Related papers: First-principles theory of flexoelectricity

This review covers the important advances in recent years in the physics of thin film ferroelectric oxides, the strongest emphasis being on those aspects particular to ferroelectrics in thin film form. We introduce the current state of…

Describing electron-phonon interactions in a solid requires knowledge of the electron-phonon matrix elements in the Hamiltonian. State-of-the-art first-principles calculations for the electron-phonon interaction are limited to the…

Flexoelectricity has garnered much attention owing to its ability to bring electromechanical functionality to non-piezoelectric materials and its nanoscale significance. In order to move towards a more complete understanding of this…

Flexoelectricity, inherent in all materials, offers a promising alternative to piezoelectricity for nanoscale actuation and sensing. However, its widespread application faces significant challenges: differentiating flexoelectric effects…

In the framework of a continuum theory, it is shown that the direct flexoelectric response of a finite sample essentially depends on the surface polarization energy, even in the thermodynamic limit where the body size tends to infinity. It…

An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…

Understanding the nature of brittle failure in ferroelectric materials is essential, but difficult due to the complex interaction between mechanical and electrical concentrated fields near the crack tip. In this work, an extended…

We present a first-principles scheme for the computation of the magnetoelectric response of magnetic insulators. The method focuses on the lattice-mediated part of the magnetic response to an electric field, which we argue can be expected…

It has been well known that flexoelectricity can be exploited to generate an analogous piezoelectric response in non-piezoelectric materials. For the direct flexoelectric effect, the induced electric polarization is linearly proportional to…

The consideration of size-induced ferroelectric-paraelectric phase transition for conventional and incipient ferroelectrics thin films with perovskite structure was carried out in phenomenological theory framework of…

We present a first-principles study of the relationship between stress, temperature and electronic properties in piezoelectric ZnO. Our method is a plane wave pseudopotential implementation of density functional theory and density…

We report on nanoscale strain gradients in ferroelectric HoMnO3 epitaxial thin films, resulting in a giant flexoelectric effect. Using grazing-incidence in-plane X-ray diffraction, we measured strain gradients in the films, which were 6 or…

We calculate transversal flexoelectric coefficients along the principal directions for fifty select atomic monolayers using ab initio Density Functional Theory (DFT). Specifically, considering representative materials from each of Groups…

We have measured the bending-induced polarization of Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals with compositions at the relaxor-ferroelectric phase boundary. The crystals display very large flexoelectricity, with flexocoupling coefficients an…

Doped HfO2 thin films exhibit robust ferroelectric properties even for nanometric thicknesses, are compatible with current Si technology and thus have great potential for the revival of integrated ferroelectrics. Phase control and…

We use first principles density functional theory calculations to investigate the effect of biaxial strain in the low-temperature structural and ferroelectric properties of [111]-oriented SrTiO$_3$. We find that [111] biaxial strain,…

In this work, we present a compactly supported radial basis function (CSRBF) based meshfree method to analyse geometrically nonlinear flexoelectric nanostructures considering surface effects. Flexoelectricity is the polarization of…

Modern electromechanical actuators and sensors rely on the piezoelectric effect that linearly couples strain and electric polarization. However, this effect is restricted to materials that lack inversion symmetry. In contrast, the…

Although rare, spontaneous breakdown of inversion symmetry sometimes occurs in a material which is metallic: these are commonly known as polar metals or ferroelectric metals. Their 'polarization', however, cannot be switched via an electric…

Piezoelectricity is a technologically important property of certain insulators in which mechanical strain induces an electrical polarization. However, the rate at which a piezoelectric response can be established over a macroscopic volume…