Theory of spin-orbit induced spin relaxation in functionalized graphene

Abstract

We perform a comparative study of the spin relaxation by spin-orbit coupling induced from adatoms (hydrogen and fluorine) in graphene. Two methods are applied, giving consistent results: a full quantum transport simulation of a graphene nanoribbon, and a T-matrix calculation using Green's functions for a single adatom in graphene. For hydrogenated graphene the dominant spin-orbit term for spin relaxation is PIA, the hitherto neglected interaction due to pseudospin inversion asymmetry. In contrast, in fluorinated graphene PIA and Rashba couplings destructively interfere, reducing the total spin relaxation rate. In this case we also predict a strong deviation from the expected 2:1 spin relaxation anisotropy for out- and in-plane spin orientations. Our findings should be useful to benchmark spin relaxation and weak localization experiments of functionalized graphene.