Related papers: Electric displacement as the fundamental variable …
Improper ferroelectrics are described by two order parameters: a primary one, driving a transition to long-range distortive, magnetic or otherwise non-electric order, and the electric polarization, which is induced by the primary order…
The article presents an alternative approach to the definition of vector electrodynamic potential and its properties. It is shown that generally it has vortical and potential components. The system of differential equations of generalized…
The phenomenon of the spontaneous electric polarization (ferro- and antiferroelectricity) is one of the fundamental problems of the solid-state physics. Although, there has been lot of experimental and theoretical progress, still needs to…
In composite materials, the inclusions are frequently spaced very closely. The electric field concentrated in the narrow regions between two adjacent perfectly conducting inclusions will always become arbitrarily large. In this paper, we…
A finite element discretization using a method of lines approached is proposed for approximately solving the Poisson-Nernst-Planck (PNP) equations. This discretization scheme enforces positivity of the computed solutions, corresponding to…
Partition Density Functional Theory (P-DFT) is a density embedding method that partitions a molecule into fragments by minimizing the sum of fragment energies subject to a local density constraint and a global electron-number constraint. To…
Material surfaces encompass structural and chemical discontinuities that often lead to the loss of the property of interest in the so-called dead layers. It is notably problematic in nanoscale oxide electronics, where the integration of…
The increasing penetration of converter-interfaced distributed energy resources has brought out the need to develop decentralized criteria that would ensure the small-signal stability of the inter-connected system. Passivity of the D-Q…
The influence of a strong surface potential on the critical depinning of an elastic system driven in a random medium is considered. If the surface potential prevents depinning completely the elastic system shows a parabolic displacement…
Spintronics, or spin electronics, involves the study of active control and manipulation of spin degrees of freedom in solid-state systems. This article reviews the current status of this subject, including both recent advances and…
We generalize the treatment of the electronic spin degrees of freedom in density functional calculations to the case where the spin vector variables employed in the definition of the energy functional can vary in any direction in space. The…
We derive the equations of nonlinear electroelastostatics using three different variational formulations involving the deformation function and an independent field variable representing the electric character - considering either one of…
The proper generalized decomposition is applied to a static electrothermal model subject to uncertainties. A reduced model that circumvents the curse of dimensionality is obtained. The quadratic electrothermal coupling term is non-standard…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
We propose a mechanism for the recently reported destabilization by an in-plane magnetic field of the conducting phase of low density electrons in 2D. We apply our self-consistent approach based on the memory function formalism to the fully…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
Computational studies of the thermodynamic properties of materials at the mesoscopic and macroscopic scales -- involving lengths and times of at least $\mu$m and $\mu$s, respectively -- rely on a coarse-graining approximation such that only…
Multideterminant calculations have been performed on model systems to emphasize the role of many-body effects in the general description of charge quantization experiments. We show numerically and derive analytically that a closed-shell…
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…
In this work, we introduce new integral formulations based on the convolution quadrature method for the time-domain modeling of perfectly electrically conducting scatterers that overcome some of the most critical issues of the standard…