Faculty Publications
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Item Electronic band structure and photoemission spectra of graphene on silicon substrate(SPIE spie@spie.org, 2014) Javvaji, B.; Ravikumar, A.; Shenoy, B.M.; Roy Mahapatra, D.; Rahman, M.R.; Hegde, G.M.Synergizing graphene on silicon based nanostructures is pivotal in advancing nano-electronic device technology. A combination of molecular dynamics and density functional theory has been used to predict the electronic energy band structure and photo-emission spectrum for graphene-Si system with silicon as a substrate for graphene. The equilibrium geometry of the system after energy minimization is obtained from molecular dynamics simulations. For the stable geometry obtained, density functional theory calculations are employed to determine the energy band structure and dielectric constant of the system. Further the work function of the system which is a direct consequence of photoemission spectrum is calculated from the energy band structure using random phase approximations. © 2014 SPIE.Item Optoelectronic properties of graphene silicon nano-texture(Institute of Electrical and Electronics Engineers Inc., 2014) Brahmanandam, J.; Ajmalghan, M.; Abhilash, R.K.; Roy Mahapatra, D.; Rahman, M.R.; Hegde, G.M.Graphene on silicon with silicon dioxide quantum dots is a promising opto-electronic material. The optical band gap and the corresponding optical conductivity are estimated using the density functional approach with the combination of molecular dynamics. The regular repeating unit cell of graphene silicon nano-texture is identified using the classical molecular dynamics simulations. Electronic calculations predict the optical band gap is around 0.2 eV and the optical conductivity is identified to be 0.3 times the quantum conductance. © 2014 IEEE.
