Quantification of crystalline texture in ferroelectric materials by polarized Raman spectroscopy using Reverse Monte Carlo modelling

Röhrig, Sören; Krautgasser, Clemens; Bermejo, Raúl; Jones, Jacob L.; Supancic, Peter; Deluca, Marco

doi:10.1016/j.jeurceramsoc.2015.08.003

Cited by 8 publications

(13 citation statements)

References 28 publications

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“…38 The excitation and detection via an objective lens with a numerical aperture of NA ¼ 0.55 might lead to leakage effects due to a k-vector distribution in the focus. 49,50 In particular, this effect may be partly responsible for some features in the A 1 -LO spectra, which are discussed in more detail below, such as peaks at 625 cm À1 or 693 cm À1 , which are close to the spectral position of very intense peaks in the A 1 -TO and B 2 -TO spectra.…”

Section: A Fundamental Spectramentioning

confidence: 98%

Identification of ferroelectric domain structure sensitive phonon modes in potassium titanyl phosphate: A fundamental study

Rüsing

Eigner

Mackwitz

et al. 2016

Journal of Applied Physics

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Confocal Raman spectroscopy is applied to identify ferroelectric domain structure sensitive phonon modes in potassium titanyl phosphate. Therefore, polarization-dependent measurements in various scattering configurations have been performed to characterize the fundamental Raman spectra of the material. The obtained spectra are discussed qualitatively based on an internal mode assignment. In the main part of this work, we have characterized z-cut periodically poled potassium titanyl phosphate in terms of polarity-and structure-sensitive phonon modes. Here, we find vibrations whose intensities are linked to the ferroelectric domain walls. We interpret this in terms of changes in the polarizability originating from strain induced by domain boundaries and the inner field distribution. Hence, a direct and 3D visualization of ferroelectric domain structures becomes possible in potassium titanyl phosphate. V

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Section: A Fundamental Spectramentioning

confidence: 98%

Identification of ferroelectric domain structure sensitive phonon modes in potassium titanyl phosphate: A fundamental study

Rüsing

Eigner

Mackwitz

et al. 2016

Journal of Applied Physics

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“…46,47 Among others, a Reverse Monte Carlo model for quantifying the texture seems reasonable to achieve ODF from the polarized Raman spectroscopy data. 48 Despite the challenges related to the analysis of Raman data for polycrystalline piezoelectric ceramics, it is reasonable to state that the experimental setup presented here can open up the possibilities to investigate the domain texture in polycrystalline ceramics under combined stress and temperature field with polarized Raman spectroscopic measurements.…”

Section: Resultsmentioning

confidence: 95%

In situ combined stress‐ and temperature‐dependent Raman spectroscopy of Li‐doped (Na,K)NbO₃

et al. 2021

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External thermal, electrical, and mechanical fields can induce structural phase transitions in lead-free Li-modified Na 0.5 K 0.5 NbO 3 ferroelectrics, which significantly influence the macroscopic electromechanical response. In particular, the relative stability of the polar monoclinic (or orthorhombic) and tetragonal phases under temperature and stress is critical to realize the ferroelectric and piezoelectric response. In this study, the effect of mechanical and thermal fields on the local structure in the vicinity of the monoclinic-tetragonal (M-T) phase boundary was investigated using a novel in situ combined uniaxial compressive stress-and temperature-dependent Raman spectroscopy experimental arrangement. Experiments were performed up to 300 • C and −200 MPa, clearly demonstrating stress-induced M-T phase transition in Li-modified Na 0.5 K 0.5 NbO 3 . A stress-temperature phase diagram has been established based on the change in vibrational modes. It was possible to correlate the relative permittivity singularities previously observed to a given stage of the M-T phase transition using ratio between characteristic Raman band areas. In addition, the measurement method reported here can be applied to other functional ceramics to investigate the influence of mechanical fields on local structure.

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“…In particular, negative values are obtained close to the axis perpendicular to poling, which is unphysical. 37 To avoid negative values of the ODF, Okai et al proposed an alternative approach by including an exponential: 93 f ODF / exp{ − [l 2 P 2 (cosu) + l 4 P 4 (cosu)]}. (7) They used this equation to investigate the domain texture in several areas of a barium titanate-based multilayer ceramic capacitor (MLCC) (cf.…”

Section: Characterisation Of Texture By Raman Spectroscopymentioning

confidence: 99%

“…This best-fitting procedure allows reproducing very well, and without unphysical results, all possible domain distributions in piezoceramics. 15,21,37 The results of the RMC model were compared with the analytical approach of equation (7) (cf. Fig.…”

Section: Characterisation Of Texture By Raman Spectroscopymentioning

confidence: 99%

“…Some definitions, however, ought to be given beforehand: The Orientation Distribution Function (ODF) is defined as a multiple of a random distribution (MRD), f ( g ), i.e., the density of domains oriented in a certain direction g with respect to the density of domains in a randomly oriented material, with g given by Euler angles ( ϕ , θ , ψ ). The ODF can be represented as discretised 37 or through analytical functions, such as spherical harmonics. 15 More details will be given in the following sections. Pole figures show the densities of a given crystallographic direction along all sample orientation directions.…”

Section: Introductionmentioning

confidence: 99%

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Microscopic texture characterisation in piezoceramics

Deluca

2016

Advances in Applied Ceramics

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In polycrystalline piezoelectric ceramics, ferroelectric domain texture is the most important parameter influencing the attainable electromechanical performance. High piezoelectric properties are obtained when the maximum poling of the material is achieved. This condition can be favoured by modifying material composition, poling routes or by proper grain texturing. Hence, it is necessary to characterise domain texture, in order to develop piezoceramics with improved performance. In this review, an outline of the methods for ferroelectric domain texture determination will be given, with focus on microscopic techniques. The advantages and complementarity of methods like X-ray and neutron diffraction, electron diffraction, and Raman spectroscopy will be highlighted.

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Quantification of crystalline texture in ferroelectric materials by polarized Raman spectroscopy using Reverse Monte Carlo modelling

Cited by 8 publications

References 28 publications

Identification of ferroelectric domain structure sensitive phonon modes in potassium titanyl phosphate: A fundamental study

Identification of ferroelectric domain structure sensitive phonon modes in potassium titanyl phosphate: A fundamental study

In situ combined stress‐ and temperature‐dependent Raman spectroscopy of Li‐doped (Na,K)NbO₃

Microscopic texture characterisation in piezoceramics

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Quantification of crystalline texture in ferroelectric materials by polarized Raman spectroscopy using Reverse Monte Carlo modelling

Cited by 8 publications

References 28 publications

Identification of ferroelectric domain structure sensitive phonon modes in potassium titanyl phosphate: A fundamental study

Identification of ferroelectric domain structure sensitive phonon modes in potassium titanyl phosphate: A fundamental study

In situ combined stress‐ and temperature‐dependent Raman spectroscopy of Li‐doped (Na,K)NbO3

Microscopic texture characterisation in piezoceramics

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Product

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In situ combined stress‐ and temperature‐dependent Raman spectroscopy of Li‐doped (Na,K)NbO₃