Elastic, mechanical and thermodynamic properties of technetium-based perovskites XTcO3 (X = K, Rb) compounds

• Main Authors: Nouri, Toufik, Khelfaoui, Friha, Amara, Kadda, Bouhemadou, Abdelmadjid, Belkharroubi, Fadila, Al-Douri, Y.
• Format: Article
• Published: Elsevier 2024
• Subjects: QC Physics
• Online Access: http://eprints.um.edu.my/45591/; https://doi.org/10.1016/j.physb.2024.415780

ab-initio calculations are employed to determine the structural, mechanical, elastic, electronic and thermodynamic properties of perovskite oxides XTcO3 (X = K, Rb). From the computed structural properties, KTcO3 and RbTcO3 are found to be stable with equilibrium lattice constants; 7.3943 Bohr and 7...