Related papers: Polarization Rotation, Switching and E-T phase dia…
A pseudospin model for description of the influence of the electric field, confined to the plane of sublattice polarization, on the two-dimensional squaric acid antiferroelectrics is developed. The system behavior is analyzed in terms of…
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…
We use molecular dynamics simulations with machine-learned atomistic force fields to simulate photoexcitation of BaTiO3 by a femtosecond laser pulse whose photon energy exceeds the optical gap. We demonstrate selective displacive excitation…
Active thermal management requires advances in thermal switching materials, whose thermal conductivity responds to external stimuli. The electric field, as one of the most convenient and effective stimuli, has shown great potential in…
Many ferroelectric solid solutions exhibit enhanced electro-mechanical properties at the morphotropic boundary separating two phases with different orientations of polarization. The mechanism of properties enhancement is associated with…
Electric-field driven magnetization switching in FePt/BaTiO$_3$ (001) is demonstrated through first-principles calculations. The magnetic easy axis of FePt layer undergoes a transition from in-plane to perpendicular direction upon…
Electric field plays an important role in ferroelectric phase transition. There have been numerous phase field formulations attempting to account for electrostatic interactions subject to different boundary conditions. In this paper, we…
Under a sufficiently high applied electric field, a non-polar antiferroelectric material, such as \ce{PbZrO3}, can undergo a rapid transformation to a polar ferroelectric phase. While this behavior is promising for energy storage and…
Fluorite ferroelectrics are exciting candidates for next-generation non-volatile memory devices because their unique ferroelectric mechanism, which arises from unconventional oxygen displacements, permits ferroelectricity with minimal…
<001> oriented 0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 single crystals were poled under different electric fields, i.e. Epoling=4 kV/cm and Epoling=13 kV/cm. In addition to the temperature-dependent dielectric constant measurement, X-ray diffraction…
This paper reports on the temperature evolution of local elastic interactions between ferromagnetic CoFe films and ferroelectric BaTiO3 substrates. Polarization microscopy measurements indicate that growth-induced stripe domains in the CoFe…
We describe ferroelectric thin films with circular electrodes and develop a thermodynamic theory that explains previously mysterious experiments. It is found to be especially useful for restricted geometries such as microstructures for…
We have constructed the surface phase diagram of the BaTiO$_{3}$(001) surface by employing an evolutionary algorithm for surface structure prediction, where the ferroelectric polarization is included as a degree of freedom. Among over 1000…
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…
In this work we use a phenomenological theory of ferroelectric switching in BiFeO$_3$ thin films to uncover the mechanism of the two-step process that leads to the reversal of the weak magnetization of these materials. First, we introduce a…
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…
We investigate the oxygen octahedral rotations that occur in two perovskites, SrTiO3 and PbTiO3, as a function of applied three-dimensional electric displacement field, allowing us to map out the phase diagram of rotations in both the…
Understanding ferroelectricity is of both fundamental and technological importance to further stimulate the development of new materials designs and manipulations. Here, we perform an in-depth first-principle study on the well-known…
In ferroelectricity, atomic-scale dipole moments interact collectively to produce strong electro-mechanical coupling and switchable macroscopic polarization. Hence, the functionality of ferroelectrics emerges at a solid-solid phase…
Ferroelectric materials are the core of common technologies, such as medical ultrasound, mobile-phone antennae and low-power memory devices. The technological interest in ferroelectrics stems from the existence of switchable mesoscale…