Related papers: First-principles theory of flexoelectricity
We analytically derive the elastic, dielectric, piezoelectric, and the flexoelectric phenomenological coefficients as functions of microscopic model parameters such as ionic positions and spring constants in the two-dimensional…
The coupling between strain gradients and polarization, known as flexoelectricity, offers a new mechanism to control the functionality of dielectric materials. However, for the effect to be practically attractive, dynamic control of the…
Based on recent advances in first-principles theory, we develop a general model of the band offset at metal/ferroelectric interfaces. We show that, depending on the polarization of the film, a pathological regime might occur where the…
We derive from first principles an accurate homogenized description of periodic metamaterials made of magnetodielectric inclusions, highlighting and overcoming relevant limitations of standard homogenization methods. We obtain closed-form…
Electromechanics in fluids describes the response of the number density to electric fields, and thus provides a powerful means by which to control the behavior of liquids. While continuum approaches have proven successful in describing…
From ultraviolet to mid-infrared region, light-matter interaction mechanisms in semiconductors progressively shift from electronic transitions to phononic resonances and are affected by temperature. Here, we present a parallel…
This paper aims to provide an introduction to a basic form of the ${\bf Q}$-tensor approach to modelling liquid crystals, which has seen increased interest in recent years. The increase in interest in this type of modelling approach has…
The paper investigates the influence of the magnetic field on the behavior of 180-degree domain boundaries in a uniaxial ferromagnetic film with inhomogeneous magnetoelectric interaction. It is shown that, depending on the magnitude and…
Flexoelectric effect impact on the generalized susceptibility and soft phonons dispersion was not studied in the long-range ordered phases of ferroics. The gap in the knowledge motivated us to establish the impact of the flexocoupling on…
Flexoelectricity is universal in all dielectrics, effective at high temperatures, and a promising transduction technique for nanoelectromechanical systems (NEMS). However, as flexoelectricity is still in its early stages, many aspects…
The helical-flexo-electro-optic effect shows interesting in-plane electro-optic switching behaviour due to flexoelectric coupling with applied electric fields. Previous understanding of the behaviour has been generally based on an analytic…
A tight-binding model is fit to first-principles calculations for copper that include structures distorted according to elastic constants and high-symmetry phonon modes. With the resulting model the first-principles-based phonon dispersion…
We develop a lattice model for the splay flexoelectric effect in nematic liquid crystals. In this model, each lattice site has a spin representing the local molecular orientation, and the interaction between neighboring spins represents…
We present a scheme to construct model potentials, with parameters computed from first principles, for large-scale lattice-dynamical simulations of materials. Our method mimics the traditional solid-state approach to the investigation of…
To study the effects appearing under mechanical stresses, we have used the model of glycinium phosphite ferroelectric, modified by taking into account the piezoelectric coupling of ordering structure elements with lattice strains. In the…
We provide a detailed derivation of a recently developed first-principles approach to calculating averages in systems of interacting, spherical Brownian particles under time-dependent flow. Although we restrict ourselves to flows which are…
We present a computationally efficient method to incorporate density-functional theory into the calculation of reflectivity in low-energy electron microscopy. The reflectivity is determined by matching plane waves representing the electron…
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…
We developed a Landau type theory for the description of polar phenomena in low-dimensional transition metal dichalcogenides (TMDs), specifically exploring flexoelectric origin of the polarization induced by a spontaneous bending and by…
I show how flexoelectricity result in a fluctuating surface electric potential when elastic solids with random roughness are squeezed into contact. The flexoelectric potential may induce surface charge distributions and hence contribute to…