Gmitra, M. and Konschuh, S. and Ertler, C. and Ambrosch-Draxl, C. and Fabian, J. (2009) Band-structure topologies of graphene: Spin-orbit coupling effects from first principles. PHYSICAL REVIEW B, 80 (23): 235431. ISSN 1098-0121,
Full text not available from this repository.Abstract
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 of 24 mu eV (0.28 K) at the K(K-') point. It is shown that the previously accepted value of 1 mu eV, coming from the sigma-pi mixing, is incorrect due to the neglect of d and higher orbitals whose contribution is dominant due to symmetry reasons. The transverse electric field induces an additional (extrinsic) Bychkov-Rashba-type splitting of 10 mu eV (0.11 K) per V/nm, coming from the sigma-pi mixing. A "miniripple" configuration with every other atom shifted out of the sheet by less than 1% differs little from the intrinsic case.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | GRAPHITE; TRANSPORT; GAS; ab initio calculations; APW calculations; band structure; electronic structure; graphene; spin-orbit interactions |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Jaroslav Fabian |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 31 Aug 2020 09:54 |
| Last Modified: | 31 Aug 2020 09:54 |
| URI: | https://pred.uni-regensburg.de/id/eprint/28082 |
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