相关论文: On micro-structural effects in dielectric mixtures

We consider a semi-infinite spatially dispersive dielectric with unequal transverse and longitudinal susceptibilities. The effect of the boundary is characterized by arbitrary reflection coefficients for polarization waves in the material…

This work presents a microscale approach for simulating the dielectrophoresis (DEP) assembly of polarizable particles under an external electric field. The model is shown to capture interesting dynamical and topological features, such as…

In this article we explore how structural parameters of composites filled with one-dimensional, electrically conducting elements (such as sticks, needles, chains, or rods) affect the percolation properties of the system. To this end, we…

In a recent Letter [Phys. Rev. Lett. 103, 097403 (2009)], we outlined a computational method to calculate the optical properties of structures with a spatially nonlocal dielectric function. In this Article, we detail the full method, and…

The traditional display of elements in the periodic table is convenient for the study of chemistry and physics. However, the atomic number alone is insufficient for training statistical machine learning models to describe and extract…

We present details of our effective computational methods based on the real-space finite-difference formalism to elucidate electronic and magnetic properties of the two-dimensional (2D) materials within the framework of the density…

The low-energy properties of two-dimensional ensembles of dipole-coupled magnetic nanoparticles are studied as function of structural disorder and particle coverage. Already small deviations from a square particle arrangement lift the…

A method for modeling the full steady-state and small-signal behavior of practical capacitive structures, such as metal-insulator-metal capacitors, diodes, and transistors, is presented. Simple lumped element models fail to properly…

Periodic configurations of electrodes, in particular of microelectrodes, have been of interest since the advent of microfabrication. In this report, theory which is common to any periodic cell (or any cell that can be extended periodically)…

We consider emitting nanoparticles in dielectric nanocomposites with varying refractive index contrast and geometry. For that we develop a simple and universal method to calculate the emission enhancement in nanocomposites that employs…

Polymer-based nanocomposite dielectrics are expected to become essential in future generations of high voltage electrical insulation. However, the physics behind their performance is not yet understood. Here we investigate electronic…

Microscopic description in the study of immiscibility and segregating properties of liquid metallic binary alloys has gained a renewed scientific and technological interests during the last eight years for the physicists, metallurgists and…

We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…

Dielectric nano-swithes made of the materials that exhibit piezoelectric and/or flexoelectric properties with significant electro-mechanical coupling are considered. In this case, a nonuniform strain field may locally break inversion…

Electro-optic (EO) effects relate the change of optical constants by low-frequency electric fields. Thanks to the advent of Density Functional Perturbation Theory (DFPT), the EO properties of bulk three-dimensional (3D) materials can now be…

We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we…

Structural, electronic, and optical properties for the cubic, tetragonal, and monoclinic crystalline phases of ZrO2, as derived from it ab initio full-relativistic calculations, are presented. The electronic structure calculations were…

Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…

We demonstrate that kinetic coefficients related to thermoelectric properties of the two dimensional electron gas in the diffusive regime are strongly influenced by electron-electron interaction. As an example we consider the thermoelectric…

The book includes all main physical properties of d- and f-transition-metal systems and corresponding theoretical concepts. Especial attention is paid to the theory of magnetism and transport phenomena. Some examples of non-traditional…