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33 results for “ferroelectric”
Impact of defects on the phase diagram and field response of ferroelectric (Ba,Sr)TiO3
<p>This repository contains the simulation results for (Ba,Sr)TiO3 using coarse-grained molecular dynamics package <a title="Feram" href="https://loto.sourceforge.net/feram/" target="_blank" rel="noopener">Feram</a>.</p> <p>These data can be visualized with scripts in the <a href="https://gitlab.ruhr-uni-bochum.de/tengssh/p1-defect_study/" target="_blank" rel="noopener">RUB gitlab</a> repository and are supplementary for an associated publication.<br>The publication link will be provided after publishing.</p> <p>All files (1: data.avg, 2: *.dipoRavg, 3: *.coord, 4: *.hl, 5: *.defects) use the space-separated format.</p> <p>(1) data.avg columns:<br>T: temperature in Kelvin<br>Ex Ey Ez: external_E_field along x,y,z in V/Angstrom.<br>exx eyy ezz eyz ezx exy: strain tensor<br>ux uy uz: dipole displacements in Angstrom<br>uxux uyuy uzuz uyuz uzux uxuy: cross-terms of dipole displacements in Angstrom^2<br>dk: dipo_kinetic in eV/u.c.<br>lr: long_range in eV/u.c.<br>dEf: dipole_E_field in V/Angstrom<br>unhar: unharmonic in eV/u.c.<br>s_ho: homo_strain in eV/u.c.<br>c_ho: homo_coupling in eV/u.c.<br>s_inho: inho_strain in eV/u.c.<br>c_inho: inho_coupling in eV/u.c.<br>etot: total energy in eV/u.c.<br>HNP: H_Nose_Poincare in eV/u.c.<br>e2: e2<br>dkt: dipo_kinetic_true in eV/u.c.<br>ak: acuou_kinetic in eV/u.c.<br>sr: short_range in eV/u.c.<br>mod: inho_modulation in eV/u.c.<br>px py pz: px py pz<br>ppx ppy ppz ppyz ppzx ppxy: ppx ppy ppz ppyz ppzx ppxy<br>mx my mz: <ux>, <uy>, <uz> in Angstrom<br>amx amy amz: <|ux|>, <|uy|>, <|uz|> in Angstrom</p> <p>(2) *.dipoRavg columns:<br>x y z: coordinates<br>ux uy uz: dipole displacements in Angstrom</p> <p>(3) *.coord columns:<br>x y z: coordinates<br>ux uy uz: dipole displacements in Angstrom<br>ppx ppy ppz: dipoP<br>ddx ddy ddz: dVddi<br>arx ary arz: acouR<br>apx apy apz: acouP</p> <p>(4) *.hl columns:<br>step: timestep<br>T: temperature in Kelvin<br>Ex Ey Ez: external_E_field in V/Angstrom <br>exx eyy ezz eyz ezx exy: strain tensor<br>ux uy uz: dipole displacements in Angstrom</p> <p>(5) *.defects columns:<br>x y z: coordinates<br>ux uy uz: dipole displacements in Angstrom</p> <p><br><br></p>
Ferroelectricity in a nematic liquid crystal under a direct current electric field - dataset
<p>The presented data were used in the following publication: Mrukiewicz, M., Perkowski, P., Karcz, J. & Kula, P. Ferroelectricity in a nematic liquid crystal under a direct current electric field. Phys. Chem. Chem. Phys. 25, 13061–13071 (2023).</p>
Dataset for Co-substituted BiFeO3: thermodynamic, electronic and ferroelectric properties from first principles
<p>Data files related to the publication<em><strong> Co-substituted BiFeO<sub>3</sub>: thermodynamic, electronic and ferroelectric properties from first principles</strong></em>. The paper is yet to be submitted. The dataset includes, (i) VASP input/output files for electronic structure and polarization calculations and (ii) GULP files for the thermodynamic study. </p>
Ultra-low-power Edge Detection Based on Ferroelectric Field Effect Transistor (data and code)
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Data from: Doping induced dielectric anomaly below the Curie temperature in molecular ferroelectric diisopropylammonium bromide
A dielectric anomaly induced by doping has been observed at about 340 K in chlorine doped diisopropylammonium bromide (DIPAB-C). The dielectric anomaly has a switchable behavior, which indicates potential applications on switches and sensors. Temperature dependent Raman spectrum, X-ray diffraction and DSC do not show any anomaly around the dielectric anomaly temperature, which prove that the dielectric anomaly does not come from structure phase transition and has no specific heat variety. It is assumed that this relaxation process can be attributed to the freezing of ferroelectric domain walls induced by the pinning of point defects.
Supporting data of Electrocaloric induced retarded ferroelectric switching
<p>Supporting data of the publication Electrocaloric induced retarded ferroelectric switching</p>
Data from: Doping induced dielectric anomaly below the Curie temperature in molecular ferroelectric diisopropylammonium bromide
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Figure 1 from: Yilmaz H (2020) Ferroelectric-Semiconductor Solar Cells: An Alternative Configuration With High-Efficiency. Research Ideas and Outcomes 6: e50013. https://doi.org/10.3897/rio.6.e50013
Figure 1 Illustration of the proposed solar cell.
Domain-dependent strain and stacking in two-dimensional van der Waals ferroelectrics
<p>The sample is PVD growth 2D vdW ferroelectric SnSe (Chiu, M. <i>et al.</i> <i>Adv. Electron. Mater.</i> <strong>9</strong>, (2023)). The datasets were collected by electron microscope pixel array detector (EMPAD) under the condition described in this paper (Shi, C. <i>et al.</i> <i>Nat. Commun.</i> <strong>14</strong>, 7168 (2023)). The data analysis code is available in https://github.com/Chuqiao2333/2D_ferroelectric_SnSe </p>
Raw data for Reservoir computing on silicon platform with a ferroelectric field-effect transistor
<p>Raw data of publication "Reservoir computing on silicon platform with a ferroelectric field-effect transistor"</p>
Data of "Spatially selective crystallization of ferroelectric Hf0.5Zr0.5O2 films induced by sub-nanosecond laser annealing"
<p>Data of the publication "Spatially selective crystallization of ferroelectric Hf0.5Zr0.5O2 films induced by sub-nanosecond laser annealing"</p> <p>We acknowledge financial support from Spanish Agencia Estatal de Investigación through grants PID2020-112914RB-I00 and PID2020-113034RB-I00 funded by MCIN/AEI/10.13039/501100011033, and from Gobierno de Aragón (research groups T54_23R and E28_23R).</p>
Data from Imaging and structure analysis of ferroelectric domains, domain walls, and vortices by scanning electron diffraction
<p><strong>Direct electron detectors in scanning transmission electron microscopy give unprecedented possibilities for structure analysis at the nanoscale. In electronic and quantum materials, this new capability gives access to, for example, emergent chiral structures and symmetry-breaking distortions that underpin functional properties. Quantifying nanoscale structural features with statistical significance, however, is complicated by the subtleties of dynamic diffraction and coexisting contrast mechanisms, which often results in low signal-to-noise and the superposition of multiple signals that are challenging to deconvolute. Here we apply scanning electron diffraction to explore local polar distortions in the uniaxial ferroelectric Er(Mn,Ti)O<sub>3</sub>. Using a custom-designed convolutional autoencoder with bespoke regularization, we demonstrate that subtle variations in the scattering signatures of ferroelectric domains, domain walls, and vortex textures can readily be disentangled with statistical significance and separated from extrinsic contributions due to, e.g., variations in specimen thickness or bending. The work demonstrates a pathway to quantitatively measure symmetry-breaking distortions across large areas, mapping structural changes at interfaces and topological structures with nanoscale spatial resolution.</strong></p>
A ferroelectric liquid crystal confined in cylindrical nanopores: reversible smectic layer buckling, enhanced light rotation and extremely fast electro-optically active Goldstone excitations
<p>The orientational and translational order of a thermotropic ferroelectric liquid crystal (2MBOCBC) imbibed in self-organized, parallel, cylindrical pores with radii of 10, 15, or 20 nm in anodic aluminium oxide monoliths (AAO) are explored by high-resolution linear and circular optical birefringence as well as neutron diffraction texture analysis. The results are compared to experiments on the bulk system. The native oxidic pore walls do not provide a stable smectogen wall anchoring. By contrast, a polymeric wall grafting enforcing planar molecular anchoring results in a thermal-history independent formation of smectic C* helices and a reversible chevron-like layer buckling. An enhancement of the optical rotatory power by up to one order of magnitude of the confined compared to the bulk liquid crystal is traced to the pretransitional formation of helical structures at the smectic-A*-to-smectic-C* transformation. A linear electro-optical birefringence effect evidences collective fluctuations in the molecular tilt vector direction along the confined helical superstructures, <em>i.e.</em> the Goldstone phason excitations typical of the para-to-ferroelectric transition. Their relaxation frequencies increase with the square of the inverse pore radii as characteristic of plane-wave excitations and are two orders of magnitude larger than in the bulk, evidencing an exceptionally fast electro-optical functionality of the liquid-crystalline-AAO nanohybrids.</p>
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International Brain Laboratory public data
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