Related papers: Unified ab initio formulation of flexoelectricity …
Room temperature simulations of graphene have been performed as a function of the mechanical tension of the layer. Finite-size effects are accurately reproduced by an acoustic dispersion law for the out-of-plane vibrations that, in the…
Electron-correlation effects on cohesive energy, lattice constant and bulk compressibility of rutile are calculated using an ab-initio scheme. A competition between the two groups of partially covalent Ti-O bonds is the reason that the…
Theory and simulation of Brownian colloids suspended in an implicit solvent, with the hydrodynamics of the fluid accounted for by effective interactions between the colloids, are shown to yield a marked and hitherto unobserved discrepancy…
Flexible mechanical metamaterials possess repeating structural motifs that imbue them with novel, exciting properties including programmability, anomalous elastic moduli and nonlinear and robust response. We address such structures via…
For Sn$_2$P$_2$S$_6$ ferroelectrics, the appearance of spontaneous polarization is related to stereoactivity of tin cations and valence fluctuations of phosphorous cations. Here, the continuous phase transition and its behavior under…
We derive the atomistic representations of the elastic tensors appearing in the linearized theory of first strain-gradient elasticity for an arbitrary multi-lattice. In addition to the classical (2nd-Piola) stress and elastic moduli…
A phenomenological model on the relationship between viscoelasticity and flexoelectricity is proposed to address the electromechanical coupling under rheological processes in viscoelastic materials. Our theoretical studies show that some…
Rocks are important examples for solid materials where, in various engineering situations, elastic, thermal expansion, rheological/viscoelastic and plastic phenomena each may play a remarkable role. Nonequilibrium continuum thermodynamics…
Electric fields have played a key role in discovering and controlling exotic electronic states of condensed matter. However, electric fields usually do not work in metals as free carriers tend to screen electrostatic fields. While a…
We calculate from first principles the nonlinear piezoelectric response of ferroelectric PbTiO3 for the case of a polarization-enhancing electric field applied along the tetragonal axis. We focus mainly on the case of fixed in-plane lattice…
A strong coupling between electric polarization and elastic deformation in solids is an important factor in creating useful electromechanical nanodevices. Such coupling is typically allowed in insulating materials with inversion symmetry…
Here the recently developed size-dependent piezoelectricity and the strain gradient theory of flexoelectricity are compared. In the course of this investigation, the strain gradient theory of flexoelectricity is shown to violate fundamental…
A flexoelectric peridynamic (PD) theory is proposed. Using the PD framework, the formulation introduces, perhaps for the first time, a nanoscale flexoelectric coupling that entails non-uniform strain in centrosymmetric dielectrics. This…
One of the central appealing properties of magnetic gels and elastomers is that their elastic moduli can reversibly be adjusted from outside by applying magnetic fields. The impact of the internal magnetic particle distribution on this…
Ferroelectric materials underlie key optical technologies in optical communications, integrated optics and quantum computing. Yet, there is a lack of a consistent thermodynamic framework to predict the optical properties of ferroelectrics…
We study thermal fluctuations of a free-standing bilayer graphene subject to vanishing external tension. Within a phenomenological theory, the system is described as a stack of two continuum crystalline membranes, characterized by finite…
The high-pressure and high-temperature thermodynamic properties of iridium are studied using density functional theory in combination with the quasi-harmonic approximation, where both the contributions to the free energy of phonons and of…
In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting…
Within the framework of Landau-Ginzburg-Devonshire (LGD) theory we studied the role of the flexocoupling between the order parameter and elastic strain gradients in the stability of a spatially-modulated phase (SMP) in ferroics with…
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…