CRITICAL THICKNESS FOR Nb NANOFILM ON SAPPHIRE SUBSTRATE: AN EXAMPLE TOWARD UNDERSTANDING EVOLUTION OF COHERENT NANOSTRUCTURES
On growth beyond critical thickness, interfacial misfit dislocations partially relax the misfit strains in epitaxially grown nanofilms. In this study the stress state and growth of nanofilms are simulated using Finite Element Method (FEM) by imposing stress-free strains, corresponding to the lattice mismatch between Nb nanofilm and Sapphire substrate. On growth of the Nb nanofilm, a triangular network of edge misfit dislocations nucleates at the (0001) Al 2 O 3∥(111) Nb interface. Using a combined simulation of a coherently strained nanofilm and an edge dislocation, the critical thickness for the nucleation of an edge dislocation is determined using an equilibrium energy criterion. Theoretical analyses in literature use only the component of the Burgers vector parallel to the interface, which is an erroneous description of the stress state and energetics of the system. In this investigation the full interfacial edge dislocation is simulated using standard commercially available software and comparisons are made with results available in literature to bring out the utility of the methodology.