161 citations · 1.1k across the 62 of their papers we have counts for
63 papers
Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs
Sujoy Datta, Prashant Singh, Debnarayan Jana +4
A fully self-consistent density-functional theory (DFT) with improved functionals is used to provide a comprehensive account of structural, electronic, and optical properties of C$…
Electronic and optical properties of Germagraphene, a direct band-gap semiconductor
Sujoy Datta, Debnarayan Jana, Chhanda Basu Chaudhuri +1
In this communication, we report a theoretical attempt to understand the electronic and optical properties of germagraphene, a two-dimensional graphene analogue. We study two diffe…
Simple correction to bandgap in IV and III-V semiconductors: an improved first-principles local density functional theory
Sujoy Datta, Prashant Singh, Chhanda B. Chaudhuri +4
We report results from a fast, efficient, and first-principles full-potential N-order muffin-tin orbital (FP-NMTO) method combined with van Leeuwen-Baerends correction to lo…
Effect of disorder on the optical response of NiPt and NiPt alloys
Banasree Sadhukhan, Arabinda Nayak, Abhijit Mookerjee
In this communication we present a detailed study of the effect of chemical disorder on the optical response of NiPt (0.1 x 0.75) and NiPt…
Disorder induced lifetime effects in binary disordered systems : a first principles formalism and an application to doped Graphene
Banasree Sadhukhan, Subhadeep Bandyopadhyay, Arabinda Nayak +1
In this work the conducting properties of graphene lattice with a particular concentration of defect (5\% and 10\%) has been studied. The real space block recursion method introduc…
Band-gap tuning and optical response of two-dimensional SiC: A first-principles real space study of disordered 2D materials
Banasree Sadhukhan, Prashant Singh, Arabinda Nayak +3
We present a real-space formulation for calculating the electronic structure and optical conductivity of such random alloys based on the Kubo-Greenwood formalism interfaced with th…