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Tight-binding theory of the spin-orbit coupling in graphene
Konschuh, Sergej, Gmitra, Martin
and Fabian, Jaroslav
(2010)
Tight-binding theory of the spin-orbit coupling in graphene.
Physical Review B (PRB) 82 (24), p. 245412.
Date of publication of this fulltext: 06 Dec 2011 06:56
Article
DOI to cite this document: 10.5283/epub.22864
Abstract
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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| Item type | Article | ||||
| Journal or Publication Title | Physical Review B (PRB) | ||||
| Publisher: | AMER PHYSICAL SOC | ||||
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| Place of Publication: | COLLEGE PK | ||||
| Volume: | 82 | ||||
| Number of Issue or Book Chapter: | 24 | ||||
| Page Range: | p. 245412 | ||||
| Date | December 2010 | ||||
| Institutions | Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Jaroslav Fabian | ||||
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| Classification |
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| Keywords | GAS; | ||||
| Dewey Decimal Classification | 500 Science > 530 Physics | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-228645 | ||||
| Item ID | 22864 |
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