Related papers: Polarization evolution equation for the exchange-s…
We investigate the finite-temperature phase diagram of polar molecules confined in a quasi-two-dimensional geometry by a harmonic potential along the polarization axis. We employ Quantum Monte Carlo simulations to explore the strongly…
A theory of thermoelectric phenomena in superfluid $^4He$ is developed. It is found an estimation of the dipole moment of helium atom arising due to electron shell deformation caused by pushing forces from the side of its surrounding atoms.…
We employ density functional theory to study in detail the crystallization of super-paramagnetic particles in two dimensions under the influence of an external magnetic field that lies perpendicular to the confining plane. The field induces…
Microscopic insights into nonlinear interactions are essential for advancing polaritonic devices. Existing studies often rely on phenomenological models that overlook important many-body processes. Based on a material-specific and…
The Liouville equation governing the evolution of the density matrix for an atomic/molecular system is expressed in terms of a commutator between the density matrix and the Hamiltonian, along with terms that account for decay and…
Flexoelectricity is characterised by the coupling of the gradient of the deformation and the electrical polarization in a dielectric material. A novel micromorphic approach is presented to accommodate the resulting higher-order gradient…
The Rice-Sneddon model for BaBiO$_3$ is a nice model Hamiltonian for considering the properties of polarons and bipolarons in a three-dimensional oxide crystal. We use exact diagonalization methods on finite samples to study the stability…
Ferroelectric materials can switch their polarization in response to an applied electric field. In this work, ferroelectricity at the single molecule level is proposed and investigated using density functional theory (DFT) calculations.…
Density Functional Theory (DFT) calculations were used to evaluate polarity of group III nitrides, such as aluminum nitride (AlN), gallium nitride (GaN) and indium nitride (InN) providing physically sound quantitative measure of polarity of…
Halide perovskite semiconductors respond to electric fields in a way that varies across time and length scales. We discuss the microscopic processes that give rise to the macroscopic polarization of these materials, ranging from the optical…
We investigate thermal instability in an electron-ion magnetized plasma relevant to galaxy clusters, solar corona, and other two-component astrophysical objects. We apply the multicomponent plasma approach when the dynamics of all the…
We study the effects of long-range electrostatic interactions on the thermal fluctuations of free-standing crystalline membranes exhibiting spontaneous electric polarization directed at each point along the local normal to the surface. We…
We address a systematic microscopic theory of spin-dependent electric polarization in 3d oxides starting with a generic three-site two-hole cluster. A perturbation scheme realistic for 3d oxides is applied which implies the quenching of…
We present a novel microfield approach for studying the dependence of the orientational polarization of the water in aqueous electrolyte solutions upon the salt concentration and temperature. The model takes into account the orientation of…
We construct a boundary integral representation for the low-Reynolds-number flow in a channel in the presence of freely-suspended particles (or droplets) of arbitrary size and shape. We demonstrate that lubrication theory holds away from…
The standard Maxwell formulation of the problem of polarized dielectrics suffers from a number of difficulties, both conceptual and practical. These difficulties are particularly significant in the case of liquid interfaces, where the…
A polaron is an electron interacting with a polar crystal, which is able to form a bound state by using the distortions of the crystal induced by its own density of charge. In this paper we derive Pekar's famous continuous model for…
We investigate the role of the electron correlation effects in the calculations of the electric dipole polarizabilities (\alpha) of elements belonging to three different groups of periodic table. To understand the propagation of the…
Using a free-energy based computational model, we have investigated the response of a system comprising two interacting ferroelectric nanospheres, embedded in a dielectric medium, to a static external electric field. The system response is…
We investigate in detail the initial susceptibility, magnetization curves, and microstructure of ferrofluids in various concentration and particle dipole moment ranges by means of molecular dynamics simulations. We use the Ewald summation…