Ab initio spin-flip conductance of hydrogenated graphene nanoribbons: Spin-orbit interaction and scattering with local impurity spins

Abstract

We calculate the spin-dependent zero-bias conductance $G_{\sigma {\sigma }^{\prime }}$ in armchair graphene nanoribbons with hydrogen adsorbates employing a DFT-based ab initio transport formalism including spin-orbit interaction. We find that the spin-flip conductance $G_{\sigma \bar{\sigma }}$ can reach the same order of magnitude as the spin-conserving one, $G_{\sigma \sigma }$, due to exchange-mediated spin scattering. In contrast, the genuine spin-orbit interaction appears to play a secondary role, only.

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