Elastic, mechanical and thermodynamic properties of technetium-based perovskites XTcO3 (X = K, Rb) compounds
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...
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| Main Authors: | , , , , , |
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| 格式: | Article |
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Elsevier
2024
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| 在线阅读: | http://eprints.um.edu.my/45591/ https://doi.org/10.1016/j.physb.2024.415780 |
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