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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…
We present a first-principles study of multiferroic BiFeO3 at high pressures. Our work reveals the main structural (change in Bi's coordination and loss of ferroelectricity), electronic (spin crossover and metallization), and magnetic (loss…
Strain engineering of perovskite oxide thin films has proven to be an extremely powerful method for enhancing and inducing ferroelectric behavior. In ferroelectric thin films and superlattices, the polarization is intricately linked to…
We propose a two-sublattice proton ordering model for the quasione-dimensional CsH$_2$PO$_4$ ferroelectric with hydrogen bonds, which takes into account linear on lattice strains $u_1$, $u_2$, $u_3$ and $u_5$ contribution to the energy of…
We examine theoretically a possibility of ferroelectricity caused by electronic charge order without inversion symmetry, motivated by layered iron oxides. Quantum electronic models in a paired-triangular lattice are analyzed by utilizing…
We consider ferroelectric phase transitions in both short-circuited and biased ferroelectric-semiconductor films with a space (depletion) charge which leads to some unusual behavior. It is shown that in the presence of the charge the…
In order to understand the physical hysteresis loops clearly, we constructed a novel model, which is combined with the electric field, the temperature, and the stress as one synthetically parameter. This model revealed the shape of…
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…
In the framework of the thermodynamic approach Landau-Ginzburg-Devonshire (LGD) combined with the equations of electrostatics, we investigated the effect of polarization surface screening on finite size effects of the phase diagrams, polar…
Elastomers are viscoelastic materials and their properties significantly depend on the loading rate. The actual stress experienced by these materials is the sum of equilibrium and dissipative (inelastic) terms. At very low loading rates we…
While doping is widely used for tuning physical properties of perovskites in experiments, it remains a challenge to exactly know how doping achieves the desired effects. Here, we propose an empirical and computationally tractable model to…
It is demonstrated that the substances with small difference in the free energies of the ferroelectric and antiferroelectric phases possess a set of properties characteristic for the so-called "dipole glasses". Possible phase diagrams of…
The films of order-disorder type ferroelectrics were considered in the mean field approximation taking into account depolarization field. It was shown that size effects in this system could be described on the base of bulk system equation…
The dependence of the elastic tensor on the equilibrium stress is investigated theoretically. Using ideas from finite-elasticity, it is first shown that both the equilibrium stress and elastic tensor are given uniquely in terms of the…
Experimental and theoretical studies of unusual polar, dielectric and magnetic properties of room temperature multiferroics, such as perovskites Pb(Fe$_{1/2}$Nb$_{1/2}$)O$_3$ (PFN) and Pb(Fe$_{1/2}$Ta$_{1/2}$)O$_3$ (PFT), are very…
In this work we provide a thorough examination of the nonlinear dielectric properties of a succinonitrile-glutaronitrile mixture, representing one of the rare example of a plastic crystal with fragile glassy dynamics. The detected…
For the first time we proposed the model for the calculations of the relaxor ferroelectrics films properties in the framework of the random field theory. We took into account the misfit strain between film and substrate as well as surface…
The properties of quantum materials are commonly tuned using experimental variables such as pressure, magnetic field and doping. Here we explore a different approach: irreversible, plastic deformation of single crystals. We show for the…
The influence of magnetostriction on static fluctuations of the magnetic moment in ferromagnetic polycrystals has been theoretically studied. Conditions have been found under which magnetoelastic interaction leads to stabilization of…
In this study, the effect of ferrite grain size on the mechanical properties and dislocation behavior of dual-phase (DP) steel is investigated using dislocation-based crystal plasticity finite element analysis. DP steel, composed of a soft…