Related papers: Improving the Functional Control of Aged Ferroelec…
Doping is a widely used method to tune physical properties of ferroelectric perovskites. Since doping can induce charges due to the substitution of certain elements, charge effects shall be considered in doped samples. To understand how…
The predictive capabilities of the finite element approach were assessed by comparing simulation outputs with experimental results, including load-displacement trends, damage initiation points, and delamination evolution. This comparison…
A theory to describe the dielectric anomalies and the ferroelectric phase transition induced by oxygen isotope replacement in SrTiO$_3$ is developed. The proposed model gives consistent explanation between apparently contradictory…
We describe a percolation-type approach to modeling of the processes of aging and certain other properties of tissues analyzed as systems consisting of interacting cells. Tissues are considered as structures made of regular healthy,…
We study numerically the ordering kinetics in a two-dimensional Ising model with random coupling where the fraction of antiferromagnetic links $a$ can be gradually tuned. We show that, upon increasing such fraction, the behavior changes in…
The large electrocaloric coupling in PbZrO3 allows using high-speed infrared imaging to visualize antiferroelectric switching dynamics via the associated temperature change. We find that in ceramic samples of homogeneous temperature and…
We have developed first-principles models, based on a general parametrization of the full potential-energy surface, to investigate the lattice-dynamical properties of perovskite oxides. We discuss the application of our method to prototypic…
Atomistic defect engineering through the pulsed laser epitaxy of perovskite transition metal oxides offers facile control of their emergent opto-electromagnetic and energy properties. Among the various perovskite oxides, EuTiO3 exhibits a…
We show with first-principles molecular dynamics the persistence of intrinsic $\langle111\rangle$ Ti off-centerings for BaTiO$_3$ in its cubic paraelectric phase. Intriguingly, these are inconsistent with the Pm$\bar 3$m space group often…
Dynamic dielectric and mechanical responses of the microcomposites of the ferroelastic-dielectric type were studied in this paper. The mechanical inclusions-matrix interactions have influence on the mechanical moduli of the composite. We…
We investigate the electronic, ferroelectric and magnetic properties of KTaO3/PbTiO3 interfaces by using conventional density functional theory (DFT) and advanced DFT such as hybrid functional HSE06. We show that doped holes in valence…
We measured the temperature dependences of the capacity and dielectric losses of the tape-casted dense ferroelectric composites consisting of 28 vol.% BaTiO3 nanoparticles (average size 24 nm) in the polyvinyl butyral polymer and 35 vol.%…
The atomic thickness of two-dimensional (2D) materials provides a unique opportunity to control material properties and engineer new functionalities by electrostatic doping. Electrostatic doping has been demonstrated to tune the electrical…
The dielectric properties of tantalum doped BaTi0.85Zr0.15O3 were investigated. The conventional solid state reaction method was used to make the ceramic samples. The composition was close to the pinch point of the three structure phase…
The piezoelectric response is a measure of the sensitivity of a material's polarization to stress or its strain to an applied field. Using in-operando x-ray Bragg coherent diffraction imaging, we observe that topological vortices are the…
Many dipolar topological structures have been experimentally demonstrated in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices, such as flux-closure, vortice, and skyrmion. In this work, we employ deep potential molecular dynamics (MD) to…
Intrinsic magnetoelectric coupling describes the interaction between magnetic and electric polarization through an inherent microscopic mechanism in a single phase material. This phenomenon has the potential to control the magnetic state of…
The influence of static stress and alternating loading direction on the potential energy and mechanical properties of amorphous alloys is investigated using molecular dynamics simulations. The model glass is represented via a binary mixture…
Ferroelectric control of interfacial magnetism has attracted much attention. However, the coupling of these two functionalities has not been understood well at the atomic scale. The lack of scientific progress is mainly due to the limited…
Ferroelectricity in perovskites is known to be suppressed by a moderate hydrostatic pressure. The notion that a polar instability should reappear in a higher pressure regime is well accepted theoretically but experiments have failed so far…