20 citations · 43 across the 5 of their papers we have counts for
5 papers
Fitting of the TB-SMA interatomic potentials for Pt/Cu(111) surface alloy
S. A. Dokukin, S. V. Kolesnikov, A. M. Saletsky +1
In this paper we present new parameters of the TB-SMA interatomic potentials for the Pt/Cu(111) surface alloy. The parameters are fitted using both the experimental and {\it ab ini…
Functionalizing Fe adatoms on Cu(001) as a nanoelectromechanical system
Michael Schuler, Levan Chotorlishvili, Marius Melz +4
This study demonstrates how the spin quantum dynamics of a single Fe atom adsorbed on Cu(001) can be controlled and manipulated by the vibrations of a nearby copper tip attached to…
Molecular dynamics simulation of graphene on Cu(111) with different Lennard-Jones parameters
A. V. Sidorenkov, S. V. Kolesnikov, A. M. Saletsky
The interaction between graphene and copper (111) surface have been investigated using the molecular dynamics simulations. We have shown that it is possible to fit Lennard-Jones po…
Effect of quantum confinement of surface electrons on an atomic motion on nanoislands
A. S. Smirnov, N. N. Negulyaev, L. Niebergall +3
Ab initio calculations and kinetic Monte Carlo simulations demonstrate that the quantum confinement of surface electrons to nanoislands can significantly affect the growth process…
Ab initio approach for atomic relaxations in supported magnetic clusters
V. S. Stepanyuk, A. L. Klavsyuk, L. Niebergall +3
We present a newly developed scheme for atomic relaxations of magnetic supported clusters. Our approach is based on the full potential Korringa-Kohn-Rostoker Green's function metho…