Kinetic Monte Carlo simulation of Ni nanowires on Cu(1 0 0) stepped surfaces

Abstract

In this paper we use Kinetic Monte-Carlo (KMC) simulations based on the solid-on-solid model to determine optimum growth parameters, such as deposition rate F, substrate temperature T and coverage rate θ for growing “perfect” Ni nanowires on Cu(1 0 0) vicinal surfaces. The heteroepitaxial growth of mono-atomic wires on a Cu surface is performed over a large range of temperature, varying between 50 K and 560 K. We found that ‘perfect’ mono-atomic wires are formed at the step-edge of Cu vicinal surface in the temperature range [400 K−500 K]. Different atomistic mechanisms may intervene in favoring adatom attachment to surface steps, thus allowing nanowires growth. We discussed how the magnitude of the Ehrlich-Schwoebel barrier affects the filling rate and the uniformity of Ni nanowires. Our results were compared to the available experimental and theoretical results and seem advantageous for a better understanding of the nanowires formation. Keywords: Monte-Carlo simulations, Growth, Vicinal surface, Ni nanowires, Cu vicinal surface