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arXiv 2405.01005cond-mat.mtrl-scicond-mat.str-el
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kagome反铁磁体Mn$_3X$(X=Sn, Ge, Ga)的相关拓扑能带结构

Correlated topological band structures of the kagome altermagnets Mn$_3X$ ($X=$ Sn, Ge, Ga)

Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences(中国科学院物理研究所);School of Physical Sciences, University of Chinese Academy of Sciences(中国科学院大学物理科学学院);Institute of Quantum Materials and Physics, Henan Academy of Sciences(河南省科学院量子材料物理研究所);Institute for Applied Physics, University of Science and Technology Beijing(北京科技大学应用物理学院);Songshan Lake Materials Laboratory(松山湖材料实验室)

Yingying Cao, Yuanji Xu, Yi-feng Yang

AI总结:

研究揭示kagome反铁磁体Mn$_3X$的拓扑能带结构与电子相关性之间的关系,强调超越DFT处理对理解其磁性、电子和拓扑性质的重要性,并预测电子掺杂可能提高其异常霍尔电导率。

摘要:

拓扑能带结构与电子相关性之间的相互作用可能导致新型量子现象,具有潜在应用。第一性原理计算对于指导实验发现和解释至关重要,但如果无法正确处理电子相关性,则往往失效。在这里,我们表明这一问题也出现在kagome反铁磁体Mn$_3X$(X=Sn, Ge, Ga)中,这些材料被认为由于接近费米能级的拓扑能带结构中的韦尔节点而表现出大的异常霍尔效应。我们的系统研究揭示了超越DFT处理对其磁性、电子和拓扑性质三个关键方面的重要性:(1)非列线性反铁磁序的建立,(2)与角分辨光电子能谱实验高度一致的弱重整化能带结构,(3)韦尔节点的敏感调节。我们的工作为理解Mn$_3X$家族的拓扑性质提供了统一基础,这挑战了基于DFT能带结构的先前实验解释,并预测在Mn$_3$Ga中通过电子掺杂可能实现更高的异常霍尔电导率。这强调了在理解拓扑磁性材料时,超越DFT的关联意识框架的重要性。

英文摘要:

The interplay of topological band structures and electronic correlations may lead to novel quantum phenomena with potential applications. First-principles calculations are critical for guiding experimental discoveries and interpretations, but often fail if electronic correlations cannot be properly treated. Here we show that this issue occurs also in the kagome altermagnets Mn$_3X$ ($X=$ Sn, Ge, Ga), which were believed to exhibit large anomalous Hall effect due to topological band structures with Weyl nodes near the Fermi energy. Our systematic investigations reveal critical importance of beyond-DFT treatments on three key aspects of their magnetic, electronic, and topological properties: (1) establishment of noncollinear altermagnetic orders, (2) weakly renormalized band structures in excellent agreement with angle-resolved photoemission spectroscopy experiment, and (3) sensitive tuning of the Weyl nodes. Our work provides a unified basis for understanding topological properties of the Mn$_3X$ family, which challenges previous experimental interpretations based on DFT band structures and predicts potentially higher anomalous Hall conductivity in Mn$_3$Ga under electron doping. This underscores the importance of a correlation-aware framework beyond DFT in understanding topological magnetic materials.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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