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• W2025798428 abstract "A lattice dynamical formalism using the shell model (R. A. Cowley, Phys. Rev. 134, A981 (1964) [1]) is applied to ferroelectric crystal BaTiO3, in the tetragonal phase. This microscopic model includes the short-range interactions of axially symmetric type and the long-range Coulomb interactions takes into account the electronic polarizability of constituent ions. The stability conditions of crystal are used to determine several first-derivatives potential for the crystals. Zone center phonons are used for fitting. In general, we obtained the best agreement between the calculated and observed frequencies. A calculation of the oblique phonons and electromechanical coupling are presented and compared with the available experimental data. It can be seen that, the electromechanical coupling is at a maximum when the acoustic wave is polarized parallel to the polar c-axis, and there is zero coupling when the polarization is perpendicular to this axis. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)" @default.
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• W2025798428 date "2006-09-01" @default.
• W2025798428 modified "2023-10-16" @default.
• W2025798428 title "Lattice dynamics and the electromechanical properties of BaTiO3 in tetragonal phase" @default.
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• W2025798428 doi "https://doi.org/10.1002/pssc.200567052" @default.
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