Related papers: Electrostriction coefficient of ferroelectric mate…
In this work we present a new method for the calculation of the electrostrictive properties of materials using density functional theory. The method relies on the thermodynamical equivalence, in a dielectric, of the quadratic mechanical…
The recent observation of a ferroelectric-like structural transition in metallic LiOsO$_3$ has generated a flurry of interest in the properties of polar metals. Such materials are thought to be rare because free electrons screen out the…
This paper presents electrostriction from the phenomenological perspective, and gives details on two mechanical effects arising from laser-matter interaction. Electrostriction is the tendency of materials to compress in the presence of a…
Electrostrictive materials exhibit a strain that is proportional to the square of the induced polarization. In linear dielectrics where the permittivity is constant, this electromechanical strain is also proportional to the square of the…
We present a strategy for increasing thermoelectric performance by invoking ferroelectric distortion in a transition-metal oxide. By using an ab initio calculation approach with the Boltzmann transport equation, a large Seebeck coefficient…
Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic…
Ferroelectric materials are a class of dielectrics that exhibit spontaneous polarization which can be reversed under an external electric field. The emergence of ferroelectric order in incipient ferroelectrics is a topic of considerable…
The hyperfine interaction between the quadrupole moment of atomic nuclei and the electric field gradient (EFG) provides information on the electronic charge distribution close to a given atomic site. In ferroelectric materials, the loss of…
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…
Flexoelectricity (coupling between polarization and strain gradients) is a property of all dielectric materials that has been theoretically known for decades, but it is only relatively recently that it has begun to attract experimental…
Beyond a conventional classification of ferroelectricity, there is a class of materials where electronic degrees of freedom and electronic interactions are directly responsible for electric polarization and ferroelectric transition. This is…
We demonstrate a controllable enhancement in the electrostrictive properties of a medium using dilute composite artificial materials. Analytical expressions for the composite electrostriction are derived and used to show that enhancement,…
First-principles calculations were performed to investigate the ferroelectric properties of barium titanate and bismuth ferrite, as well as phonon dispersion of BaTiO3, using density functional theory and density functional perturbation…
Density functional calculations are performed to study the effect of epitaxial strain on PbZrO3. We find a remarkably small energy difference between the epitaxially strained polar R3c and nonpolar Pbam structures over the full range of…
Sliding ferroelectrics, which exhibit out-of-plane polarization arising from specific stacking rather than conventional ionic displacements, are new types of ferroelectrics whose underdeveloped physics needs to be explored. Here, we…
We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO$_3$, PbTiO$_3$, LiNbO$_3$, and BiFeO$_3$ using first principles calculations. We find that while the strain dependence of the…
Using density-functional calculations we study the structure and polarization response of tetragonal PbTiO3, BaTiO3 and SrTiO3 in a strain regime that is previously overlooked. Different from common expectations, we find that the…
X-ray analysis of ferroelectric thin layers of Ba1/2Sr1/2TiO3 with different thickness reveals the presence of internal strain gradients across the film thickness and allows us to propose a functional form for the internal strain profile.…
The polarization response of a material to a strain gradient, known as flexoelectricity, holds great promise for novel electromechanical applications. Despite considerable recent progress, however, the effect remains poorly understood. From…
We investigate the electrostrictive response across a ferroelectric phase transition from first-principles calculations and refute the prevailing view of constant electrostriction across the ferroelectric phase boundary. We take as a case…