Hundness and band renormalization in the kagome antiferromagnets Mn_3X
arxiv(2024)
摘要
The interplay of topological band structures and electronic correlations may
lead to novel exotic quantum phenomena with potential applications.
First-principles calculations are critical for guiding the experimental
discoveries and interpretations, but often fail if electronic correlations
cannot be properly treated. Here we show that this issue occurs also in the
antiferromagnetic kagome lattice Mn_3X (X= Sn, Ge), which exhibit a large
anomalous Hall effect due to topological band structures with Weyl nodes near
the Fermi energy. Our systematic investigations reveal a crucial role of the
Hund's rule coupling on three key aspects of their magnetic, electronic, and
topological properties: (1) the establishment of noncollinear antiferromagnetic
orders, (2) the weakly renormalized bands in excellent agreement with ARPES,
and (3) a sensitive tuning of the Weyl nodes beyond previous expectations. Our
work provides a basis for understanding the topological properties of Mn_3X
and challenges previous experimental interpretations based on incorrect band
structures.
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