2009/04/30 by M. Gmitra, S. Konschuh, C. Ertler +2 · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.80.235431
published as Phys. Rev. B 80, 235431 (2009) · 4 pages, 4 figures
arxiv created 2009/07/23 · arxiv updated 2013/05/29
The electronic band structure of graphene in the presence of spin-orbit coupling and transverse electric field is investigated from first principles using the linearized augmented plane-wave method. The spin-orbit coupling opens a gap at the K(K')-point of the magnitude of 24 μeV (0.28 K). This intrinsic splitting comes 96% from the usually neglected d and higher orbitals. The electric field induces an additional (extrinsic) Bychkov-Rashba-type splitting of 10 μeV (0.11 K) per V/nm, coming from the σ-π mixing. A 'mini-ripple' configuration with every other atom is shifted out of the sheet by less than 1% differs little from the intrinsic case.