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Ab-intio investigations on pure and B-Mg atom co-doped monolayer graphene


Maroof Ali , Arbab Nighat, Irfan Ahmed


Vol. 18  No. 8  pp. 28-32


The structural, electronic and optical properties of individual Boron (B) and B-Mg(Magnesium) co doped system has been investigated through first principles density functional theory method. It is found that, After B-Mg co-doping the Dirac cone moves to conduction Band and a Band gap of 0.6ev appears at high symmetric K-point. A shift in Fermi level forward and valence band. Optical properties specifically absorption and reflectivity were calculate as well .it is found that ,B-Mg co-doping produces rise in absorption in 0-2ev energy range and a red-shift also appear in absorption coefficient static reflectivity parametric is increased , and reflectivity parametric shows rise in lower energy range


Graphene B-Mg doping Absorption Doping Material studio.