Related papers: BaTiO3 thin films as transitional ferrroelectrics …
The site-doping strategy of barium titanate (BaTiO3) is a promising way to develop new lead-free materials for energy with enhanced dielectric and piezoelectric properties. A novel strategy to elaborated pure and crystalline…
Bulk BiMnO$_3$ is the only transition-metal perovskite oxide that is insulating and shows strong ferromagnetism. This distinctive behavior would make it a promising candidate as a magnetoelectric multiferroic if it was also a polar…
The influence of the flexoelectric and rotostriction coupling on the phase diagrams of ferroelastic-quantum paraelectric SrTiO3 films was studied using Landau-Ginzburg-Devonshire (LGD) theory. The phase diagrams in coordinates temperature -…
BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…
Thermodynamic theory is developed for the ferroelectric phase transition of an ultrathin film in equilibrium with a chemical environment that supplies ionic species to compensate its surface. Equations of state and free energy expressions…
Ferroelectric materials display exotic polarization textures at the nanoscale that could be used to improve the energetic efficiency of electronic components. The vast majority of studies were conducted in two dimensions on thin films, that…
We report modifications of the ferroelectric and electrocaloric properties of BaTiO$_3$ by defects. For this purpose, we have combined \textit{ab initio}-based molecular dynamics simulations with a simple model for defects. We find that…
This study presents a computational framework to investigate and predict the complicated multiphase properties of eco-friendly lead-free piezoelectric materials, which are crucial for sustainable technological progress. Although their…
Low temperature properties of BaZrO3 are revealed by combining experimental techniques (X-ray diffraction, neutron scattering and dielectric measurements) with theoretical first-principles-based methods (total energy and linear response…
Ferroelectric soft mode properties in ceramics and thin films are reviewed and compared with single crystals. In general, the permittivity in ceramics and thin films is markedly reduced compared to the single crystals mainly because of…
Bulk LiOsO3 was experimentally identified as a "ferroelectric" metal where polar distortions coexist with metallicity [Shi et al., Nature Materials 12, 1024 (2013)]. It is generally believed that polar displacements in a "ferroelectric"…
Ferroelectric charged domain walls are known for their high electrical conductivity, making them promising candidates for applications in modern electronics. A remarkably high conductivity and nominal charge density has been found in the…
A theoretical analysis of the internal structure of interphase boundaries separating domains of coexisting phases are presented for the perovskite ferroelectric BaTiO3. The temperature dependence of interphase boundary widths and surface…
Freestanding ferroelectric membranes are promising for flexible electronics, nonvolatile memory, photonics, and spintronics, but their synthesis is challenged by the need for reproducibility with precise stoichiometric control. Here, we…
Ferroelectric BiFeO3 thin films and artificial superlattices of (BiFeO3)m(SrTiO3)m (m~ 1 to 10 unit cells) were fabricated on (001)-oriented SrTiO3 substrates by pulsed laser ablation. The variation of leakage current and macroscopic…
Integrating multiple properties in a single system is crucial for the continuous developments in electronic devices. However, some physical properties are mutually exclusive in nature. Here, we report the coexistence of two seemingly…
Ferroelectric thin films under epitaxial strain exhibit a variety of vortex-like topological polarization textures. To analyze them, we build on the Ginzburg-Landau-Devonshire framework and extend the previously introduced soft-domain…
The solid solution 0.5Ba(Ti0.8Zr0.2)O3-0.5(Ba0.7Ca0.3)TiO3 (BCZT) is a promising lead-free piezoelectric material with exceptionally high piezoelectric coefficients. The strong response is related to structural instabilities close to…
Many dipolar topological structures have been experimentally demonstrated in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices, such as flux-closure, vortice, and skyrmion. In this work, we employ deep potential molecular dynamics (MD) to…
Deterministic polarization reversal in ferroelectric and multiferroic films is critical for their exploitation in nanoelectronic devices. While ferroelectricity has been studied for nearly a century, major discrepancies in the reported…