360 citations · 864 across the 12 of their papers we have counts for
Showing 2024 · cond-mat.mtrl-sciShow all
2 papers · 2 filters
cond-mat.mtrl-sci2024
An Investigation into the Thermoelectric Characteristics of Silver-based Chalcopyrites Utilizing a Non-empirical Range-separated Dielectric-dependent Hybrid Approach
Dimple Rani, Subarata Jana, Manish Kumar Niranjan +1
Our investigation explores the intricate domain of thermoelectric phenomena within silver (Ag)-infused chalcopyrites, focusing on compositions such as AgXTe (where X=Ga, In) an…
cond-mat.mtrl-sci2024★ 12 cited
Accurate and efficient prediction of the band gaps and optical spectra of chalcopyrite semiconductors from a non-empirical range-separated dielectric-dependent hybrid: Comparison with many-body perturbation theory
Arghya Ghosh, Subrata Jana, Dimple Rani +3
The accurate prediction of electronic and optical properties in chalcopyrite semiconductors has been a persistent challenge for density functional theory (DFT) based approaches. Ad…