Hyperfine Interactions in Graphene and Related Carbon Nanostructures

TL;DR

This paper investigates hyperfine interactions in graphene and related nanostructures, providing detailed parameters and models based on first principles calculations and statistical analysis.

Contribution

It offers a comprehensive set of parameters for hyperfine interactions in graphene, including effects of impurities and edge terminations, derived from first principles and statistical methods.

Findings

Hyperfine interactions can be accurately modeled using local electron spin distributions.

Parameters for C-13 and other nuclear spins at impurities and edges are determined.

Both isotropic and dipolar hyperfine interactions are characterized.

Abstract

Hyperfine interactions, magnetic interactions between the spins of electrons and nuclei, in graphene and related carbon nanostructures are studied. By using a combination of accurate first principles calculations on graphene fragments and statistical analysis, I show that both isotropic and dipolar hyperfine interactions can be accurately described in terms of the local electron spin distribution and atomic structure. A complete set of parameters describing the hyperfine interactions of C-13 and other nuclear spins at substitution impurities and edge terminations is determined.