Related papers: Anomalous ferroelectric switching dynamics in sing…
Up to now the crystallographic structure of the magnetoelectric perovskite EuTiO3 was considered to remain cubic down to low temperature. Here we present high resolution synchrotron X-ray powder diffraction data showing the existence of a…
Observation of ferroelectricity among non-d0 systems, which was believed for a long time an unrealistic concept, led to various proposals for the mechanisms to explain the same (i.e. magnetically induced ferroelectricity) during last…
We use a combination of symmetry arguments and first-principles calculations to explore the connection between structural distortions and ferroelectricity in the perovskite family of materials. We explain the role of octahedral rotations in…
Several families of layered perovskite oxide ferroelectrics exhibit a coupling between polarization and structural order parameters, such as octahedral rotation distortions. This coupling provides opportunities for novel electric…
Due to the complex interactions between rare-earth elements and transition metals, as well as/or themselves, rare-earth transition-metal oxides are likely to exhibit highly intriguing and novel magnetic structures and dynamic behaviours.…
Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic…
The orthorhombic perovskite SrIrO3 is a semimetal, an intriguing exception in iridates where the strong spin-orbit interaction coupled with electron correlations tends to impose a novel insulating state. We report results of our…
Ferroelectric vortices formed through complex lattice-charge interactions have great potential in applications for future nanoelectronics such as memories. For practical applications, it is crucial to manipulate these topological states…
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"…
Weakly coupled ferroelectric/dielectric superlattice thin film heterostructures exhibit complex nanoscale polarization configurations that arise from a balance of competing electrostatic, elastic, and domain-wall contributions to the free…
Using first principles calculations, we determined the epitaxial-strain dependence of the ground state of the 1:1 SrCrO$_3$/SrTiO$_3$ superlattice. The superlattice layering leads to significant changes in the electronic states near the…
A complete understanding of the mechanisms for dielectric relaxation in relaxor ferroelectrics remains elusive. We used a structural refinement framework that integrates several types of experimental data to identify the nanoscale…
The instability of ferroelectric ordering in ultra-thin films is one of the most important fundamental issues pertaining realization of a number of electronic devices with enhanced functionality, such as ferroelectric and multiferroic…
Pb-based perovskites with multiple cations are fascinating materials showing various phenomena such as high piezoelectric, electromechanical, and relaxor properties. While chemical disordering accompanied by polar nanoregions and nanosized…
We explore the effect of charge carrier doping on ferroelectricity using density functional calculations and phenomenological modeling. By considering a prototypical ferroelectric material, BaTiO3, we demonstrate that ferroelectric…
Multiferroic materials open up the possibility to design novel functionality in electronic devices, with low energy consumption. However, there are very few materials that show multiferroicity at room temperature, which is essential to be…
The 5d-electron based BaIrO3 is a nonmetallic weak ferromagnet with a Curie temperature at Tc=175 K. Its largely extended orbitals generate strong electron-lattice coupling, and magnetism and electronic structure are thus critically linked…
Despite their ionic nature, many layered diatomic crystals avoid internal electric polarization by forming a centrosymmetric lattice at their optimal anti-parallel van-der-Waals stacking. Here, we report a stable ferroelectric order…
LiOsO$_3$ is the first example of a new class of material called a ferroelectric metal. We performed zero-field and longitudinal-field $\mu$SR, along with a combination of electronic structure and dipole field calculations, to determine the…
We propose a method of controlling the metal-insulator transition of one perovskite material at its interface with a another ferroelectric material based on first principle calculations. The operating principle is that the rotation of…