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MM: Fachverband Metall- und Materialphysik

MM 15: Computational Materials Modelling III - Bulk thermodynamics/ Phase Transitions I

MM 15.4: Talk

Monday, March 31, 2014, 16:30–16:45, IFW D

Thermally stable h.c.p.-based phases in Ni-W thin films — •Sascha B. Maisel¹, Silke J. B. Kurz², Andreas Leineweber², Stefan Müller¹, and Eric J. Mittemeijer^2,3 — ¹Institute of Advanced Ceramics, TUHH, 21073 Hamburg, Germany — ²Max Planck Institute for Intelligent Systems (formerly Max Planck Institute for Metals Research), 70569 Stuttgart, Germany — ³Institute for Materials Science, University of Stuttgart, 70569 Stuttgart, Germany

In this combined experimental and DFT-based study, we demonstrate that even though the Ni-W phase diagram shows no h.c.p.-based phases, h.c.p.-like stacking sequences can be observed in magnetron-cosputtered Ni-W thin films at W contents of 20 at.% to 25 at.%. The occurence of these h.c.p. domains is rationalized from first-principles calculations, showing that the vicinity of the system’s ground-state line is indeed populated with metastable h.c.p.-based structures in the intermediate concentration range from 20 to 50 at.%. The h.c.p.-like stacking in Ni-W is found to be thermally stable by performing extensive XRD analysis on samples before and after heat treatments up to 850 K.