CALPHAD-based modelling of the temperature-composition-structure relationship during physical vapor deposition of Mg-Ca thin films

TL;DR

This paper presents a CALPHAD-based model that predicts how temperature influences composition and phase formation in Mg-Ca thin films during PVD, aligning with experimental observations.

Contribution

The study introduces a CALPHAD-based approach incorporating sublimation fluxes to accurately model temperature-dependent phase formation in Mg-Ca thin films during PVD.

Findings

Model reproduces experimental temperature trends in composition.

Highlights importance of vapor pressure in phase formation.

Provides insights into controlling thin film properties.

Abstract

The temperature-dependent composition and phase formation during physical vapor deposition (PVD) of Mg-Ca thin films is modelled using a CALPHAD-based approach. Considering the Mg and Ca sublimation fluxes calculated based on the vapor pressure obtained by employing equilibrium thermochemical calculations, experimentally observed synthesis temperature trends in thin film composition and phase formation are reproduced. The model is a significant step towards understanding how synthesis parameters control composition and thereby phase formation in PVD of metals with high vapor pressures.