Optical conductivity of hydrogenated graphene from first principles

URN to cite this document:: urn:nbn:de:bvb:355-epub-322532
DOI to cite this document:: 10.5283/epub.32253

Putz, Sebastian

; Gmitra, Martin ; Fabian, Jaroslav

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Date of publication of this fulltext: 27 Jul 2015 09:49

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Abstract

We investigate the effect of hydrogen coverage on the optical conductivity of single-side hydrogenated graphene from first-principles calculations. To account for different degrees of uniform hydrogen coverage we calculate the complex optical conductivity for graphene supercells of various sizes, each containing a single additional hydrogen atom. We use the linearized augmented plane wave method, ...