Related papers: First-principles theory of flexoelectricity
This is a review of theoretical results from the three-dimensional equations of anisotropic elasticity or linear piezoelectricity on waves and vibrations in quartz crystal plates. It covers both the classical results on acoustic wave…
The recent discovery of ferroelectric nematic liquid crystalline phases marks a major breakthrough in soft matter research. An intermediate phase, often observed between the nonpolar and the ferroelectric nematic phase, shows a distinct…
The electronic band structures and optical properties of cubic, tetragonal, and monoclinic phases of HfO2 are calculated using the first-principles linear augmented plane-wave method, within the density functional theory and generalized…
Recent observations of unusual ferroelectricity in thin films of HfO_2 and related materials have attracted broad interest to the materials and led to the emergence of a number of competing models for observed behaviors. Here we develop the…
Recently large Rashba-like spin splitting has been observed in certain bulk ferroelectrics. In contrast with the relativistic Rashba effect, the chiral spin texture and large spin-splitting of the electronic bands depend strongly on the…
Much attention has been given recently to flexible and wearable integrated-electronic devices, with a strong emphasis on real-time sensing, computing and communication technologies. Thin ferroelectric films exhibit switchable polarization…
Recent x-ray absorption experiments have demonstrated the possibility to accurately monitor the magnetism of metallic hetero-structures controlled via a time-independent perturbation caused for example by a static electric field. Using a…
The control of optical fields is usually achieved through the electro-optic or acousto-optic effect in single-crystal ferroelectric or polar compounds such as LiNbO3 or quartz. In recent years, tremendous progress has been made in…
Metals exhibit a size-dependent hardening when subject to indentation. Mechanisms for this phenomenon have been intensely researched in recent times. Does such a size-effect also exist in the electromechanical behavior of…
Using first-principles calculations based on a variational density functional perturbation theory, we investigate the lattice dynamics of solid solutions of barium and strontium titanates. Averaging the information available for the related…
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…
We apply a microscopic formalism for the calculation of material response properties to the problem of the generalization of a first-principles, i.e based on the energy spectrum and geometric properties of the Bloch functions, derivation of…
Starting from a general classical model of many interacting particles we present a well defined step by step procedure to derive the continuum-mechanics equations of nonlinear elasticity theory with fluctuations which describe the…
We generalize a previously established ab initio approach-originally developed for hexagonal close-packed (hcp) metals-to accommodate solids with both internal and external degrees of freedom. This extension enables the thermodynamic and…
We briefly review the literature of linear electromechanical effects of soft materials, especially in synthetic and biological polymers and liquid crystals (LCs). First we describe results on direct and converse piezoelectricity, and then…
It was shown that free energy density of the local flexomagnetoelectric effect is determined by the four phenomenological constants in case of the cubic (hexoctahedral) crystal. The well-known single-constant Lifshitz invariant term is…
Symmetry breaking at surfaces and interfaces and the capability to support large strain gradients in nanoscale systems enable new forms of electromechanical coupling. Here we introduce the concept of quantum flexoelectricity, a phenomenon…
Flexoelectricity, polarization induced by strain gradients, is especially pronounced in two-dimensional (2D) materials due to their mechanical flexibility and sensitivity to mechanical deformation. In nanostructures with sub-nm curvature,…
On this article there are presented the main results of the theory of electron phenomena in an unordered condensed matter that can be described as an inhomogeneously deformed crystalline lattice with dislocations. The one-electron effective…
Electro-active materials are classified as electrostrictive and piezoelectric materials. They deform under the action of an external electric field. Piezoelectric material, as a special class of active materials, can produce an internal…