Related papers: Unified ab initio formulation of flexoelectricity …
The use of multifunctional composite materials adopting piezo-electric periodic cellular lattice structures with auxetic elastic behavior is a recent and promising solution in the design of piezoelectric sensors. In the present work,…
In the past decade, a new research frontier emerges at the interface between physics and renewable energy, termed as the inelastic thermoelectric effects where inelastic transport processes play a key role. The study of inelastic…
We present an ab initio method for eletcronic structure calculations, which accounts for the interaction of electrons and magnons in ferromagnets. While it is based on a many body perturbation theory we approximate numerically complex…
Electronic and structural phenomena at the twin domain wall-surface junctions in the ferroelastic materials are analyzed. Carriers accumulation caused by the strain-induced band structure changes originated via the deformation potential…
The effect of epitaxial strain on the phonon spectra, crystal structure, spontaneous polarization, dielectric, piezoelectric, and elastic properties of (001)-oriented ferroelectric (BaTiO$_3$)$_m$/(SrTiO$_3$)$_n$ superlattices ($m = n =…
Recent advances in ultrashort laser pulse techniques have opened up a wide variety of applications in both fundamental physics and industrial fields. In this work, $ab$ $initio$ molecular dynamics simulations based on time-dependent density…
We study the static and dynamic structure of thermally fluctuating elastic thin sheets by investigating the overdamped dynamic F\"oppl-von K\'arm\'an equation, in which the F\"oppl-von K\'arm\'an equation from elasticity theory is driven by…
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…
Soft solids with tunable mechanical response are at the core of new material technologies, but a crucial limit for applications is their progressive aging over time, which dramatically affects their functionalities. The generally accepted…
We present a formulation for high-order generalized periodicity conditions in the context of a high-order electromechanical theory including flexoelectricity, strain gradient elasticity and gradient dielectricity, with the goal of studying…
We revisit the phase diagram of BaTiO$_3$ under biaxial strain using a first principles-based effective Hamiltonian approach. We show that, in addition to the tetragonal ($c$), quasi-rhombohedral ($r$), and quasi-orthorhombic ($aa$)…
The discrete modeling of a large class of mechanical structures can be based on a stick-and-spring concept. We here present a stick-and-spring theory with potential application to the statics and the dynamics of such nanostructures as…
In this article, we motivate the detailed comparison of the physical properties of individual configurations of a ferroelectric solid solution as a means toward developing first principles models for these systems. We compare energies,…
The first part of this article centers on the fact that key features of the dynamical response of weakly-correlated materials (the alkalis, Al), have been found experimentally to differ qualitatively from simple-model behavior. In the…
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…
Atomically thin sheets, such as graphene, are widely used in nanotechnology. Recently they have also been used in applications including kirigami and self-folding origami, where it becomes important to understand how they respond to…
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…
A large variety of materials, widely encountered both in engineering applications and in the biological realm, are characterised by a non-vanishing internal stress distribution, even in the absence of external deformations or applied…
First-principles quasi-harmonic calculations play a very important role in mineral physics because they can accurately predict the structure and thermodynamic properties of materials at pressure and temperature conditions that are still…
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The…