67 citations · 144 across the 8 of their papers we have counts for
11 papers
Enhanced room temperature ferromagnetism in nanostructured MoS2 flakes by hydrogen post-treatment: Combined experimental and first-principles-based studies
Sharmistha Dey, Ankita Phutela, Saswata Bhattacharya +3
We meticulously study the individual effects of hydrogen irradiation and annealing on the electronic structure and magnetic properties of nanostructured MoS2 thin films grown throu…
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,…
Probing switchable valley-related Hall effects in 2D magnetic MXenes
Ankita Phutela, Sajjan Sheoran, Saswata Bhattacharya
The search for two-dimensional materials with exotic valley-dependent properties has attracted rapid attention as they are fundamentally intriguing and practically appealing for na…
Accelerated Neural Network Training through Dimensionality Reduction for High-Throughput Screening of Topological Materials
Ruman Moulik, Ankita Phutela, Sajjan Sheoran +1
Machine Learning facilitates building a large variety of models, starting from elementary linear regression models to very complex neural networks. Neural networks are currently li…
Strain-driven topological quantum phase transition in the family of halide perovskites
Ankita Phutela, Sajjan Shoeran, Saswata Bhattacharya
The centrosymmetric halide perovskites undergo a continuous phase transition from a normal insulator to a topological insulator at the critical value of strain. Contrarily, in nonc…
Effect of crystal field engineering and Fermi level optimization on thermoelectric properties of GeTe: Experimental investigation and theoretical insight
Ashutosh Kumar, Preeti Bhumla, D. Sivaprahasam +2
This study shows a method of enhancing the thermoelectric properties of GeTe-based materials by Ti and Bi co-doping on cation sites along with self-doping with Ge via simultaneous…