Monte Carlo Modelling of Structure and Porosity of Co-Deposited Layers

✍ Scribed by P. N. Maya; S. P. Deshpande; M. Warrier

• Publisher: John Wiley and Sons
• Year: 2006
• Tongue: English
• Weight: 166 KB
• Volume: 46
• Category: Article
• ISSN: 0005-8025
• DOI: 10.1002/ctpp.200610074

✦ Synopsis

A 3-dimensional Monte Carlo model for growth of hydrocarbon films on surfaces having dangling bonds is presented. The model is microscopic in the sense that it incorporates the stereoscopic orientations of the deposited hydrocarbons and macroscopic in that it considers shadowing effects and porosity. The parameters like surface roughness, porosity, H/C ratio and sp 2 /sp 3 ratio are related to (a) steric repulsion, (b) probability for hydrogen abstraction, (c) sp 2 /sp 3 configuration preference and (d) radical site densities. It is seen that the steric repulsion between the co-deposited molecules is an important parameter in deciding the micro-porosity and surface roughness of the films. The surface roughness of the grown films appears to show a consistent scaling exponent when compared to the well known ballistic model for nonlinear evolution of interfaces. Initial results on porosity and structure of the grown films for square samples ranging from 7-56 Å linear dimensions with periodic boundary conditions are presented.