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DS: Fachverband Dünne Schichten
DS 4: 2D Materials and their Heterostructures II (joint session DS/HL)
DS 4.8: Vortrag
Dienstag, 18. März 2025, 12:00–12:15, H3
Probing the electronic band structure of the 2D magnetic materials MPS3 (M=Fe,Ni) across magnetic phase transitions — •Jeff Strasdas1, Benjamin Pestka1, Biplab Bhattacharyya1, Adam K. Budniak2, Marcus Liebmann1, Niklas Leuth1, Honey Boban3, Lutz Waldecker1, Bernd Beschoten1, Christoph Stampfer1, Lukasz Plucinski3, Efrat Lifshitz2, and Markus Morgenstern1 — 1II. Inst. Phys. B and JARA-FIT, RWTH, Aachen, Germany — 2Schulich Chem. Fac., Solid State Inst., Russell Berrie Nanotech. Inst., Helen Diller Quantum Center, Technion - Israel Inst. of Technology, Haifa, Israel — 3Forschungszentrum Jülich, Peter Grünberg Inst. (PGI-6), Jülich, Germany
We investigate the band structure of the van der Waals materials FePS3 [1] and NiPS3, both 2D antiferromagnetic insulators, using μm-scale Angular Resolved Photoelectron Spectroscopy (ARPES), above and below their Néel temperatures (TN). The data is compared with DFT+U calculations and simplified selection rules to deduce the orbital character of changing bands. In FePS3, we observe three distinct band structure changes across TN, involving bands with Fe 3d, S 3p, and pure P 3p character, reflecting the intricate competition of direct exchange between Fe atoms and superexchange via S and P atoms. In NiPS3, we identify one band shift near Γ across TN, containing a band of mixed Ni and S character. Here, pronounced deviations from the DFT+U calculations indicate more complex electronic correlations. Moreover, we refine the photoelectron selection rules using ARPES data from CrPS4. [1] B. Pestka et al. doi:10.1021/acsnano.4c12520
Keywords: magnetic 2D materials; angular resolved photoelectron spectroscopy; layered magnetism; density functional theory; transition metal phosphorus trisulfides