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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. Â© 2014 IEEE.
Effect of pressure on the band structure of BC3
(American Institute of Physics Inc. subs@aip.org, 2016) Manju, M.S.; Harikrishnan, H.; Ajith, A.; Valsakumar, M.C.
Density functional theory (DFT) calculations were carried out to study the effect of pressure on the band structure of two dimensional BC3 sheet. BC3 is a semiconductor at ambient conditions having a band gap of ~0.3 eV. Electronic structure calculations are carried out on BC3 at pressures of 5, 20, 50 and 100 GPa. The system shows a semiconductor - metal transition by the application of pressure without any structural transition. Â© 2016 Author(s).