Related papers: Non-equilibrium Structure Affects Ferroelectric Be…
In this article, we motivate the detailed comparison of the physical properties of individual configurations of a ferroelectric solid solution as a means toward developing first principles models for these systems. We compare energies,…
We have studied structure formation in a confined block copolymer melt by means of dynamic density functional theory (DDFT). The confinement is two-dimensional, and the confined geometry is that of a cylindrical nanopore. Although the…
The structure and thermodynamic state of a system changes under the influence of external electric fields. Neutral systems are characterized by their dielectric constant epsilon, while charged ones also by their charge distribution. In this…
The polar states of uniaxial ferroelectric nanoparticles interacting with a surface system of electronic and ionic charges with a broad distribution of mobilities is explored, which corresponds to the experimental case of nanoparticles in…
We present a detailed discussion of both theoretical and experimental evidence in favour of the existence of states of ``confined coherence'' in metals of sufficiently high anisotropy and with sufficiently strong correlations. The defining…
This Chapter contains an overview of the effects of nonlinear interactions in selected problems of non-equilibrium statistical mechanics. Most of the emphasis is put on open setups, where energy is exchanged with the environment. With…
The emerging interest in two-dimensional electron gases (2DEGs), formed at interfaces between two insulating oxide perovskites poses crucial fundamental question in view of future electronic devices. In the framework of density-functional…
Using exact diagonalization and quantum Monte Carlo calculations we investigate the effects of disorder on the phase diagram of both non-interacting and interacting models of two-dimensional topological insulators. In the fermion sign…
We implement molecular dynamics simulations in canonical ensemble to study the effect of confinement on a $2d$ crystal of point particles interacting with an inverse power law potential proportional to $r^{-12}$ in a narrow channel. This…
The role of boundary layers in conventional liquid crystals is commonly subsumed in their anchoring on confining walls. In the classical view, anchoring enslaves the orientational field of the passive material under equilibrium conditions.…
In this paper, a review on dielectric mixtures and the importance of the numerical simulations of dielectric mixtures are presented. It stresses on the interfacial polarization observed in mixtures. It is shown that this polarization can…
Review of selected fundamental topics on the interaction between phase transformations, fracture, and other structural changes in inelastic materials is presented. It mostly focuses on the concepts developed in the author's group over last…
The buckling of thin elastic sheets is a classic mechanical instability that occurs over a wide range of scales. In the extreme limit of atomically thin membranes like graphene, thermal fluctuations can dramatically modify such mechanical…
We investigate a system of equally charged Coulomb-interacting particles confined to a toroidal helix in the presence of an external electric field. Due to the confinement, the particles experience an effective interaction that oscillates…
Based on first-principles and model calculations we investigate the effect of polar interfaces on the ferroelectric stability of thin-film ferroelectrics. As a representative model, we consider a TiO2-terminated BaTiO3 film with LaO…
We study theoretically the influence of the underlying domain microstructure on the electromechanical properties of ferroelectrics. Our calculations are based on a continuum approach that incorporates the long-range elastic and…
A modified model of metal-semiconductor contacts is applied to analyze the capacitance-voltage and current-voltage characteristics of metal-ferroelectric-metal structures. The ferroelectric polarization is considered as a sheet of surface…
We present results from molecular dynamics simulations of a spherically confined neutral polymer in the presence of crowding agents, studying polymer shapes and conformations as a function of the confining potential, solvent quality and the…
Ferroelectric materials are established candidates for beyond complementary metal-oxide-semiconductor technology, owing to their non-volatile spontaneous electrical polarization. The recent boom in electric dipole texture engineering and…
Zero-point fluctuations of surface plasmon modes near the interface between metal and nonlinear dielectric are shown to produce a thin layer of altered dielectric constant near the interface. This effect may be sufficiently large to produce…