Related papers: Strain gradient induced polarization in SrTiO3 sin…

We present a density functional theory investigation of strained Ca$_{0.5}$Sr$_{0.5}$TiO$_3$. We have determined the structure and polarization for a number of arrangements of Ca and Sr in a 2$\times$2$\times$2 supercell. The a and b…

Ferroelectric materials embedded with dielectric inclusions offer a unique platform for exploring novel topological polar textures. Using first-principles-based atomistic simulations, we investigate the polarization behavior of a BaTiO$_3$…

The properties of quantum materials are commonly tuned using experimental variables such as pressure, magnetic field and doping. Here we explore a different approach: irreversible, plastic deformation of single crystals. We show for the…

Results from dielectric and structural measurements on epitaxial SrTiO$_3$/BaZrO$_3$ superlattices reveal properties that cannot be explained simply in terms of those measured on single films of the constituent materials. For large…

In the framework of Landau--Ginzburg--Devonshire (LGD) phenomenological theory, the influence of misfit strains, surface energy, and finite-size effects on phase diagrams, polar properties, and hysteresis loops has been calculated for…

We present a study based on several advanced First-Principles methods, of the recently synthesized PbNiO3 [J. Am. Chem. Soc 133, 16920 (2011)], a rhombohedral antiferromagnetic insulator which crystallizes in the highly distorted R3c…

The control of the in-plane domain evolution in ferroelectric thin films is not only critical to understanding ferroelectric phenomena but also to enabling functional device fabrication. However, in-plane polarized ferroelectric thin films…

The ground-state structural and electronic properties of ferroelectric BiFeO$_3$ are calculated using density functional theory within the local spin-density approximation and the LSDA+U method. The crystal structure is computed to be…

Flexoelectricity phenomenon is the response of electric polarization to an applied strain gradient and is developed as a consequence of crystal symmetry in all materials. In this study, we show that the presence of strain gradient in…

The relationship between the applied elastic strain gradient and the induced electric polarization in the alpha-phase polyvinylidene fluoride (PVDF) films under bending conditions has been investigated. Our experimental studies have shown…

Recent realizations of ultrathin freestanding perovskite oxides offer a unique platform to probe novel properties in two-dimensional oxides. Here, we observed a giant flexoelectric response in freestanding BiFeO3 and SrTiO3 in their bent…

Piezoelectricity is a technologically important property of certain insulators in which mechanical strain induces an electrical polarization. However, the rate at which a piezoelectric response can be established over a macroscopic volume…

Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…

Properties of (BaTiO$_3$)$_1$/(BaZrO$_3$)$_n$ ferroelectric superlattices (SLs) with $n = {}$1--7 grown in the [001] direction are calculated from first principles within the density functional theory. It is revealed that the…

We revealed the anomalous temperature behavior of the giant dielectric permittivity and unusual frequency dependences of the pyroelectric response of the fine-grained ceramics prepared by the spark plasma sintering of the ferroelectric…

Polarization hysteresis loops, x-ray diffraction (XRD) and temperature dependent dielectric constant under different electric fields for <110> oriented 0.7 Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 single crystals were measured. The field-induced phase…

Despite fascinating experimental results, the influence of defects and elastic strains on the physical state of nanosized ferroelectrics is still poorly explored theoretically. One of unresolved theoretical problems is the analytical…

Ferroelectric domain boundaries are quasi-two-dimensional functional interfaces with high prospects for nanoelectronic applications. Despite their reduced dimensionality, they can exhibit complex non-Ising polarization configurations and…

Short and long range impurity-induced polar ordering in Sr1-xCaxTiO3 with x = 0.014 (SCT-1.4) and SrTi(16O0.0318O0.97)3 (STO-18) single crystals were investigated and discussed on the basis of the light refraction temperature dependences…

We predicted the ferroelectric-ferromagnetic multiferroic properties of EuTiO3 nanowires and generated the phase diagrams in coordinates of temperature and wire radii. The calculations were performed within the Landau-Ginzburg-Devonshire…