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- W1963665065 endingPage "4049" @default.
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- W1963665065 abstract "The validity of the nonlinear polarizability model to describe the different structural behavior as a function of temperature observed in ${mathrm{KTaO}}_{3}$ and ${mathrm{KNbO}}_{3}$ is analyzed. To this purpose, the total energy for different atomic distortions is evaluated and the results are compared with recent total-energy studies using ab initio methods. It is shown that the large O 2p--Nb 4d hybridization observed in first-principles calculations and a model description through a nonlinear oxygen polarizability are actually not contra- dictory explanations for the origin of ferroelectricity in perovskites." @default.
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- W1963665065 date "1995-08-01" @default.
- W1963665065 modified "2023-10-18" @default.
- W1963665065 title "Structural instabilities inKTaO3andKNbO3described by the nonlinear oxygen polarizability model" @default.
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- W1963665065 doi "https://doi.org/10.1103/physrevb.52.4044" @default.
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