Article (Scientific journals)
Tight-binding description of the quasiparticle dispersion of graphite and few-layer graphene
Grueneis, A.; Attaccalite, C.; Wirtz, Ludger et al.
2008In Physical Review. B, 78 (20)
Peer reviewed
 

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Abstract :
[en] A universal set of third-nearest-neighbor tight-binding (TB) parameters is presented for calculation of the quasiparticle (QP) dispersion of N stacked sp(2) graphene layers (N=1...infinity) with AB stacking sequence. The present TB parameters are fit to ab initio calculations on the GW level and are universal, allowing to describe the whole pi "experimental" band structure with one set of parameters. This is important for describing both low-energy electronic transport and high-energy optical properties of graphene layers. The QP bands are strongly renormalized by electron-electron interactions, which results in a 20% increase in the nearest-neighbor in-plane and out-of-plane TB parameters when compared to band structure from density-functional theory. With the new set of TB parameters we determine the Fermi surface and evaluate exciton energies, charge carrier plasmon frequencies, and the conductivities which are relevant for recent angle-resolved photoemission, optical, electron energy loss, and transport measurements. A comparision of these quantitities to experiments yields an excellent agreement. Furthermore we discuss the transition from few-layer graphene to graphite and a semimetal to metal transition in a TB framework.
Disciplines :
Physics
Author, co-author :
Grueneis, A.;  University of Vienna, Faculty of Physics / IFW Dresden
Attaccalite, C.;  Donastia International Physics Center, ETSF / CNRS UMR8520, Institute for Electronics, Microelectronics, and Nanotechnology
Wirtz, Ludger ;  CNRS UMR 8520 > Institute for Electronics, Microelectronics, and Nanotechnology
Shiozawa, H.;  University of Surrey > Advanced Technology Institute
Saito, R.;  Tohoku University > Department of Physics
Pichler, T.;  University of Vienna > Faculty of Physics
Rubio, A.;  Donostia International Physics Center, ETSF
Language :
English
Title :
Tight-binding description of the quasiparticle dispersion of graphite and few-layer graphene
Publication date :
2008
Journal title :
Physical Review. B
ISSN :
1098-0121
Volume :
78
Issue :
20
Peer reviewed :
Peer reviewed
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