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Konschuh, Sergej ; Gmitra, Martin ; Fabian, Jaroslav

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

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftPhysical Review B (PRB)
Verlag:AMER PHYSICAL SOC
Ort der Veröffentlichung:COLLEGE PK
Band:82
Nummer des Zeitschriftenheftes oder des Kapitels:24
Seitenbereich:S. 245412
DatumDezember 2010
InstitutionenPhysik > Institut für Theoretische Physik > Lehrstuhl Professor Richter > Arbeitsgruppe Jaroslav Fabian
Identifikationsnummer
WertTyp
10.1103/PhysRevB.82.245412DOI
Klassifikation
NotationArt
31.15.ae, 71.15.Mb, 31.15.aj, 71.90.+qPACS
Stichwörter / KeywordsGAS;
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 530 Physik
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenJa
URN der UB Regensburgurn:nbn:de:bvb:355-epub-228645
Dokumenten-ID22864

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