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MA: Fachverband Magnetismus
MA 10: Electron Theory of Magnetism and Correlations/Other Theory
MA 10.7: Talk
Monday, March 18, 2024, 16:45–17:00, EB 107
Magneto structural correlations in the binary compound Cr3Se4 — •Helge Rosner, Seojin Kim, Yurii Prots, Marcus Schmidt, and Michael Baenitz — Max-Planck-Institut für Chemische Physik fester Stoffe, 01187 Dresden, Germany
Cr3Se4 crystallises in a monoclinic lattice, structurally closely related to the rhombohedral chalcogenite delafossite-like systems ACrX2 with A = Na, Cu, Ag and X = S, Se. In contrast to these intrinsically semiconducting materials with a nonmagnetic monovalent A site, in Cr3Se4 the distorted triangular CrSe2 layers are separated by a formally trivalent and magnetic ion. Motivated by the reported exotic physical properties of the ternary ACrX2 compounds, like multiferroic behaviour, unconventional magnetic ordering or anomalous Hall conductivity, we present here an ongoing joint experimental and theoretical study of the related binary material Cr3Se4. The metallic system undergoes an antiferromagnetic ordering at about 160 K which is strongly coupled to the crystal lattice. Density functional band structure calculations show that the conduction bands originate from strongly hybridised Cr-Se states with sizeable spin-orbit interaction. In a detailed comparison, we will highlight the similarities and differences between Cr3Se4 and the chalcogenite delafossites.
Keywords: electronic structure; density functional theory