Quantum transport in chemically modified two-dimensional graphene: From minimal conductivity to Anderson localization

N. Leconte, A. Lherbier, F. Varchon, P. Ordejon, S. Roche, J. C. Charlier

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Abstract

An efficient computational methodology is used to explore charge transport properties in chemically modified (and randomly disordered) graphene-based materials. The Hamiltonians of various complex forms of graphene are constructed using tight-binding models enriched by first-principles calculations. These atomistic models are further implemented into a real-space order-N Kubo-Greenwood approach, giving access to the main transport length scales (mean free paths, localization lengths) as a function of defect density and charge carrier energy. An extensive investigation is performed for epoxide impurities with specific discussions on both the existence of a minimum semiclassical conductivity and a crossover between weak to strong localization regime. The 2D generalization of the Thouless relationship linking transport length scales is here illustrated based on a realistic disorder model. © 2011 American Physical Society.
Original languageEnglish
Article number235420
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume84
Issue number23
DOIs
Publication statusPublished - 2 Dec 2011

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    Leconte, N., Lherbier, A., Varchon, F., Ordejon, P., Roche, S., & Charlier, J. C. (2011). Quantum transport in chemically modified two-dimensional graphene: From minimal conductivity to Anderson localization. Physical Review B - Condensed Matter and Materials Physics, 84(23), [235420]. https://doi.org/10.1103/PhysRevB.84.235420