4 papers
Tunable Magnetic Frustration in the Cu-Ru-based Double Perovskite LaSmCuRuO (x = 0, 1, 2) Oxides
Soumya Ghorai, Samir Rom, Irina Shamova +7
In this study, we investigate structural, magnetic, and electronic properties of the copper-ruthenate based oxide double perovskite LaSmCuRuO (x = 0, 1, 2), synthes…
MXene with Janus Structure at Transition metal site -A route to Emergent Properties
Rajdeep Biswas, Tanusri Saha Dasgupta, Tanusri Saha Dasgupa
Motivated by the discovery of bimetallic MXene compounds with Janus metal sites, we investigate Janus MXenes TiM"CO2, where M" = Mo, W. Our computational analysis reveals that brok…
Role of topotactic hydrogen in Superconductivity of Infinite-layer Nickelate NdNiO: A first-principles and variational Monte Carlo study
Manoj Gupta, Arun Kumar Maurya, Amal Medhi +1
Employing combination of first-principles calculations, low-energy model construction, and variational Monte Carlo solution of the ab-initio derived Hubbard model, we study the eff…
Unusual Valence of Ru and Prediction of Magnetism, Anomalous Hall Conductivity in a Newly Synthesized Double Perovskite Compound Ca_2CoRuO_6
Koushik Pradhan, Soumya Ghorai, Prabuddha Sanyal +4
With a goal to expand on the family of double perovskite compounds, hosting 3d transition metal and 4d or 5d transition metal, two new ordered double perovskite compounds, CaFe…