Tight--binding description of the quasiparticle dispersion of graphite and few--layer graphene

Physical Review B 78, 205425 - 16 (2008)

Tight--binding description of the quasiparticle dispersion of graphite and few--layer graphene

A. Grüneis, C. Attaccalite, L. Wirtz, H. Shiozawa, R. Saito, T. Pichler, A. Rubio

A universal set of third--nearest neighbour tight--binding (TB) parameters is presented for calculation of the quasiparticle (QP) dispersion of N stacked sp2 graphene layers (N=1...∞) with AB stacking sequence. The QP bands are strongly renormalized by electron--electron interactions which results in a 20% increase of the nearest neighbour 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.

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http://dx.doi.org/10.1103/PhysRevB.78.205425
arxiv
http://arxiv.org/abs/0808.1467
Notes
Selected for the December 1, 2008 issue of Virtual Journal of Nanoscale Science & Technology.

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