Abstract
The electronic structure and elastic and thermodynamic properties of the AgMO3 (M = Nb, Ta) were investigated using first-principles calculations. The lattice parameters and volumes are in reasonable agreement with the experimental results. The calculated Cauchy’s pressure, Poisson’s ratio, and B/G ratio confirm the ductile nature of both the compounds. The variation in entropy (S), thermal expansion coefficient (α), constant volume heat capacity (Cv), and the constant pressure heat capacity Cp with temperature have been studied.
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The author confirm contribution to the paper as follows: study conception, design, data collection, analysis and interpretation of results and manuscript preparation: K. Ganga Prasad. Author reviewed the results and approved the final version of the manuscript.
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Ganga Prasad, K. Electronic Structure, Elastic, and Thermodynamic Properties of AgMO3 (M = Nb, Ta). Phys. Solid State 65, 106–110 (2023). https://doi.org/10.1134/S106378342360019X
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DOI: https://doi.org/10.1134/S106378342360019X