Related papers: Ferroelectricity at ferroelectric domain walls
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…
Natural interfaces in ferroic oxides have developed into versatile playgrounds for studying electronic correlation effects in 2D systems. The microscopic origin of the emergent local electronic properties is often debated, however, as…
Ferroelectric domain wall motion is fundamental to the switching properties of ferroelectric devices and is influenced by a wide range of factors including spatial disorder within the material and thermal noise. We build a…
Ferroelectric domain walls are planes within an insulating material that can accumulate and conduct charge carriers, hence the interaction of the domain walls with the charge carriers can be important for photovoltaic and other electronic…
With the development of ferroelectric memories, it is becoming increasingly important to understand the ferroelectric switching behaviors at small applied electric fields. In this \rv{paper}, we use discretized phase-field models to…
The advent of wurtzite ferroelectrics is enabling a new generation of ferroelectric devices for computer memory that has the potential to bypass the von Neumann bottleneck, due to their robust polarization and silicon compatibility.…
An effective Hamiltonian for the ferroelectric transition in PbTiO3 is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…
Surprisingly little is known about the microscopic processes that govern ferroelectric switching in orthorhombic ferroelectrics. To study microscopic switching processes we combine ab initio-based molecular dynamics simulations and data…
A promising mechanism for achieving colossal dielectric constants is to use insulating internal barrier layers, which typically form during synthesis and then remain in the material. It has recently been shown that insulating domain walls…
The structural and polar properties of BiFeO3 at finite temperature are investigated using an atomistic shell model fitted to first-principles calculations. Molecular Dynamics simulations show a direct transition from the low-temperature…
The symmetry of boundaries between ferroelectric, ferroelastic and antiphase domains is a key element for a theoretical understanding of their properties. Here, we derive this symmetry from their organic relation to the symmetry of the…
The first switchable electric polarization in metals was recently discovered in bilayer and trilayer WTe2. Strangely, despite the tininess of the ordered polarization, the ferroelectricity survives up to 350 K, rendering the mechanism of…
We present the first analytical study of stability loss and evolution of domain structure in inhomogeneous ferroelectric samples for exactly solvable model. The model assumes a short-circuited capacitor with two regions with slightly…
Transition metal oxides hold great potential for the development of new device paradigms because of the field-tunable functionalities driven by their strong electronic correlations, combined with their earth abundance and environmental…
Domain walls are of increasing interest in ferroelectrics because of their unique properties and potential applications in future nanoelectronics. However, the thickness of ferroelastic domain walls remains elusive due to the challenges in…
A fundamentally intriguing yet not well understood topic in the field of ferroelectrics is the collective excitation of domain walls (DWs), with potential applications to DW-based nanoelectronic and optoelectronic devices. Here we use…
Ferroelectric domain walls have emerged as one of the most fascinating objects in condensed matter physics due to the broad variability of functional behaviors they exhibit. However, the vast majority of domain walls studies have been…
Domain structures play a crucial role in the electric, mechanical and other properties of ferroelectric materials. In this study, we uncover the physical origins of the enigmatic zigzag domain structure in the prototypical multiferroic…
Molecular dynamics simulations predict a giant electrocaloric effect at the ferroelectric-antiferroelectric phase boundary in PZT (PbTiO$_3$-PbZrO$_3$). These large-scale simulations also give insights into the atomistic mechanisms of the…
We present a theoretical study of the structure and functionality of ferroelastic domain walls in tungsten trioxide, WO$_3$. WO$_3$ has a rich structural phase diagram, with the stability and properties of the various structural phases…