Related papers: Electric Field-Induced Phase Transitions and Hyste…
The driving of vibrational motion by external electric fields is a topic of continued interest, due to the possibility of assessing new or metastable material phases with desirable properties. Here, we combine ab initio molecular dynamics…
The discovery of two-dimensional (2D) ferroelectrics with switchable out-of-plane polarization such as monolayer $\alpha$-In$_2$Se$_3$ offers a new avenue for ultrathin high-density ferroelectric-based nanoelectronics such as ferroelectric…
With the advent of increasingly elaborate experimental techniques in physics, chemistry and materials sciences, measured data are becoming bigger and more complex. The observables are typically a function of several stimuli resulting in…
The discovery of ferroelectricity in HfO$_2$-based thin films opens up new opportunities for using this silicon-compatible ferroelectric to realize low-power logic circuits and high-density non-volatile memories. The functional performances…
Ferroelectric materials with switchable spontaneous polarization underpin non-volatile memories, transistors, sensors, and emerging neuromorphic chips. Their performance and stability are governed by polarization dynamics and domain…
<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…
Emergent functionalities of structural and topological defects in ferroelectric materials underpin an extremely broad spectrum of applications ranging from domain wall electronics to high dielectric and electromechanical responses. Many of…
Simulating finite temperature phase transitions from first-principles is computationally challenging. Recently, molecular dynamics (MD) simulations using machine-learned force fields (MLFFs) have opened a new avenue for finite-temperature…
Description of domains switching processes in crystalline ferroelectrics by means of relaxation type equations with account of variable external electric field is proposed. Exact solution of these equations in closed analytical form at…
The advances of machine-learned force fields have opened up molecular dynamics (MD) simulations for compounds for which ab-initio MD is too resource-intensive and phenomena for which classical force fields are insufficient. Here we describe…
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…
Understanding electrochemical interfaces at a microscopic level is essential for elucidating important electrochemical processes in electrocatalysis, batteries and corrosion. While \textit{ab initio} simulations have provided valuable…
The kinetic theory of switching processes in crystalline ferroelectric materials under the influence of a variable external electric field is formulated. The basic equations are derived and their exact analytical solution at arbitrary…
Ferroelectrics and antiferroelectrics are the electric counterparts of ferromagnets and antiferromagnets. These materials undergo temperature- and electric-field-induced phase transitions that give rise to their characteristic hysteresis…
The unexpected emergence of ferroelectricity in HfO2 at reduced dimensions has attracted considerable attention, as it provides a pathway toward the realization of ultrasmall ferroelectric devices. Ab initio calculations suggest that this…
We show that a ferro-electric quantum phase transition can be driven by the dipolar interaction of polar molecules in the presence a micro-wave field. The obtained ferro-electricity crucially depends on the harmonic confinement potential,…
We analyze a system of polar molecules in a one-dimensional optical lattice. By controlling the internal structure of the polar molecules with static electric and microwave fields, we demonstrate the appearance of a quantum phase transition…
We use molecular dynamics simulations to understand the mechanisms of polarization switching in ferroelectric BaTiO$_3$ achieved with external electric field. For tetragonal and orthorhombic ferroelectric phases, we determine the switching…
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…
Molecular ferroelectrics have captured immense attention due to their superiority over inorganic oxide ferroelectrics, such as environmentally friendly, low-cost, flexible, foldable. However, the mechanisms of ferroelectric switching and…