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MM: Fachverband Metall- und Materialphysik
MM 19: Poster Session
MM 19.46: Poster
Dienstag, 10. März 2026, 18:00–20:00, P5
Beyond arsenopyrite’s monoclinic model: new insights on triclinic symmetry and local, chemically driven disorder in FeAs1−xS1+x — •Esteban Zuñiga-Puelles1,2, Ayberk Özden2, Nebahat Bulut2, Raul Cardoso-Gil3, Christoph Hennig4,5, Gerhard Heide2, Cameliu Himcinschi2, Jens Kortus2, and Roman Gumeniuk2 — 1Leibniz Institute for Solid State and Materials Research Dresden, Germany — 2TU Bergakademie Freiberg, Germany — 3Max Planck Institute for Chemical Physics of Solids, Dresden, Germany — 4Helmholtz-Zentrum Dresden-Rossendorf, Germany — 5European Synchrotron Radiation Facility, Grenoble, France
In this work, we revisit the structural description of different natural FeAs1−xS1+x specimens. High-resolution synchrotron PXRD reveals additional reflections incompatible with the commonly assumed monoclinic P21/c model but fairly consistent with triclinic P1 symmetry. Raman spectroscopy displays vibrational features deviating from monoclinic simulations, while Mössbauer spectra show multiple inequivalent Fe-sites linked to distinct local crystal electric fields. All samples show weak paramagnetism, and the magnetic moments decrease with increasing As-content, indicating that only a small portion of Fe-atoms resides in environments sufficiently distorted to cause deviations from the expected diamagnetism of low-spin Fe2+. Altogether, the structural, vibrational, and magnetic responses support a revised view of arsenopyrite as a complex Fe-based semiconductor, where local As/S symmetry disruptions and chemically driven disorder govern its physical properties.
Keywords: Arsenopyrite; Semiconductor chalcogenide; Structural disorder; Raman Spectroscopy; Mössbauer spectroscopy