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Manipulation of inherent properties of graphene through co-doping of Si and Ge atoms a DFT study


Rahim Bux, Muhammad Rafique, Irfan Ahme and Zubair Ali


Vol. 19  No. 1  pp. 28-33


This work examines the effect of co-doping the Si and Ge on the structure of graphene in terms of the structural, electronic and optical properties based on First-principles (FPS) density functional theory calculations. The immersion of impurity atoms was increased from 8.33% to 12.5% and their causes on pure graphene characteristics were investigated. It is observed that, co-doping of Si and Ge atoms in graphene leads to broadening of band gap at the Dirac K-point. We also found that, co-doping of silicon and germanium atoms in graphene lattice significantly changes its optical parameters in the visible range of spectrum. These results suggest a unique method to tailor the opto-electronic properties of graphene layer which can be realized on experimental basis as well.


Graphene doping Fermi energy level VASP Dirac Point