相关论文: Strain-induced isosymmetric ferri-to-ferroelectric…
We calculate the effect of epitaxial strain on the structure and properties of multiferroic bismuth ferrite, BiFeO3, using first-principles density functional theory. We find that, while small strains cause only quantitative changes in…
Materials that can produce large controllable strains are widely used in shape memory devices, actuators and sensors. Great efforts have been made to improve the strain outputs of various material systems. Among them, ferroelastic…
Phase engineering by strains in 2D semiconductors is of great importance for a variety of applications. Here, we present a study of strain induced ferroelectric (FE) transition on bismuth oxyselenide (Bi$_2$O$_2$Se) films, a…
Piezoelectrics interconvert mechanical energy and electric charge and are widely used in actuators and sensors. The best performing materials are ferroelectrics at a morphotropic phase boundary (MPB), where several phases can intimately…
We performed first principles calculations for epitaxially strained orthorhombic CaTiO$_3$. The computational results reveal the existence of a metastable ferroelectric phase at compressive strain with unexpected in-plane polarization.…
Large bipolar strain of up to 0.36% (peak-to-peak value) was measured in BiFeO3 ceramics at low frequency (0.1 Hz) and large amplitude (140 kV/cm) of the driving field. This strain is comparable to that achievable in highly efficient…
The contributory mechanisms associated with high piezoelectric response in piezoelectric ceramics have been examined by in-situ electric field dependent high energy synchro x-ray diffraction study. A comparative study of electric field…
First principles calculations are used to investigate the effects of epitaxial strain on the structure of the perovskite oxide CaTiO$_3$, with particular focus on the stabilization of a ferroelectric phase related to a polar instability…
Mechanical strain presents an effective control over symmetry-breaking phase transitions. In quantum paralelectric SrTiO3, strain can induce the ferroelectric transition via modification of local Ti potential landscape. However, brittle…
In solids, charge polarity can one-to-one correspond to spin polarity phenomenologically, e.g. ferroelectricity/ferromagnetism, antiferroelectricity/antiferromagnetism, and even dipole-vortex/magnetic-vortex, but…
Charge-order-driven ferroelectrics are an emerging class of functional materials, distinct from conventional ferroelectrics, where electron-dominated switching can occur at high frequency. Despite their promise, only a few systems…
Understanding ferroelectricity is of both fundamental and technological importance to further stimulate the development of new materials designs and manipulations. Here, we perform an in-depth first-principle study on the well-known…
BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…
We investigate the electrostrictive response across a ferroelectric phase transition from first-principles calculations and refute the prevailing view of constant electrostriction across the ferroelectric phase boundary. We take as a case…
We study the electrical behavior of multiferroic BiFeO$_3$ by means of first-principles calculations. We do so by constraining a specific component of the electric displacement field along a variety of structural paths, and by monitoring…
BiNiO$_3$ exhibits an unusual metal-insulator transition from $Pnma$ to $P\overline{1}$ that is related to charge ordering at the Bi sites, which is intriguingly distinct from the charge ordering at Ni sites usually observed in related…
We report on the lattice evolution of BiFeO3 as function of temperature using far infrared emissivity, reflectivity, and X-ray absorption local structure. A power law fit to the lowest frequency soft phonon in the magnetic ordered phase…
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…
To investigate the possible origin and mechanism of ferroelectricity in polycrystalline spin ices Ho2Ti2O7 and Dy2Ti2O7 a detailed dielectric study has been performed. Experimental finding suggests that both materials have two prominent…
Proximity to phase transitions (PTs) is frequently responsible for the largest dielectric susceptibilities in ferroelectrics. The impracticality of using temperature as a control parameter to reach those large responses has motivated the…