DFT analysis of Ba2XTaO6 (X = Sm, Er) perovskites: Stability & functional properties

Nasir Rahman, Amir Ullah, Ahmed Azzouz‐Rached, Mudasser Husain, M.D. Alshahrani, Amani H. Alfaifi, Khamael M. Abualnaja, Wafa Mohammed Almalki, Eman Almutib, Muawya Elhadi, Vineet Tirth, Rajwali Khan

2025Journal of Physics and Chemistry of Solids15 citationsDOI

Topics & Concepts

Density functional theoryChemistryStability (learning theory)Materials scienceCrystallographyComputational chemistryComputer scienceMachine learningMagnetic and transport properties of perovskites and related materialsFerroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics Synthesis

DFT analysis of Ba2XTaO6 (X = Sm, Er) perovskites: Stability &amp; functional properties

Topics & Concepts

DFT analysis of Ba2XTaO6 (X = Sm, Er) perovskites: Stability & functional properties