Related papers: A morphotropic phase boundary system based on pola…
We apply the generalized Boltzmann theory to describe thermoelectric transport properties of monolayer phosphorene in the presence of short- and long-range charged impurity interactions. First, we propose a low-energy Hamiltonian to explore…
Relaxor ferroelectrics have been a focus of intense attention due to their anomalous dielectric characteristics, diffuse phase transitions, and strong piezoelectricity. Understanding the structure and dynamics of relaxors has been one of…
Asymptotic formulae for the mechanical and electric fields in a piezoelectric body with a small void are derived and justified. Such results are new and useful for applications in the field of design of smart materials. In this way the…
The thermodynamics and kinetics of tip-induced polarization switching in Piezoresponse Force Microscopy in the presence of surface charge defects is studied using the combination of analytical and numerical techniques. The signature of the…
Active thermal management requires advances in thermal switching materials, whose thermal conductivity responds to external stimuli. The electric field, as one of the most convenient and effective stimuli, has shown great potential in…
Critical and compensation properties of a mixed spin-1 and spin-3/2 Ising ferrimagnet on a square lattice are investigated by standard and histogram Monte Carlo simulations. The critical temperature is studied as a function of a single-ion…
In the last ten years significant advances have been made in our understanding and ability to compute and predict properties of ferroelectrics and piezoelectrics using fundamental physics. Phase diagrams, electromechanical and elastic…
The question of whether one can systematically identify (previously unknown) ferroelectric phases of a given material is addressed, taking hafnia (HfO$_2$) as an example. Low free energy phases at various pressures and temperatures are…
Tuning the lattice degree of freedom in nanoscale functional crystals is critical to exploit the emerging functionalities such as piezoelectricity, shape-memory effect, or piezomagnetism, which are attributed to the intrinsic lattice-polar…
Statistical distribution of switching times is a key information necessary to describe the dynamic response of a polycrystalline bulk ferroelectric to an applied electric field. The Inhomogeneous Field Mechanism (IFM) model offers a useful…
Symmetry-lowering structural phase transitions result in multiple degenerate structures whose coexistence is determined by macroscopic strain compatibility. In quantum materials, these structural transformations often couple to electronic…
We study the electrical behavior of multiferroic BiFeO$_3$ by means of first-principles calculations. We do so by constraining a specific component of the electric displacement field along a variety of structural paths, and by monitoring…
We study in this paper the phase transition in superlattices formed by alternate magnetic and ferroelectric layers, by the use of Monte Carlo simulation. We study effects of temperature, external magnetic and electric fields,…
True phase-matched second-harmonic generation in a waveguide of crosslinkable ferroelectric liquid crystals is demonstrated. These materials allow the formation of macroscopically polar structures whose order can be frozen by…
We report modifications of the ferroelectric and electrocaloric properties of BaTiO$_3$ by defects. For this purpose, we have combined \textit{ab initio}-based molecular dynamics simulations with a simple model for defects. We find that…
Recently, it has been shown that two dimensional frustrated mixed-spin systems with anisotropic exchange interactions display supersolid phases in their ground state phase diagrams even in the absence of long-range interactions. In this…
A monoclinic phase was recently discovered near the morphotropic phase boundary in several high-performance piezoelectric perovskite solid solutions, but its properties have not been reported. In this paper the dielectric, piezo- and…
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…
We study the electron and phonon thermalization in simple metals excited by a laser pulse. The thermalization is investigated numerically by solving the Boltzmann transport equation taking into account all the relevant scattering mechanism:…
We present a minimal model that provides a description of the magnetic and thermodynamic properties of \Eu. The model contains two exchange coupling parameters, which are calculated using Density Functional Theory, and a local easy axis…