Related papers: Development of an interatomic potential for phosph…
Atomic-level structural changes in materials are important but challenging to study. Here, we demonstrate the dynamics and the possibility of manipulating a phosphorus dopant atom in graphene using scanning transmission electron microscopy…
We present a theoretical study of the electronic transport through Pt nanocontacts. We show that the analysis of the tunnelling regime requires a very careful treatment of the technical details. For instance, an insufficient size of the…
We have investigated the influence of point defect disorder in the electronic properties of manganite films. Real-time mapping of ion irradiated samples conductivity was performed though conductive atomic force microscopy (CAFM). CAFM…
The acceleration of an spheroidal metal nanoparticle in an irradiation field with a frequency close to the surface plasmon vibration has been considered. Under the action of radiation pressure, the polarizability for nonspherical particle…
The cause of electron transfer in contact electrification is one of the most hotly debated physical problems today. In this study, the electron transfer is hypothesized to be partly driven by the surface dipole induced potential during…
The damping due to rare earth impurities in transition metals is discussed in the low concentration limit. It is shown that the increase in damping is mainly due to the coupling of the orbital moments of the rare earth impurities and the…
The accumulation of impurities in the core of magnetically confined plasmas, resulting from standard collisional transport mechanisms, is a known threat to their performance as fusion energy sources. Whilst the axisymmetric tokamak systems…
We provide a methodology for generating interatomic potentials for use in classical molecular dynamics simulations of atomistic phenomena occurring at energy scales ranging from lattice vibrations to crystal defects to high energy…
Defect engineering via parallel cracks has been proposed as a route to tailor the fracture response of graphene. However, atomistic fracture predictions can be strongly sensitive to the interatomic potential. Here, we quantify the effect of…
The electron transport through the parabolic quantum wire placed in longitudinal magnetic field in the presence of the system of short-range impurities inside the wire is investigated. Using approach based on the zero-range potential theory…
We present a comprehensive set of first principles electronic structure calculations to study transition metal solutes and their interactions with point defects in austenite. Clear trends were observed across the series. Solute-defect…
In materials with strong local Coulomb interactions, simple defects such as atomic substitutions strongly affect both macroscopic and local properties of the system. A nonmagnetic impurity, for instance, is seen to induce magnetism nearby.…
We investigate the combined effects of magnetic impurities and applied magnetic field on the interference contribution to the conductance of disordered metals. We show that in a metal with weak spin-orbit interaction, the polarization of…
One of the keys behind the success of the modern semiconductor technology has been the ion implantation of silicon, which allows its electronic properties to be tailored. For similar purposes, heteroatoms have been introduced into carbon…
The microscopic theory of chemical reactions is based on transition state theory, where atoms or ions transfer classically over an energy barrier, as electrons maintain their ground state. Electron transfer is fundamentally different and…
The coupling between localized magnetic moments and itinerant electrons presents a plethora of interesting physics. The low-energy physics of some quantum impurity systems can be described using conformal field theory (CFT). In this paper,…
Plasma boundary layers are susceptible to electrostatic instabilities driven by ion flows in presheaths and, when present, these instabilities can influence transport. In plasmas with a single species of positive ion, ion-acoustic…
We propose an interferometric measurement of weak forces using a single ion subjected to designed time-dependent spin-dependent forces. Explicit expressions of the relation between the unknown force and the final populations are found…
Phosphorus plays an essential role in the chemistry of living organisms, being present in several fundamental biomolecules. The investigation of chemical reactions taking place in different astronomical environments involving…
The capacity and stability of constituent electrodes determine the performance of Li-ion batteries. In this study, density functional theory is employed to explore the potential application of recently synthesized two dimensional…