Related papers: Toroidal ferroelectricity in PbTiO3 nanoparticles
An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…
We investigate the role of electric toroidal dipoles in the prototypical ferroaxial materials NiTiO$_3$ and K$_2$Zr(PO$_4$)$_2$, which undergo ferroaxial structural phase transitions of order-disorder and displacive type, respectively.…
In the framework of the Landau-Ginzburg-Devonshire approach coupled with electrostatic equations, we performed finite element modeling of the polarization behavior in a ferroelectric barium titanate core covered with a tunable paraelectric…
We report that ice nanotubes with odd number of side faces inside carbon nanotubes exhibit spontaneous electric polarization along its axes direction by using molecular dynamics simulations. The mechanism of this nanoscale…
Ferroelectric films usually have phase states and physical properties very different from those of bulk ferroelectrics. Here we propose free-standing ferroelectric-elastic multilayers as a bridge between these two material systems. Using a…
The coexistence of ferroelectric and ferromagnetic properties at room temperature is very rarely observed. We have been successful in converting ferroelectric PbTiO3 into a magnetoelectric material by partly substituting Fe at the Ti site.…
We studied the ferroelectric and ferromagnetic properties of compressive strained and unstrained BiMnO3 thin films grown by rf-magnetron sputtering. BiMnO3 samples exhibit a 2D cube-on-cube growth mode and a pseudo-cubic struc-ture up to a…
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…
We reveal the visible influence of the ultra-small concentrations (1 wt.% or less) of the BaTiO3 nanoparticles (average size 24 nm) on the current-voltage characteristics and capacitance of the dielectric liquid crystal (LC) 5CB. The pure…
In this study, we investigate the formation of electron and hole small polarons in the prototypical ferroelectric material BaTiO3, with a focus on their interaction with ferroelectric distortive fields. To accurately describe the…
The ability to controllably manipulate the complex topological polar configurations, such as polar flux-closure via external stimuli, enables many applications in electromechanical devices and nanoelectronics including high-density…
First-principles calculations were performed to investigate the ferroelectric properties of barium titanate and bismuth ferrite, as well as phonon dispersion of BaTiO3, using density functional theory and density functional perturbation…
We propose the thermodynamical theory of nanodomain tailoring with the help of atomic force microscope electric field in thin ferroelectric-semiconductor films. We modified the existing thermodynamical models of domain formation allowing…
The coexistence of ferroelectric and topological orders in two-dimensional (2D) atomic crystals allows non-volatile and switchable quantum spin Hall states. Here we offer a general design principle for 2D bilayer heterostructures that can…
The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multi-state data storage. Although multiferroics have been broadly…
Two-dimensional electron gas due to semiconductor interfaces can have high mobility and exhibits superconductivity, magnetism, and other exotic properties that are unexpected in constituent bulk materials. We study crystal structures,…
The exotic topological domains in ferroelectrics and multiferroics have attracted extensive interest in recent years due to their novel functionalities and potential applications in nanoelectronic devices. One of the key challenges for such…
We present a first-principles study of model domain walls (DWs) in prototypic ferroelectric PbTiO3. At high temperature the DW structure is somewhat trivial, with atoms occupying high- symmetry positions. However, upon cooling the DW…
For decades it has been a well-known fact that among the few ferroelectric compounds in the perovskite family namely BaTiO3, KNbO3, PbTiO3 Na1/2Bi1/2TiO3 the dielectric and piezoelectric properties of BaTiO3 is considerably higher than the…
Magnetic spin topological textures recently found their electrical counterparts in polar topologies emerging from the condensation of inhomogeneous polar atomic distortions. Here, we further extend the concept to other non-polar atomic…