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TT: Fachverband Tiefe Temperaturen

TT 21: Electron Theory of Magnetism and Correlations (joint session MA/TT)

TT 21.1: Vortrag

Montag, 9. März 2026, 15:00–15:15, POT/0151

Origin of pressure-induced anomalies in the nodal-line ferrimagnet Mn₃Si₂Te₆ — Varun Venkatasubramanian¹, Makoto Shimizu², •Daniel Guterding³, and Harald O. Jeschke¹ — ¹Research Institute for Interdisciplinary Science, Okayama University, Okayama, Japan — ²Department of Physics, Graduate School of Science, Kyoto University, Kyoto, Japan — ³Technische Hochschule Brandenburg, Brandenburg an der Havel, Germany

The nodal-line ferrimagnet Mn₃Si₂Te₆ exhibits a pressure-induced insulator-to-metal transition (IMT), which coincides with pronounced anomalies in its magnetic ordering temperature and anomalous Hall conductivity. We employ density functional theory (DFT) in combination with classical Monte Carlo simulations to elucidate the origin of these effects. Pressure-dependent Heisenberg Hamiltonians extracted from DFT reveal a strong evolution of exchange couplings across the structural transition from the trigonal to the monoclinic phase, producing a dome-shaped variation of the ferrimagnetic ordering temperature in quantitative agreement with experiment. While our simulations capture the pressure-driven IMT and magnetic evolution, the anomalous Hall response cannot be fully explained by intrinsic Berry curvature effects, indicating additional extrinsic contributions.

[1] V. Venkatasubramanian, M. Shimizu, D. Guterding, and H. O. Jeschke, Origin of pressure-induced anomalies in the nodal-line ferrimagnet Mn₃Si₂Te₆, arXiv:2509.18238

Keywords: magnetism; van der Waals materials; anomalous Hall effect; density functional theory; high pressure