Modeling of metastable phase formation diagrams for sputtered thin films

Sci Technol Adv Mater. 2016 May 4;17(1):210-219. doi: 10.1080/14686996.2016.1167572. eCollection 2016.

Abstract

A method to model the metastable phase formation in the Cu-W system based on the critical surface diffusion distance has been developed. The driver for the formation of a second phase is the critical diffusion distance which is dependent on the solubility of W in Cu and on the solubility of Cu in W. Based on comparative theoretical and experimental data, we can describe the relationship between the solubilities and the critical diffusion distances in order to model the metastable phase formation. Metastable phase formation diagrams for Cu-W and Cu-V thin films are predicted and validated by combinatorial magnetron sputtering experiments. The correlative experimental and theoretical research strategy adopted here enables us to efficiently describe the relationship between the solubilities and the critical diffusion distances in order to model the metastable phase formation during magnetron sputtering.

Keywords: 300 Processing/Synthesis and Recycling; 306 Thin film/Coatings; 307 Kinetics and energy/mass transport; 40 Optical, magnetic and electronic device materials; 400 Modeling/Simulations; 401 1st principle calculations; 403 CALPHAD/Phase field methods; Combinatorial magnetron sputtering; Cu–W and Cu–V; metastable phase formation diagram; surface diffusion distance; thin film growth.