Frank, Tobias and Gmitra, Martin and Fabian, Jaroslav (2016) Theory of electronic and spin-orbit proximity effects in graphene on Cu(111). PHYSICAL REVIEW B, 93 (15): 155142. ISSN 2469-9950, 2469-9969
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We study orbital and spin-orbit proximity effects in graphene adsorbed to the Cu(111) surface by means of density functional theory (DFT). The proximity effects are caused mainly by the hybridization of graphene p and copper d orbitals. Our electronic structure calculations agree well with the experimentally observed features. We carry out a graphene-Cu(111) distance dependent study to obtain proximity orbital and spin-orbit coupling parameters, by fitting the DFT results to a robust low energy model Hamiltonian. We find a strong distance dependence of the Rashba and intrinsic proximity induced spin-orbit coupling parameters, which are in the meV and hundreds of mu eV range, respectively, for experimentally relevant distances. The Dirac spectrum of graphene also exhibits a proximity orbital gap, of about 20 meV. Furthermore, we find a band inversion within the graphene states accompanied by a reordering of spin and pseudospin states, when graphene is pressed towards copper.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | CHEMICAL-VAPOR-DEPOSITION; SPINTRONICS; COPPER; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Jaroslav Fabian |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 05 Apr 2019 07:18 |
| Last Modified: | 05 Apr 2019 07:18 |
| URI: | https://pred.uni-regensburg.de/id/eprint/3061 |
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