相关论文: Local Isoelectronic Reactivity of Solid Surfaces

The local density of states and response to an incident plane wave of a finite sized photonic crystal (PC) with nonlinear material (NLM) is analyzed. Of particular interest is the excitation of surface wave modes at the truncated surface of…

A local approximation for dynamic polarizability leads to a nonlocal functional for the long-range dispersion interaction energy via an imaginary-frequency integral. We analyze several local polarizability approximations and argue that the…

A dielectric solvation model is applied to the prediction of the equilibrium ionization of liquid water over a wide range of density and temperature with the objective of calibrating that model for the study of ionization in water of…

Liquid state Overhauser Effect Dynamic Nuclear Polarization (ODNP) has experienced a recent resurgence of interest. In particular, a new manifestation of the ODNP measurement measures the translational mobility of water within 5-10 \AA\ of…

Weyl semimetal is a three-dimensional material with a conical spectrum near an even number of point nodes, where two bands touch each other. Here we study spectral properties of surface electron states in such a system. We show that the…

Using polarization measurements in remote sensing and optical studies allows retrieving more information. We consider relationship between the reflection coefficients of plane and rough surfaces for linearly polarized waves. Certain…

A systematic approach for the construction of a density functional for van der Waals interactions that also accounts for saturation effects is described, i.e. one that is applicable at short distances. A very efficient method to calculate…

We investigate surface plasmons from a solid-state standpoint and highlight their ultra electron density sensitivity. When a surface plasmon is excited on a planar gold film by an evanescent wave from 625 nm incident light, only a minute…

The capacitance of an arbitrarily shaped object is calculated with the same second-kind integral equation method used for computing static and dynamic polarizabilities. The capacitance is simply the dielectric permittivity multiplied by the…

We study local spin polarization in the relativistic hydrodynamic model. Generalizing the Wigner functions previously obtained from chiral kinetic theory by Y. Hidaka et al. [Phys. Rev. D 97, 016004 (2018)] to the massive case, we present…

The low temperature surface resistance R_s of d-wave superconductors is calculated as function of frequency assuming normal state quasiparticle mean free paths l in excess of the penetration depth. Results depend strongly on the geometric…

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…

A calculation of the inelastic scattering rate of Xe atoms on Cu(111) is presented. We focus in the regimes of low and intermediate velocities, where the energy loss is mainly associated to the excitation electron-hole pairs in the…

We describe a novel method to measure the surface charge densities on optical fibers placed in the vicinity of a trapped ion, where the ion itself acts as the probe. Surface charges distort the trapping potential, and when the fibers are…

We present a first-principles calculation of the electronic properties of crystalline silicon and gallium arsenide in a uniform electric field. Polarized Wannier-like functions which are confined in a finite region are obtained by…

We calculate the properties of a graphene monolayer on the Ir(111) surface, using the model in which the periodicities of the two structures are assumed equal, instead of the observed slight mismatch which leads to a large superperiodic…

Localized Wannier functions provide an efficient and intuitive means by which to compute dielectric properties from first principles. They are most commonly constructed in a post-processing step, following total-energy minimization.…

We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation…

Surface-bound electric charge on polymer materials can strongly influence droplet behaviour and solid-liquid charge transfer, but the mechanisms and the means to control these effects remain unclear. In this work, we systematically…

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…