Spin-orbit coupling in curved graphene, fullerenes, nanotubes, and nanotube caps

TL;DR

This paper develops a continuum model for spin-orbit interaction in curved graphene structures, analyzing effects of curvature, electric fields, and atomic interactions, with implications for nanotubes, fullerenes, and related materials.

Contribution

It derives a comprehensive effective spin-orbit Hamiltonian for curved graphene and related nanostructures, incorporating curvature and electric field effects, extending previous group theoretical results.

Findings

Intrinsic spin-orbit coupling in flat graphene is proportional to the square of intra-atomic coupling.

Curvature induces an additional spin-orbit term proportional to the intra-atomic coupling.

Spin-orbit effects lead to observable energy gaps and spin-splitting in nanotubes and localized states in caps.

Abstract

A continuum model for the effective spin orbit interaction in graphene is derived from a tight-binding model which includes the $\pi$ and $\sigma$ bands. We analyze the combined effects of the intra-atomic spin-orbit coupling, curvature, and applied electric field, using perturbation theory. We recover the effective spin-orbit Hamiltonian derived recently from group theoretical arguments by Kane and Mele. We find, for flat graphene, that the intrinsic spin-orbit coupling $\Hi \propto \Delta^ 2$ and the Rashba coupling due to a perpendicular electric field ${\cal E}$, $\Delta_{\cal E} \propto \Delta$, where $\Delta$ is the intra-atomic spin-orbit coupling constant for carbon. Moreover we show that local curvature of the graphene sheet induces an extra spin-orbit coupling term $\Delta_{\rm curv} \propto \Delta$. For the values of $\cal E$ and curvature profile reported in actual samples of graphene, we find that $\Hi < \Delta_{\cal E} \lesssim \Delta_{\rm curv}$. The effect of spin-orbit coupling on derived materials of graphene, like fullerenes, nanotubes, and nanotube caps, is also studied. For fullerenes, only $\Hi$ is important. Both for nanotubes and nanotube caps $\Delta_{\rm curv}$ is in the order of a few Kelvins. We reproduce the known appearance of a gap and spin-splitting in the energy spectrum of nanotubes due to the spin-orbit coupling. For nanotube caps, spin-orbit coupling causes spin-splitting of the localized states at the cap, which could allow spin-dependent field-effect emission.