45 citations · 45 across the 7 of their papers we have counts for
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Tunable Carrier Dynamics in Carbide Antiperovskites via A-Site Cation Substitution
Sanchi Monga, Saswata Bhattacharya
We present a comprehensive first-principles investigation of the electronic structure and excited-state carrier dynamics in the carbide antiperovskites CaCSe and SrCSe$…
Tuning Nonradiative Recombination via Cation Substitution in Inorganic Antiperovskite Nitrides
Sanchi Monga, Saswata Bhattacharya
Inorganic antiperovskite nitrides have recently emerged as promising materials for photovoltaic applications, yet their nonradiative recombination dynamics remain largely unexplore…
Exploring the role of four-phonon scattering in the lattice thermal transport of LaMoN
Manjari Jain, Sanchi Monga, Saswata Bhattacharya
In this work, we systematically investigate the lattice thermal conductivity () of LaMoN in the 2/ and 3 phases using first-principles calculations combined wi…
Role of Dimensionality on Excitonic Properties of BiSeI using Many-body Perturbative Approaches
Sanchi Monga, Saswata Bhattacharya
The mechanical exfoliation of two-dimensional materials has sparked significant interest in the study of low-dimensional structures. In this work, we investigate the bulk and low-d…
Theoretical Insights into Inorganic Antiperovskite Nitrides (XNA; X = Mg, Sr, Ca, Ba; A = Sb, As): An Emerging Class of Materials for Photovoltaics
Sanchi Monga, Manjari Jain, Claudia Draxl +1
Antiperovskite nitrides are potential candidates for applications harvesting solar light. With a comprehensive state-of-the-art approach combining hybrid density-functional theory,…
Theoretical evaluation of oxynitride, oxyfluoride and nitrofluoride perovskites with promising photon absorption properties for solar water splitting
Manjari Jain, Deepika Gill, Sanchi Monga +1
Photocatalytic water splitting represents a very promising but at the same time very challenging contribution to a clean and renewable route to produce hydrogen fuel. Developing ef…
Coupled spin-valley, Rashba effect and hidden persistent spin polarization in WSiN family
Sajjan Sheoran, Deepika Gill, Ankita Phutela +1
The new two-dimensional materials, MoSiN and WSiN are experimentally synthesized successfully and various similar structures are predicted theoretically. Here, we r…