Showing cond-mat.mtrl-sciShow all
3 papers · 1 filter
cond-mat.mtrl-sci2025
Navigating the Evolution of Two-dimensional Carbon Nitride Research: Integrating Machine Learning into Conventional Approaches
Deep Mondal, Sujoy Datta, Debnarayan Jana
Carbon nitride research has reached a promising point in today's research endeavours with diverse applications including photocatalysis, energy storage, and sensing due to their un…
cond-mat.mtrl-sci2025
Doping Induced Magnetic and Electronic phase Transition in Ferrimagnetic Half-metallic MnAl Compound
Sujoy Datta, Prashant Singh
The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate…
cond-mat.mtrl-sci2024
Porous CrO: a ferromagnetic half-metallic member in sparse hollandite oxide family
Sujoy Datta
A stable polymorph of CrO is predicted using PBE+U method. The porous material is isostructural with MnO making it the second transition metal oxide in sparse hollandi…