Showing 2025Show all
2 papers · 1 filter
cond-mat.mtrl-sci2025
High-fidelity electronic structure and properties of InSb: and Bayesian-optimized hybrid functionals and DFT+ approaches
Ritwik Das, Anne-Sophie Grimault-Jacquin, Frédéric Aniel
This study presents a refined approach to computing the electronic structure of indium antimonide (InSb) using advanced \textit{ab initio} techniques with the In and Sb s…
cond-mat.str-el2025
From Density Functional Theory to Spin Hamiltonians: Magnetism in Honeycomb Compound OsCl
Ritwik Das, Indra Dasgupta
Magnetism in strongly correlated honeycomb systems with electronic configuration has garnered significant attention due to its potential to realize the Kitaev spin liquid sta…