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• W1623875581 startingPage "09NE02" @default.
• W1623875581 abstract "The anisotropic nature of the permittivity of tetragonal BaTiO3 has been investigated by means of first-principles calculations using density-functional perturbation theory and constrained-force approaches. Our calculations suggest that the origin of the anisotropy is the presence of a soft mode with very shallow double-well potential surface that results in non-frozen dipole moments parallel to the a-axes of the tetragonal crystal. Even at relatively low temperatures, the dipoles fluctuate back and forth, resulting in net zero dipole perpendicular to the c-axis in the absence of an electric field. The enormous permittivity observed experimentally parallel to the a-axis of tetragonal BaTiO3 is a consequence of the relatively large polarization induced by these small lattice distortions, together with the low energy barrier that needs to be overcome to switch to the polarized structure." @default.
• W1623875581 created "2016-06-24" @default.
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• W1623875581 date "2011-09-01" @default.
• W1623875581 modified "2023-10-16" @default.
• W1623875581 title "Anisotropic Permittivity of Tetragonal BaTiO₃: A First-Principles Study" @default.
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• W1623875581 doi "https://doi.org/10.7567/jjap.50.09ne02" @default.
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