Understanding the Nanostructure Formation of the Templated Two-Phase Film Growth via Hybrid Modeling

• Published in: Crystal growth & design Vol. 17; no. 3; pp. 1016 - 1027
• Main Authors: Lu, Xiao, Lai, Boya, Sundar, Vignesh, Zhu, Jian-Gang, Laughlin, David E, Zhu, Jingxi
• Format: Journal Article
• Language: English
• Published: American Chemical Society 01.03.2017
• ISSN: 1528-7483; 1528-7505
• DOI: 10.1021/acs.cgd.6b01248

A hybrid model incorporating two methods, i.e., the Potts model Monte Carlo and the level set method, is developed to simulate the templated growth of a two-phase CoPt/SiO2 thin film. Previously it was demonstrated experimentally that the film grown on the prefabricated template followed the pattern of the template, forming a highly ordered microstructure. The simulation in this study investigates the physical mechanism by which such film growth behavior occurs and which parameters dictate the resultant microstructure. To correctly represent the physical process, the interfacial energies between different phases and the rate of each microevent to occur were established through the simulated film deposition on a flat substrate and subsequent comparison to the experimental observations. With the established interfacial energy and rate of microevents, the resultant film microstructure grown on the templated substrate is found to strongly depend on the geometries of domes fabricated on the template. The dominant mechanism of the formation of the microstructure is shown to shift from the surface energy gradient controlled lateral diffusion in the initial stage of film growth, which formed the rudiment of the ordered microstructure, to an interfacial energy controlled process, which retained the ordered microstructure in the later stage.