Optical properties of transition metal atom adsorbed graphene: A density functional theoretical calculation

Electronic and optical properties of 3d-transition metal adsorbed graphene system, theoretically studied in the framework of density functional theory, reveals significant modification compared to the pristine system. Due to adsorption of transition metal, the emergence of closely separated electronic bands leads to substantial amount of low energy optical absorption below 2.0 eV photon energy. Very significant enhancement of static dielectric constant and large value of reflectivity in the low optical energy regime has been identified for different adsorbed systems. In the different 3d-transition metal adsorbed systems, particularly up to the half filled d-shell transition metal atom, pronounced emergence of optical absorption line in the deep ultraviolet regime beyond 30.0 eV photon energy is observed. (C) 2015 Elsevier B.V. All rights reserved.