Density functional applications of jellium with a local gap model correlation energy functional

S Jana, LA Constantin, P Samal - The Journal of Chemical Physics, 2023 - pubs.aip.org
We develop a realistic density functional approximation for the local gap, which is based on
a semilocal indicator that shows good screening properties. The local band model has …

Accurate and efficient prediction of the band gaps and optical spectra of chalcopyrite semiconductors from a nonempirical range-separated dielectric-dependent …

A Ghosh, S Jana, D Rani, M Hossain, MK Niranjan… - Physical Review B, 2024 - APS
The accurate prediction of electronic and optical properties in chalcopyrite semiconductors
has been a persistent challenge for density-functional-theory (DFT)-based approaches …

Parameter estimation of the Bardeen-Kerr black hole in cloud of strings using shadow analysis

BK Vishvakarma, DV Singh, S Siwach - Physica Scripta, 2024 - iopscience.iop.org
We consider the rotating generalization of the Bardeen black hole solution in the presence
of a cloud of strings (CoS). The parameter space for which the black hole horizon exists is …

An Investigation into the Thermoelectric Characteristics of Silver-based Chalcopyrites Utilizing a Non-empirical Range-separated Dielectric-dependent Hybrid …

D Rani, S Jana, MK Niranjan, P Samal - arxiv preprint arxiv:2405.11508, 2024 - arxiv.org
Our investigation explores the intricate domain of thermoelectric phenomena within silver
(Ag)-infused chalcopyrites, focusing on compositions such as AgXTe $ _2 $(where X= Ga …