Materials, Vol. 16, Pages 2417: CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films

Materials, Vol. 16, Pages 2417: CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films

Materials doi: 10.3390/ma16062417

Authors: Philipp Keuter Moritz to Baben Shamsa Aliramaji Jochen M. Schneider

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