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Low-energy Electron Reflectivity from Graphene: First-Principles Computations and Approximate Models

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journal contribution
posted on 01.02.2013 by Randall Feenstra, Michael Widom

A computational method is developed whereby the reflectivity of low-energy electrons from a surface can be obtained from a first-principles solution of the electronic structure of the system. The method is applied to multilayer graphene. Two bands of reflectivity minima are found, one at 0 – 8 eV and the other at 14 – 22 eV above the vacuum level. For a free-standing slab with n layers of graphene, each band contains n 1 zeroes in the reflectivity. Two additional imagepotential type states form at the ends of the graphene slab, with energies just below the vacuum level, hence producing a total of 2n states. A tight-binding model is developed, with basis functions localized in the spaces between the graphene planes (and at the ends of the slab). The spectrum of states produced by the tight-binding model is found to be in good agreement with the zeros of reflectivity (i.e. transmission resonances) of the first-principles results.

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This is the author’s version of a work that was accepted for publication. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version is available at http://dx.doi.org/10.1016/j.ultramic.2013.02.011

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01/02/2013

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