Naimer, Thomas and Gmitra, Martin and Fabian, Jaroslav (2024) Tuning proximity spin-orbit coupling in graphene / NbSe 2 heterostructures via twist angle. PHYSICAL REVIEW B, 109 (20): 205109. ISSN 2469-9950, 2469-9969
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We investigate the effect of the twist angle on the proximity spin -orbit coupling (SOC) in graphene / NbSe 2 heterostructures from first principles. The low -energy Dirac bands of several different commensurate twisted supercells are fitted to a model Hamiltonian, allowing us to study the twist -angle dependency of the SOC in detail. We predict that the magnitude of the Rashba SOC can triple, when going from 0 = 0 degrees to 0 = 30 degrees twist angle. Furthermore, at a twist angle of 0 approximate to 23 degrees the in -plane spin texture acquires a large radial component, corresponding to a Rashba angle of up to (I) = 25 degrees . The twist -angle dependence of the extracted proximity SOC is explained by analyzing the orbital decomposition of the Dirac states to reveal with which NbSe 2 bands they hybridize strongest. Finally, we employ a Kubo formula to evaluate the efficiency of conventional and unconventional charge -to -spin conversion in the studied heterostructures.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | TRANSPORT; CRYSTALS; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Jaroslav Fabian |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 10 Sep 2025 11:21 |
| Last Modified: | 10 Sep 2025 11:21 |
| URI: | https://pred.uni-regensburg.de/id/eprint/64101 |
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