相关论文: Ideal barriers to polarization reversal and domain…
Strain engineering of perovskite oxide thin films has proven to be an extremely powerful method for enhancing and inducing ferroelectric behavior. In ferroelectric thin films and superlattices, the polarization is intricately linked to…
We report first-principle atomistic simulations on the effect of local strain gradients on the nanoscale domain morphology of free-standing PbTiO$_3$ ultrathin films. First, the ferroelectric properties of free films at the atomic level are…
Ferroelectrics are technologically important, with wide application in micromechanical systems, nonlinear optics, and information storage. Recent discoveries of exotic polarisation textures in these materials, which can strongly influence…
To minimize their electrostatic energy, insulating ferroelectric films tend to break up into nanoscale ``Kittel'' domains of opposite polarization that are separated by uncharged 180$^\circ$ domain walls. Here, I report on self-consistent…
The properties of ferroelectric materials, such as lead zirconate titanate (PZT), are heavily influenced by the interaction of defects with domain walls. These defects are either intrinsic, or are induced by the addition of dopants. We…
The ground-state polarization of PbTiO3 thin films is studied using a microscopic effective Hamiltonian with parameters obtained from first-principles calculations. Under short-circuit electrical boundary conditions, (001) films with…
We study the complex ferroelastic/ferroelectric domain structure in the prototypical ferroelectric PbTiO3 epitaxially strained on (110)o-oriented DyScO3 substrates, using a combination of atomic force microscopy, laboratory and synchrotron…
The observation of unexpected polarisation textures such as vortices, skyrmions and merons in various oxide heterostructures has challenged the widely accepted picture of ferroelectric domain walls as being Ising-like. Bloch components in…
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…
Flexible ferroelectrics possess significant potential for wearable electronics and bio-inspired devices, yet their electromechanical coupling mechanisms under dynamic bending remain elusive. This study employs phase-field simulations to…
We simulate from first-principles the energetic, structural, and electronic properties of ferroelectric domains in ultrathin capacitors made of a few unit cells of BaTiO$_3$ between two metallic SrRuO$_3$ electrodes in short circuit. The…
Using the method of anharmonic lattice statics, we calculate the equilibrium structure of steps on 180^o ferroelectric domain walls (DW) in PbTiO_3. We consider three different types of steps: i) Ti-Ti step that joins a Ti-centered DW to a…
Bestowing CMOS-compatible binary oxides with additional functionalities is a powerful strategy toward the realization of oxide electronics. Ideal candidates are thin films which display a strong sensitivity to strain, chemical doping or…
We study ferroelectric domain walls in barium titanate. We search for structurally nontrivial, so-called non-Ising domain walls, where the Polarisation is non-zero along the entire wall. Our approach enables us to find solutions for domain…
Size-driven transition of an antiferroelectric into a polar ferroelectric or ferrielectric state is a strongly debated issue from both experimental and theoretical perspectives. While critical thickness limits for such transitions have been…
Perovskite ferroelectric oxides are usually considered to be brittle materials, however, recent work [Dong et al., Science 366, 475 (2019)] demonstrated the super-elasticity in the freestanding BaTiO3 thin films. This property may originate…
In studies using piezoresponse force microscopy, we observe a non-zero lateral piezoresponse at 180$^\circ$ domain walls in out-of-plane polarized, c-axis-oriented tetragonal ferroelectric Pb(Zr$_{0.2}$Ti$_{0.8}$)O$_3$ epitaxial thin films.…
Interfacial ferroelectricity offers a promising platform for ultrafast, low-power memory devices. While previous studies have demonstrated the importance of domain wall in polarization switching, the coexistence of various domain wall types…
Multiferroic BiFeO$_3$ (BFO) possesses a rich phase diagram that allows strain tuning of its properties in thin-film form. In particular, at large compressive strain, a supertetragonal (T) phase with giant polarization is stabilized over…
In purely c-axis oriented PbZr$_{0.2}$Ti$_{0.8}$O$_3$ ferroelectric thin films, a lateral piezoresponse force microscopy signal is observed at the position of 180{\deg}domain walls, where the out-of-plane oriented polarization is reversed.…