Related papers: Cu self-sputtering MD simulations for 0.1-5 keV io…
The shape memory effect and pseudoelasticity in Cu nanowires is one possible pair of mechanisms that prevents high aspect ratio nanosized field electron emitters to be stable at room temperature and permits their growth under high electric…
We present molecular dynamics simulations of the influence of point defects on the shear elastic coefficients of copper. We find that vacancies do not influence these coefficients at all, while the introduction of interstitials causes a…
Surface oxidation of high-purity copper is accelerated under tribological loading. Tribo-oxide formation at room temperature is associated with diffusion processes along defects, such as dislocations or grain boundaries. Here, we embark on…
A yield surface of a material is a set of critical stress conditions beyond which macroscopic plastic deformation begins. For crystalline solids, plastic deformation occurs through the motion of dislocations, which can be captured by…
Transition metal impurities such as nickel, copper, and iron, in solid-state materials like silicon have a significant impact on the electrical performance of integrated circuits and solar cells. To study the impact of copper impurities…
Motivated by an experimental interest we investigate by the means of atomistic Molecular Dynamics simulation the ability of density-independent, empiric density-dependent, and recently proposed embedded-atom force fields for liquid mercury…
We perform a joint experimental-theoretical study of the electrochemical oxidation of CO on copper (Cu) under alkaline conditions. Using cyclic voltammetry on Cu single crystal surfaces, we demonstrate that both Cu terraces and steps show…
The intrinsic instability of underdoped copper oxides towards inhomogeneous states is one of the central puzzles of the physics of correlated materials. The influence of the Mott physics on the doping-temperature phase diagram of copper…
An approach to calculation of the ionized impurity and surface roughness scattering rates of electrons in very thin semiconductor quantum wires taking into account the energy level broadening is worked out. It is assumed that all the…
The energetics of transition and noble metal (Rh, Pd, Cu) vicinal surfaces, i.e., surface energy, step energy, kink energy and electronic interactions between steps, is studied at 0K from electronic structure calculations in the…
Erosion of surface atoms of solid materials by ion bombardment (surface-sputtering) causes nano-ripples and quantum dots to self-organise on the surfaces. The self-organisation had been shown, in some sputtering experiments, to be…
We investigate single Ge and Ag impurities buried below a Cu(100) surface using low temperature scanning tunneling microscopy. The interference patterns in the local density of states are surface scattering signatures of the bulk…
The underpotential deposition of transition metal ions is a critical step in many electrosynthetic approaches. While underpotential deposition has been intensively studied at the atomic level, first-principles calculations in vacuum can…
It is experimentally observed and theoretically proved that the distance between topmost layers of a metal surface has a contraction. However, well-known potentials such as Lennard-Jones and Morse potentials lead to an expansion of the…
Chemical modifications such as intercalation can be used to modify surface properties or to further functionalize the surface states of topological insulators. Using ambient pressure X-ray photoelectron spectroscopy, we report copper…
A mean-field theory which satisfying the electron on-site local constraint in the relevant regime of density for the high temperature superconductors is developed. Within this approach, the electron spectral function, the electron…
An efficient approach for the simulation of ion scattering from solids is proposed. For every encountered atom, we take multiple samples of its thermal displacements among those which result in scattering with high probability to finally…
The sputtering of hexagonal boron nitride due to low energy xenon ion bombardments occurs in various applications including fabrication of cubic boron nitride and erosion of Hall thruster channel walls. At low ion energies, accurate…
Producing high-brightness and high-charge (>100 pC) electron bunches at blowout regime requires ultrashort laser pulses with high fluence. The effects of laser pulse heating of the copper photocathode are analyzed in this paper. The…
The contributions to the spin relaxation in copper (Cu) nanowires are quantified by carefully analyzing measurements of both charge and spin transport in lateral spin valves as a function of temperature and thickness. The temperature…