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Magnetism-Dependent Transport Phenomena in Hydrogenated Graphene: From Spin-Splitting to Localization Effects

AutorLeconte, Nicolás; Soriano, David ; Roche, Stephan ; Ordejón, Pablo ; Charlier, Jean-Christopher; Palacios, J. J.
Palabras claveDisordered graphene
Quantum transport
Metal-insulator transition
Ballistic transport
numerical simulation
Graphene spintronics
Fecha de publicaciónmay-2011
EditorAmerican Chemical Society
CitaciónACS Nano 5 (5), 3987-3992 (2011)
ResumenSpin-dependent transport in hydrogenated two-dimensional graphene is explored theoretically. Adsorbed atomic hydrogen Impurities can either induce a local antiferromagnetic, ferromagnetic, or nonmagnetic state depending on their density and relative distribution. To describe the various magnetic possibilities of hydrogenated graphene, a self-consistent Hubbard Hamiltonian, optimized by ab initio calculations, Is first solved in the mean field approximation for small graphene cells. Then, an efficient order N Kubo transport methodology is implemented, enabling large scale simulations of functionalized graphene. Depending on the underlying intrinsic magnetic ordering of hydrogen-induced spins, remarkably different transport features are predicted for the same Impurity concentration. Indeed, while the disordered nonmagnetic graphene system exhibits a transition from diffusive to localization regimes, the intrinsic ferromagnetic state exhibits unprecedented robustness toward quantum Interference, maintaining, for certain resonant energies, a quasiballistic regime up to the micrometer scale. Consequently, low temperature transport measurements could unveil the presence of a magnetic state in weakly hydrogenated graphene.
Descripción“This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in [JournalTitle], copyright © American Chemical Society after peer review. To access the final edited and published work see [insert ACS Articles on Request author-directed link to Publisher website.
Versión del editorhttp://dx.doi.org/10.1021/nn200558d
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