Origin of pressure-induced anomalies in the nodal-line ferrimagnet Mn$_3$Si$_2$Te$_6$

Fuente: arXiv
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Autori principali: Venkatasubramanian, Varun, Shimizu, Makoto, Guterding, Daniel, Jeschke, Harald O.
Natura: Preprint
Pubblicazione: 2025
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author Venkatasubramanian, Varun
Shimizu, Makoto
Guterding, Daniel
Jeschke, Harald O.
author_facet Venkatasubramanian, Varun
Shimizu, Makoto
Guterding, Daniel
Jeschke, Harald O.
contents A pressure-induced insulator-to-metal transition (IMT) has recently been discovered in the nodal-line ferrimagnet Mn$_3$Si$_2$Te$_6$. The electronic phase transition is accompanied by anomalies in the magnetic ordering temperature and the anomalous Hall conductivity, which peak at or near the critical pressure of the IMT. We perform density functional theory (DFT) calculations as a function of pressure to establish the connection between the IMT and the magnetic anomalies in Mn$_3$Si$_2$Te$_6$. We extract Heisenberg Hamiltonians as a function of pressure based on our DFT calculations. Our classical Monte Carlo simulations for these Hamiltonians yield ordering temperatures and magnetic ordering patterns, in agreement with the experimental data. Although we can accurately explain the evolution of magnetism with pressure, it seems that the anomalous Hall conductivity in Mn$_3$Si$_2$Te$_6$ can only be accounted for by extrinsic contributions or moderate electron doping of the samples in the experiment.
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id arxiv_https___arxiv_org_abs_2509_18238
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Origin of pressure-induced anomalies in the nodal-line ferrimagnet Mn$_3$Si$_2$Te$_6$
Venkatasubramanian, Varun
Shimizu, Makoto
Guterding, Daniel
Jeschke, Harald O.
Strongly Correlated Electrons
A pressure-induced insulator-to-metal transition (IMT) has recently been discovered in the nodal-line ferrimagnet Mn$_3$Si$_2$Te$_6$. The electronic phase transition is accompanied by anomalies in the magnetic ordering temperature and the anomalous Hall conductivity, which peak at or near the critical pressure of the IMT. We perform density functional theory (DFT) calculations as a function of pressure to establish the connection between the IMT and the magnetic anomalies in Mn$_3$Si$_2$Te$_6$. We extract Heisenberg Hamiltonians as a function of pressure based on our DFT calculations. Our classical Monte Carlo simulations for these Hamiltonians yield ordering temperatures and magnetic ordering patterns, in agreement with the experimental data. Although we can accurately explain the evolution of magnetism with pressure, it seems that the anomalous Hall conductivity in Mn$_3$Si$_2$Te$_6$ can only be accounted for by extrinsic contributions or moderate electron doping of the samples in the experiment.
title Origin of pressure-induced anomalies in the nodal-line ferrimagnet Mn$_3$Si$_2$Te$_6$
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2509.18238