusammenfassung
The spin-orbit coupling in graphene induces spectral gaps at the high-symmetry points. The relevant gap at the Gamma point is similar to the splitting of the p orbitals in the carbon atom, being roughly 8.5 meV. The splitting at the K point is orders of magnitude smaller. Earlier tight-binding theories indicated the value of this intrinsic gap of 1 mu eV, based on the sigma-pi coupling. ...
The spin-orbit coupling in graphene induces spectral gaps at the high-symmetry points. The relevant gap at the Gamma point is similar to the splitting of the p orbitals in the carbon atom, being roughly 8.5 meV. The splitting at the K point is orders of magnitude smaller. Earlier tight-binding theories indicated the value of this intrinsic gap of 1 mu eV, based on the sigma-pi coupling. All-electron first-principles calculations give much higher values, between 25 and 50 mu eV, due to the presence of the orbitals of the d symmetry in the Bloch states at K. A realistic multiband tight-binding model is presented to explain the effects the d orbitals play in the spin-orbit coupling at K. The pi-sigma coupling is found irrelevant to the value of the intrinsic spin-orbit-induced gap. On the other hand, the extrinsic spin-orbit coupling (of the Bychkov-Rashba type), appearing in the presence of a transverse electric field, is dominated by the pi-sigma hybridization, in agreement with previous theories. Tight-binding parameters are obtained by fitting to first-principles calculations, which also provide qualitative support for the model when considering the trends in the spin-orbit-induced gap in graphene under strain. Finally, an effective single-orbital next-nearest-neighbor hopping model accounting for the spin-orbit effects is derived.
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Details
| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Physical Review B (PRB) | ||||
| Verlag: | AMER PHYSICAL SOC | ||||
|---|---|---|---|---|---|
| Ort der Veröffentlichung: | COLLEGE PK | ||||
| Band: | 82 | ||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 24 | ||||
| Seitenbereich: | S. 245412 | ||||
| Datum | Dezember 2010 | ||||
| Institutionen | Physik > Institut für Theoretische Physik > Lehrstuhl Professor Richter > Arbeitsgruppe Jaroslav Fabian | ||||
| Identifikationsnummer |
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| Klassifikation |
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| Stichwörter / Keywords | GAS; | ||||
| 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-228645 | ||||
| Dokumenten-ID | 22864 |
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