Related papers: Crystal Electrostatic Energy
The thermodynamics of the lattice model of intercalation of ions in crystals is considered in the mean field approximation. Pseudospin formalism is used for the description of interaction of electrons with ions and the possibility of…
We study the semiclassical dynamics of interacting electrons in a biased crystal lattice. A complex dynamical scenario emerges from the interplay between the Coulomb and the external electric fields. When the electrons are far apart, the…
The dynamics of electrons in the presence of a positive ion is considered for conditions of weak electron-electron couping but strong electron-ion coupling. The equilibrium electron density and electric field time correlation functions are…
When atoms are organized into a crystal, the single-electron energy levels of individual atoms form energy bands. However, there also exist electron-pair states in atoms. We found previously that the counterpart of these electron-pair…
Among lattice configurations of densely packed hard ellipses, Monte Carlo simulations are used to identify the so-called parallel and diagonal lattices as the two favourable states. The free energies of these two states are computed for…
The electrostatic field energy due to two fixed pointlike charges shows some peculiar features concerning the distribution in space of the field energy density of the system. Here we discuss the evaluation of the field energy and the…
The electron residual energy originated from the stochastic heating in under-dense field-ionized plasma is here investigated. The optical response of plasma is initially modeled by using the concept of two counter-propagating…
A theory of the static electron polarizability of crystals whose energy spectrum is modified by quantizing magnetic fields is presented. It is argued that The polarizability is strongly affected by non-dissipative Hall currents induced by…
The crystallization of proteins or colloids is often hindered by the appearance of aggregates of low fractal dimension called gels. Here we study the effect of electrostatics upon crystal and gel formation using an analytic model of hard…
The relationship between the energy total splitting $\Delta E$ of the free-ion electron states in the axial crystal-fields and the second moment of that splitting $\sigma^{2}$ is thoroughly investigated. The non-Kramers and Kramers states…
This paper is devoted to the analysis of the divergence of the electron self-energy in classical electrodynamics. To do so, we appeal to the theory of distributions and a method for obtaining corresponding extensions. At first sight,…
We study the homogenized energy densities of periodic ferromagnetic Ising systems. We prove that, for finite range interactions, the homogenized energy density, identifying the effective limit, is crystalline, i.e. its Wulff crystal is a…
We demonstrate that the melting points and other thermodynamic quantities of the alkali metals can be calculated based on static crystalline properties. To do this we derive analytic interatomic potentials for the alkali metals fitted…
We consider finite discrete systems consisting of two different atomic types and investigate ground-state configurations for configurational energies featuring two-body short-ranged particle interactions. The atomic potentials favor some…
Electrostatic solitary waves with negative potential (ion holes) are analyzed theoretically using a generalization of the treatment recently developed for slow electron holes. It is shown that an often-cited criterion for their existence is…
The calculation of the discrete atomistic energy of a crystal near the continuum limit encounters difficulties caused by the geometric discrepancy between the continuum region occupied by the body, and the discrete collection of lattice…
A new method to determine electron correlation energy is described. This method is based on a better representation of the potential due to interacting electrons that is obtained by specifying both the average and standard deviation. The…
Using a thermodynamic integration scheme, we compute the free energy cost per unit area, $\gamma$, of forming an interface between a crystal and a frozen structured wall, formed by particles frozen into the same equilibrium structure as the…
The binding of clusters of metal nanoparticles is partly electrostatic. We address difficulties in calculating the electrostatic energy when high charging energies limit the total charge to a single quantum, entailing unequal potentials on…
In the framework of the LDA+U approximation we propose the direct way of calculation of crystal-field excitation energy and apply it to La and Y titanates. The method developed can be useful for comparison with the results of spectroscopic…