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Origins of large enhancement in electromechanical coupling for nonpolar directions in ferroelectric BaTiO3

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 Added by Abhijit Pramanick
 Publication date 2013
  fields Physics
and research's language is English




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The origins of enhanced piezoelectric coupling along nonpolar crystallographic directions in ferroelectric BaTiO3 are investigated using in situ neutron spectroscopy. It is observed that an electric field applied away from the equilibrium polarization direction causes changes in the phonon spectra that lead to an increase in the interaction between the transverse acoustic and transverse optic branches (TA-TO) near the Brillouin zone center. This provides a direct lattice dynamics mechanism for enhanced electromechanical coupling, and could act as a guide for designing improved piezoelectric materials.



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The effect of Sr doping in BaTiO3 (BTO) with nominal compositions Ba0.80Sr0.20TiO3 (BSTO) have been explored in its structural, lattice vibration, dielectric, ferroelectric and electrocaloric properties. The temperature dependent dielectric results elucidate the enhancement in dielectric constant and exhibit three frequency independent transitions around 335, 250 and 185 K which are related to different structural transitions. All these transitions occur at lower temperature as compared with pristine BTO, however; remnant electric polarization (P) of BSTO is much higher than in BTO. The value of P is around 5 microC/cm2 at room temperature and the maximum P around 8 microC/cm2 is observed at tetragonal to orthorhombic and orthorhombic to rhombohedral transitions. The electro-caloric effect shows the maximum adiabatic change in temperature deltaT approx 0.24 K at cubic to tetragonal transition. The temperature dependent synchrotron X-ray diffraction and Raman results shows correlations between P, crystal structure and lattice vibrations. Our results demonstrate the enhancement in ferroelectric properties of BTO with Sr doping. The origin of the enhancement in ferroelectric property is also discussed which is related to the appearance of superlattice peak around room temperature due to TiO6 octahedral distortion. These enhanced properties would be useful to design lead free high quality ferroelectric and piezoelectric materials.
In contrast to the Pb-based magnetoelectric laminates (MELs), we find in the BaTiO3 and NiFe2O4 laminates (number of layers n = 5-25) that the longitudinal magnetoelectric (ME) voltage coefficient Alpha E33 becomes much larger than the transverse one due to preferential alignment of magnetic moments along the NiFe2O4 plane. Moreover, upon decreasing each layer thickness down to 15 um, we realize enhanced Alpha E33 up to 18 mV/ (cm Oe) and systematic increase of the ME sensitivity in proportion to n to achieve the largest in the Pb-free MELs (400*10^-6V/Oe), thereby providing pathways for tailoring ME coupling in mass-produced, environment friendly laminates.
We report on growth and ferroelectric (FE) properties of superlattices (SLs) composed of the FE BaTiO3 and the paraelectric (PE) CaTiO3. Previous theories have predicted that the polarization in (BaTiO3)n/(CaTiO3)n SLs increases as the sublayer thickness (n) increases when the same strain state is maintained. However, our BaTiO3/CaTiO3 SLs show a varying lattice-strain state and systematic reduction in polarization with increasing n while coherently-strained SLs with n=1, 2 show a FE polarization of ca. 8.5 uC/cm^2. We suggest that the strain coupling plays more important role in FE properties than the electrostatic interlayer coupling based on constant dielectric permittivities.
197 - C. A. F. Vaz 2008
Analytical expressions for the magnetoelastic anisotropy constants of cubic magnetic systems are derived for rectangular and oblique distortions originating from epitaxial growth on substrates with lower crystal symmetry. In particular, the temperature variation of the magnetic properties of magnetic films grown on barium titanate (BaTiO3) substrates are explained in terms of strain-induced magnetic anisotropies caused by the temperature dependent phase transitions of BaTiO3. Our results quantify the experimental observations in ferromagnet/bto-based structures, which have been proposed as templates for magnetoelectric composite heterostructures.
Recent works suggest that the surface chemistry, in particular, the presence of oxygen vacancies can affect the polarization in a ferroelectric material. This should, in turn, influence the domain ordering driven by the need to screen the depolarizing field. Here we show using density functional theory that the presence of oxygen vacancies at the surface of BaTiO3 (001) preferentially stabilizes an inward pointing, P-, polarization. Mirror electron microscopy measurements of the domain ordering confirm the theoretical results.
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