CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films

Materials, vol. 16, pp. 2417

Abstract

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.

Authors 4

1. Philipp Keuter corresponding Aachen Materials Chemistry

   GTT-Technologies (Germany) · RWTH Aachen University

   Affiliation as printed

   GTT-Technologies, Kaiserstraße 103, 52134 Herzogenrath, Germany

   Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, 52074 Aachen, Germany

2. Moritz to Baben

   GTT-Technologies (Germany)

   Affiliation as printed

   GTT-Technologies, Kaiserstraße 103, 52134 Herzogenrath, Germany

3. Shamsa Aliramaji Aachen Materials Chemistry

   RWTH Aachen University

   Affiliation as printed

   Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, 52074 Aachen, Germany

4. Jochen M. Schneider Aachen Materials Chemistry

   RWTH Aachen University

   Affiliation as printed

   Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, 52074 Aachen, Germany