Modeling of metastable phase formation diagrams for sputtered thin films

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:

• Combinatorial magnetron sputtering
• metastable phase formation diagram
• thin film growth
• surface diffusion distance
• Cu–W and Cu–V

Classification:

• 40 Optical, magnetic and electronic device materials
• 306 Thin film/Coatings
• 300 Processing/Synthesis and Recycling
• 401 1st principle calculations
• 400 Modeling/Simulations
• 403 CALPHAD/Phase field methods
• 400 Modeling/Simulations
• 307 Kinetics and energy/mass transport
• 300 Processing/Synthesis and Recycling

Disclosure statement

No potential conflict of interest was reported by the authors.

Acknowledgments

Ab initio calculations were performed with computing resources granted by JARA-HPC from RWTH Aachen University under project JARA0131. JMS gratefully acknowledges funding from the MPG fellow program.