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Tuning proximity spin-orbit coupling in graphene/NbSe$_2$ heterostructures via twist angle (2402.07533v2)

Published 12 Feb 2024 in cond-mat.mes-hall

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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