Freiburg 2019 – wissenschaftliches Programm
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FM: Fall Meeting
FM 65: Poster: Quantum & Information Science
FM 65.6: Poster
Mittwoch, 25. September 2019, 16:30–18:30, Tents
Anti-/correlations between environment and magnetism of Fe atoms in disordered magnetic Fe-Al-based materials — •Martin Friák1,2, Ivana Miháliková1,2, Nikola Koutná2,3, David Holec4, and Mojmír Šob2,1 — 1Institute of Physics of Materials, Czech Academy of Sciences, Brno, Czech Republic — 2Faculty of Science, Masaryk University, Brno, Czech Republic — 3Institute of Materials Science and Technology, TU Wien, Vienna, Austria — 4Montanuniversität Leoben, Leoben, Austria
The nano-scale structure of Fe-Al-based superalloys is formed by two coherently co-existing phases. They are typically Fe-rich, magnetic and at least partly chemically disordered [1-3]. Next to this intra-phase disorder, there are numerous interfaces which represent another compositional disorder affecting a few layers of atoms away from the interfaces [4,5]. These two types of disorder result in an enormous number of different local environments of Fe atoms. Importantly, local magnetic moments of Fe atoms are known to sensitively depend on surrounding atoms. We have performed high-throughput quantum-mechanical study of anti-/correlations between the local atomic environment of Fe atoms and their magnetic moments in Fe-Al-based superalloy phases.
[1] M. Friák et al., Materials 11 (2018) 1732.
[2] M. Friák et al., Crystals 9 (2019) 299.
[3] M. Friák et al., Materials 11 (2018) 1543.
[4] I. Miháliková et al., Nanomaterials 8 (2018) 1059.
[5] M. Friák, D. Holec, M. Šob, Nanomaterials 8 (2018) 1057.