${\mathrm{LiTaO}}_{3}$ and ${\mathrm{LiNbO}}_{3}$ crystals are investigated here in a combined experimental and theoretical study that uses Raman spectroscopy in a complete set of scattering geometries and corresponding density-functional theory calculations to provide microscopic information on their vibrational properties. The Raman scattering efficiency is computed from first principles in order to univocally assign the measured Raman peaks to the calculated eigenvectors. Measured and calculated Raman spectra are shown to be in qualitative agreement and confirm the mode assignment by Margueron et al. [J. Appl. Phys. 111, 104105 (2012)], thus finally settling a long debate. While the two crystals show rather similar vibrational properties overall, the ${\text{E-TO}}_{9}$ mode is markedly different in the two oxides. The deviations are explained by a different anion-cation bond type in ${\mathrm{LiTaO}}_{3}$ and ${\mathrm{LiNbO}}_{3}$ crystals.

Raman scattering efficiency in LiTaO 3 and LiNbO 3 crystals

In this work we demonstrate the abilities of micro-Raman imaging in the study of ferroelectric domains and present its application to visualization of micro-scale periodical domain structures and nano-domains induced by laser irradiation in lithium niobate.

Raman visualization of micro- and nanoscale domain structures in lithium niobate

Low-temperature Raman study of (001)-oriented PrFeO3 thin film of around 200 nm thickness deposited on a LaAlO3 (001) substrate by using the pulsed-laser deposition technique is presented. X-ray diffraction analysis of this film shows an orthorhombic structure with Pbnm space group. The observed substrate-induced strain is found to be small. In the room temperature Raman spectra, different Raman modes were observed that were classified according to the orthorhombic structure. All the observed modes show a decrease in wavenumber with rise in temperature, except the B1g mode (624 cm−1) which shows some anomalous behavior. We tried to correlate the variations in linewidth and position with temperature for the observed modes with the octahedral disorder of FeO6. Many possibilities are presented to explain the observed results. Copyright © 2010 John Wiley & Sons, Ltd.

Temperature-dependent Raman study of PrFeO3thin film

Different aspects of ferroelectric LiTaO3 (LT) such as polaronic defects, optical response and electrical conductivity are investigated by the most recent theoretical and experimental approaches. Comparing the results with the state-of-the-art knowledge of the widely studied LiNbO3 (LN), we evaluate the general assumption that there is little difference between the aforementioned properties of LT and LN. First-principles calculations reveal the existence of point defects in LT qualitatively compatible with the polaronic picture established in LN. Though, peculiar differences with respect to the individual binding energies and polaronic deformation can be revealed. Accordingly, (sub-)picosecond transient absorption measurements show pronounced differences in the kinetics in the sub-ps time domain of small polaron formation and, even more pronounced, in the long-term evolution identified with small polaron hopping. In contrast, (sub-)ps transient luminescence, attributed to the relaxation of self-trapped excitons in LN, shows very similar kinetics. Electrical conductivity measurements are performed in air as function of temperature. Up to about 600 °C they demonstrate similar temperature dependence for the two materials, from which rather comparable activation energies can be extracted. However, in the high-temperature range from about 600 °C to 920 °C both materials show noticeable differences. The results suggest that the fundamental microscopic understanding of LN can be in part transferred to LT. However, due to differences in structure, energetic landscape and temperature behavior, discrepancies between the two materials bear a striking potential for novel applications, even at high temperatures.

/pdf/evaluation-of-similarities-and-differences-of-litao3-and-suljqrlaxu.pdf

Evaluation of similarities and differences of LiTaO3 and LiNbO3 based on high-T-conductivity, nonlinear optical fs-spectroscopy and ab initio modeling of polaronic structures

The combination of strain and electrostatic engineering in epitaxial heterostructures of ferroelectric oxides offers many possibilities for inducing new phases, complex polar topologies, and enhanced electrical properties. However, the dominant effect of substrate clamping can also limit the electromechanical response and often leaves electrostatics to play a secondary role. Releasing the mechanical constraint imposed by the substrate can not only dramatically alter the balance between elastic and electrostatic forces, enabling them to compete on par with each other, but also activates new mechanical degrees of freedom, such as the macroscopic curvature of the heterostructure. In this work, an electrostatically driven transition from a predominantly out‐of‐plane polarized to an in‐plane polarized state is observed when a PbTiO3/SrTiO3 superlattice with a SrRuO3 bottom electrode is released from its substrate. In turn, this polarization rotation modifies the lattice parameter mismatch between the superlattice and the thin SrRuO3 layer, causing the heterostructure to curl up into microtubes. Through a combination of synchrotron‐based scanning X‐ray diffraction imaging, Raman scattering, piezoresponse force microscopy, and scanning transmission electron microscopy, the crystalline structure and domain patterns of the curved superlattices are investigated, revealing a strong anisotropy in the domain structure and a complex mechanism for strain accommodation.

/pdf/electrostatically-driven-polarization-flop-and-strain-145t6qd2.pdf

Electrostatically Driven Polarization Flop and Strain‐Induced Curvature in Free‐Standing Ferroelectric Superlattices

Residual stress estimation in ferroelectric PbTiO 3 thin films by Raman spectroscopy

Phase transitions and domain state transformations in a 250 nm thick PbTiO3/SrTiO3 film with c/a/c/a domain structure were investigated by temperature-dependent x-ray diffraction and Raman spectroscopy. Both techniques provide evidence that the film remains tetragonal up to 650 °C, while the bulk sample becomes cubic at 490 °C. Small anomalies in the width of both Bragg peaks and in Raman modes suggest a subtle structural rearrangement around 500 °C.

/pdf/stability-of-the-polydomain-state-in-epitaxial-ferroelectric-1ozatzvzft.pdf

Stability of the polydomain state in epitaxial ferroelectric PbTiO3 films

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Residual stress estimation in ferroelectric PbTiO 3 thin films by Raman spectroscopy

Stability of the polydomain state in epitaxial ferroelectric PbTiO3 films