Atomic structure of Ni nanoclusters on Cu(001) surfaces

Abstract

Depositions of different Ni cluster nanostructures on a Cu (001) surface have been simulated by molecular dynamics. Ni clusters (a few monolayers) with different structure have been softly deposited on a Cu (001) surface. The system was afterwards driven to the minimum energy state. The bombardment energy was varied between 0 and 1 eV/atom. The difference in the Ni and Cu lattice parameters (2.6%) gives rise to strain near the interface, which is the cause of magnetoelastic anisotropy. We have focused our interest especially on matching effects. Final atomic structures of the clusters and present lattice defects have been analysed. Mean changes in the lattice parameters have been quantified near the interface. A study of atomic mixing at the interface and of its influence in the matching is also accomplished.

Strain relief through stair-rod dislocations in ultrathin epitaxial metal films: Defect geometry and energetics

“…10 Molecular-dynamics simulations of the deposition of Ni nanoclusters on Cu͑100͒ found stair rods locked at the interface after Shockley partial dislocations on different slip planes have met there. 11 Yet, this formation sensitively depends on the layer thickness and energy of the Ni cluster arriving at the Cu surface. So, in parallel investigations 12 formation of the defects was observed for clusters of at least 8 ML thickness.…”

Molecular dynamics study of roughness and stress evolution using a Lennard–Jones potential

“…Recently, several authors proposed MD simulation and kinetic Monte Carlo simulation [1][2][3][4][5][6][7] to understand changes of the structure in growing films and their final properties. In particular, Paik et al [1] used MD simulation to study the growth process on various orientations of a fcc substrate using Lennard-Jones potential.…”

“…Many of the above quoted publications concentrated on the modelling the real systems. The results of MD simulation of films of Co on Cu (001) [4] and Ni on Cu (001) [5] showed that these films exhibit a pseudomorphic growth. Moreover, it was also demonstrated that numerous parameters can affect the properties of the films.…”