40 citations · 56 across the 6 of their papers we have counts for
6 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…
Increased metallicity of Carbon nanotubes because of incorporation of extended Stone-Wales' defects: an ab-initio real space approach
Sujoy Datta, Banasree Sadhukhan, Chhanda Basu Chaudhuri +2
We propose an ab-initio combination of the Linear Muffin-Tin Orbital and the Recursion Methods to study the effect of extended Stone-Wales defects in single layer Carbon nanotubes.…
Electronic structure and magnetism in disordered bcc Fe alloys
Subhradip Ghosh, Chhanda Basu Chaudhuri, Biplab Sanyal +1
We here study electronic structure and magnetic properties of bcc CoFe, CrFe and MnFe in their ferromagnetic phases using Augmented Space…
Effect of short range order on electronic and magnetic properties of disordered Co based alloys
Subhradip Ghosh, Chhanda Basu Chaudhuri, Biplab Sanyal +1
We here study electronic structure and magnetic properties of disordered CoPd and CoPt alloys using Augmented Space Recursion technique coupled with the tight-binding linearized mu…