<p>A pressure-induced insulator-to-metal transition (IMT) has recently been discovered in the nodal-line ferrimagnet Mn<sub>3</sub>Si<sub>2</sub>Te<sub>6</sub>. 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<sub>3</sub>Si<sub>2</sub>Te<sub>6</sub>. 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<sub>3</sub>Si<sub>2</sub>Te<sub>6</sub> can only be accounted for by extrinsic contributions or moderate electron doping of the samples in the experiment.</p><p></p>

错误:搜索内容不能为空,请输入英文关键词
错误:关键词超出字数限制,请精简
高级检索

Origin of pressure-induced anomalies in the nodal-line ferrimagnet Mn3Si2Te6

  • Varun Venkatasubramanian,
  • Makoto Shimizu,
  • Daniel Guterding,
  • Harald O. Jeschke

摘要

A pressure-induced insulator-to-metal transition (IMT) has recently been discovered in the nodal-line ferrimagnet Mn3Si2Te6. 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 Mn3Si2Te6. 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 Mn3Si2Te6 can only be accounted for by extrinsic contributions or moderate electron doping of the samples in the experiment.