Dresden 2026 – scientific programme
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FM: Fachverband Funktionsmaterialien
FM 6: Focus Session: Materials Discovery I – Material informatics
FM 6.8: Talk
Tuesday, March 10, 2026, 11:45–12:00, BEY/0138
Phase formation and stability of transition-metal solid solutions containing volatile elements — Martin Kostka1, Luqman Mustafa1, Jill Fortmann2, Aurelija Mockute2, Alan Savan2, Susanne Kunzmann3, Anna Grünebohm3, Alfred Ludwig2, Andreas Kreyssig1, and •Anna E. Böhmer1 — 1Experimental physics IV, Ruhr University Bochum, 44801 Bochum, Germany — 2Materials Discovery and Interfaces, Institute for Materials, Ruhr University Bochum, 44801 Bochum, Germany — 3Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr University Bochum, 44801 Bochum, Germany
In the combinatorial synthesis of thin films, multiple elements are simultaneously deposited to achieve well-defined composition gradients and create a materials library. However, including volatile elements directly into the combinatorial synthesis is a challenge. Here, we use instead a two-step synthesis process combining combinatorial cosputtering with a separate ex-situ reaction step with the volatile elements Se and Sb. In particular, we investigate the phase formation and stability of the (Fe,Ni)Sb2 and (Fe,Cr)Sb2 solid solutions in the orthorhombic marcasite structure. Further, we study the (Fe,Co)Se2 solid solution, which is on the brink of transformation from orthorhombic marcasite to cubic pyrite structure. Our preparation route with a separate low-temperature synthesis step permits detailed studies of solid solutions and phase diagrams at well-defined temperatures.
Keywords: intermetallic compounds; solid solution; marcasite; combinatorial synthesis