58 citations · 316 across the 50 of their papers we have counts for
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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…
Unveiling the Reactivity of Oxygen and Ozone on C2N Monolayer: A First-Principles Study
Soumendra Kumar Das, Lokanath Patra, Prasanjit Samal +1
The process of environmental oxidation is pivotal in determining the physical and chemical properties of two-dimensional (2D) materials. Its impact holds great significance for the…
Spin-Phonon interaction in quasi 2D- Cr
Gurupada Ghorai, Kalyan Ghosh, Abhilash Patra +3
Spin-phonon interaction plays an important role in 2D magnetic materials and motivates the development of next-generation spin- and charge-dependent microelectronic devices. Unders…
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…