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Elastic, mechanical and thermodynamic properties of technetium-based perovskites XTcO3 (X = K, Rb) compounds
Nouri, Toufik; Khelfaoui, Friha; Amara, Kadda; Bouhemadou, Abdelmadjid; Belkharroubi, Fadila; Al-Douri Y. (Elsevier B.V., 2024)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 ...