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arXiv · 2402.07533

Tuning proximity spin-orbit coupling in graphene/NbSe$_2$ heterostructures via twist angle

Abstract

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 $\Theta=0^\circ$ to $\Theta=30^\circ$ twist angle. Furthermore, at a twist angle of $\Theta\approx23^\circ$ the in-plane spin texture acquires a large radial component, corresponding to a Rashba angle of up to $\Phi=25^\circ$. 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.

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Thomas Naimer, Martin Gmitra, Jaroslav Fabian. 2024-02-12. Tuning proximity spin-orbit coupling in graphene/NbSe$_2$ heterostructures via twist angle. https://arxiv.org/abs/2402.07533

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