16 citations · 16 across the 5 of their papers we have counts for
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Size dependence of lattice constants of semiconductor nanocrystals
Roby Cherian, Priya Mahadevan
We have theoretically examined the size dependence of the equilibrium lattice constant of nanocrystals of Si, GaAs and CdSe. While deviations from the bulk lattice constant are as…
Electronic structure of NaWO: Role of the impurity potential
Priya Mahadevan, Roby Cherian, K. J. Sankaran +1
We have performed {\it ab-initio} electronic structure calculations to determine the evolution of the electronic structure of WO with Na doping. Na doping introduces an additio…
Role of semi core levels in determining the band-gaps of semiconductors: First-principles calculations with model Hamiltonians
Roby Cherian, Priya Mahadevan, Clas Persson
First principle calculations based on LDA/GGA approximation for the exchange functional underestimate the position of the semi core 3d levels in GaX (X = N, P and As) semiconductor…
Elastic Properties of Carbon nanotubes : An atomistic approach
Roby Cherian, Priya Mahadevan
Energetically the single sheet of graphite (graphene) is more stable than the nanotube. The energy difference between the two systems can be directly related to the strain energy i…