相关论文: Improving the Functional Control of Aged Ferroelec…
The role of defects in solids of mixed ionic-covalent bonds such as ferroelectric oxides is complex. Current understanding of defects on ferroelectric properties at the single-defect level remains mostly at the empirical level, and the…
A mechanism of point defect migration triggered by local depolarization fields is shown to explain some still inexplicable features of aging in acceptor doped ferroelectrics. A drift-diffusion model of the coupled charged defect transport…
The dielectric response of hard (Fe-doped) and soft (Nb-doped) rhombohedral Pb(Zr0.58Ti0.42)1-xMexO3 (PZT; Me= Fe or Nb) ceramics was studied at subswitching conditions over a wide range of temperatures (50 C to 450 C) and frequencies (10…
It is known that the permittivity of the ferroelectric films is affected by several phenomena, which deteriorate the material quality (e.g. the redistribution of the crystal lattice defects, appearance of the electrode-adjacent…
We introduce an open-source, fully atomistic second-principles interatomic potential for lead titanate (PbTiO3), a benchmark ferroelectric material known for its strong polarization and hightemperature phase transitions. While density…
Defect engineering is an effective and powerful tool to control existing material properties and create completely new ones, which are symmetry-forbidden in a defect-free crystal. This letter reports on the creation of piezoelectrically…
Functional properties of ferroelectrics and their change with time depend crucially on the defect structure. In particular, point defects and bias fields induced by defect dipoles modify the field hysteresis and play an important role in…
The thermoelectric performance of materials exhibits complex nonlinear dependencies on both elemental types and their proportions, rendering traditional trial-and-error approaches inefficient and time-consuming for material discovery. In…
We explore the effect of charge carrier doping on ferroelectricity using density functional calculations and phenomenological modeling. By considering a prototypical ferroelectric material, BaTiO3, we demonstrate that ferroelectric…
While doping is widely used for tuning physical properties of perovskites in experiments, it remains a challenge to exactly know how doping achieves the desired effects. Here, we propose an empirical and computationally tractable model to…
An evidence that the dielectric ageing in the polydomain Pb(Zr0.45Ti0.55)O3 thin films is controlled by progressive pinning of 180 domain walls is presented. To provide such a conclusion, we use a general method, which is based on the study…
The formation and field-induced switching of defect dipoles in acceptor doped lead titanate is described by a kinetic model representing an extension of the well established Arlt-Neumann model [Ferroelectrics {\bf 76}, 303 (1987)]. Energy…
Ferroelectricity has been believed unable to coexist with metallicity since the free carriers can screen the internal coulomb interactions of dipoles. Very recently, one kind of materials called as ferroelectric metal was reexamined. Here,…
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…
In the past few years systems with slow dynamics have attracted considerable theoretical and experimental interest. Ageing phenomena are observed during this ever-lasting non-equilibrium evolution. A simple instance of such a behaviour is…
By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…
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…
We characterize in details the aging properties of the ferroelectric phase of K Ta_{1-x} Nb_x O_3 (KTN), where both rejuvenation and (partial) memory are observed. In particular, we carefully examine the frequency dependence of several…
Ageing in systems without detailed balance is studied in bosonic contact and pair-contact processes with Levy diffusion. In the ageing regime, the dynamical scaling of the two-time correlation function and two-time response function is…
Aging in a two-dimensional Ising spin model with both ferromagnetic exchange and antiferromagnetic dipolar interactions is established and investigated via Monte Carlo simulations. The behaviour of the autocorrelation function $C(t,t_w)$ is…