Generarized Cubic Model for BaTiO3-like Ferroelectric Substance

Ferroelectric-like metallic state in electron doped BaTiO3

We report that a ferroelectric-like metallic state with reduced anisotropy of polarization is created by the doping of conduction electrons into BaTiO3, on the bases of x-ray/electron diffraction and infrared spectroscopic experiments. The crystal structure is heterogeneous in nanometer-scale, as enabled by the reduced polarization anisotropy. The enhanced infrared intensity of soft phonon alon...

Periodic Slab LAPW Computations for Ferroelectric BaTiO3

Linearized augmented plane wave (LAPW) calculations are performed for periodic (001) and (111) slabs of BaTiO3 to understand the effects of surfaces on ferroelectric BaTiO3. The (111) slab is found to be much less stable than the (001) slab. The average surface energies are respectively 3700 erg/cm and 1600 erg/cm. The depolarization field is sufficiently large in the ideal unrelaxated slab to ...

The ferroelectric and cubic phases in BaTiO3 ferroelectrics are also antiferroelectric.

Using quantum mechanics (QM, Density Functional Theory) we show that all four phases of barium titanate (BaTiO(3)) have local Ti distortions toward 111 (an octahedral face). The stable rhombohedral phase has all distortions in phase (ferroelectric, FE), whereas higher temperature phases have antiferroelectric coupling (AFE) in one, two, or three dimensions (orthorhombic, tetragonal, cubic). Thi...

Inverse barocaloric effects in ferroelectric BaTiO3 ceramics

Phase-field modeling of switchable diode-like current-voltage characteristics in ferroelectric BaTiO3

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