Related papers: Semi-infinite jellium: Step potential model
This work concerns \emph{ab initio} calculations of the complete potential energy curve and spectroscopic constants for the ground state $X^1\Sigma_g^+$ of the beryllium dimer, Be$_2$. High accuracy and reliability of the results is one of…
We solve the Weyl electron scattered by a spherical step potential barrier. Tuning the incident energy and the potential radius, one can enter both quasiclassical and quantum regimes. Transport features related to far-field currents and…
An ideal conductor electrode in contact with a semi-infinite two-dimensional two-component plasma in an external potential is considered. The model is mapped onto an integrable sine-Gordon theory with Dirichlet boundary conditions. The…
The results of a detailed study of the topological insulator Bi$_2$Se$_3$ surface state energy structure in the vicinity of surface steps using scanning tunneling microscopy and spectroscopy methods are presented. An increase in the…
The chemical potential of a metal film within the jellium model with taking into account the Coulomb interaction between electrons is calculated. The surface potential is modeled as the infinite rectangular potential well. The behavior of…
The binding energy of an electron in a material is a fundamental characteristic, which determines a wealth of important chemical and physical properties. For metal-organic frameworks this quantity is hitherto unknown. We present a general…
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…
Angle- and energy-loss- resolved distributions of helium atoms grazingly scattered from a Ag(110) surface along low indexed crystallographic directions are investigated considering impact energies in the few keV range. Final projectile…
Plenty of saddles on a multidimensional potential energy surface(PES) of two-dimensional microclusters, where atoms are interacting via Morse potential, are numerically located. The reaction paths emanating from the two types of the local…
The link between the energy surface of bulk systems and their dynamical properties is generally difficult to establish. Using the activation-relaxation technique (ART nouveau), we follow the change in the barrier distribution of a model of…
We study the potential and the charge distribution across the interface of a plasma and a dielectric wall. For this purpose, the charge bound to the wall is modelled as a quasi-stationary electron surface layer which satisfies Poisson's…
The potential energy of a deformed nucleus has been determined within a Generalized Liquid Drop Model taking into account the proximity energy, the microscopic corrections and compact and necked shapes. Multiple-humped potential barriers…
A still open issue in many-body theory is the asymptotic behavior of the exchange-correlation energy and potential in the vacuum region of a metal surface. Here we report a numerical study of the position-dependent exchange-correlation…
We explore the effect of an incommensurate potential on nodal-link semimetals. For system with surface states, we show the nodal-link semimetal undergoes a series of phase transitions: first into a metallic phase, then to a loop semimetal…
The surface diffusion potential landscape plays an essential role in a number of physical and chemical processes such as self-assembly and catalysis. Diffusion energy barriers can be calculated theoretically for simple systems, but there is…
A model for a MEMS device, consisting of a fixed bottom plate and an elastic plate, is studied. It was derived in a previous work as a reinforced limit when the thickness of the insulating layer covering the bottom plate tends to zero. This…
We report a general macroscopic theory for the electrodynamic response of semi-infinite metals (SIMs). The theory includes the hitherto overlooked capacitive effects due to the finite spatial extension of a surface. The basic structure of…
Motivated by the recent investigations on instabilities caused by Schwoebel barriers during growth and their effects on growth or sublimation by step flows, we have investigated, using the Stillinger-Weber potential, how this step edge…
The surface free energy is the difference between the free energies for a system with open boundary conditions and the same system with periodic boundary conditions. We use the quantum transfer matrix formalism to express the surface free…
For the contact of two finite portions of interacting rigid crystalline surfaces, we compute the dependence of the pinning energy barrier on the misfit angle and contact area. The resulting data are used to investigate the distribution of…