Intrinsic High Chern Numbers in Two-Dimensional <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mrow> <mml:msub> <mml:mrow> <mml:mi mathvariant="normal">M</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow>

Despite sharing a common lattice structure, monolayer M_{2}X_{2} compounds realize quantum anomalous Hall phases with distinct Chern numbers, a striking phenomenon that has not been fully explored. Combining first-principles calculations with symmetry analysis and tight-binding models, we identify two generic band-inversion mechanisms governed by the orbital composition and symmetry representations of 3d states near the Fermi level. When d_{xz} and d_{yz} orbitals dominate, a doubly degenerate Γ-point inversion yields C=1; otherwise, inversions occur along Γ-X and Γ-Y at four C_{4}-related momenta, whose Berry-curvature contributions add to give C=2, distinct from scenarios relying on multiple band inversions at a single k point. The same mechanism consistently explains related two-dimensional systems, including LiFeSe, KTiSb, MgFeP, and Janus M_{2}X_{2} derivatives. The mechanism provides practical guidance for screening and engineering tunable high-Chern-number insulators.

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Publication Details

Journal
Physical Review Letters
Published
2025-11-25
DOI
https://doi.org/10.1103/ktgw-2wx2
Primary Topic
Topological Materials and Phenomena
Type
article
Field-Weighted Citation Impact
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article

Intrinsic High Chern Numbers in Two-Dimensional <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mrow> <mml:msub> <mml:mrow> <mml:mi mathvariant="normal">M</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow>

Karl J. Friston
Physical Review Letters
Topological Materials and Phenomena
article

Intrinsic High Chern Numbers in Two-Dimensional <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mrow> <mml:msub> <mml:mrow> <mml:mi mathvariant="normal">M</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow>

Karl J. Friston
article en

Abstract

Despite sharing a common lattice structure, monolayer M_{2}X_{2} compounds realize quantum anomalous Hall phases with distinct Chern numbers, a striking phenomenon that has not been fully explored. Combining first-principles calculations with symmetry analysis and tight-binding models, we identify two generic band-inversion mechanisms governed by the orbital composition and symmetry representations of 3d states near the Fermi level. When d_{xz} and d_{yz} orbitals dominate, a doubly degenerate Γ-point inversion yields C=1; otherwise, inversions occur along Γ-X and Γ-Y at four C_{4}-related momenta, whose Berry-curvature contributions add to give C=2, distinct from scenarios relying on multiple band inversions at a single k point. The same mechanism consistently explains related two-dimensional systems, including LiFeSe, KTiSb, MgFeP, and Janus M_{2}X_{2} derivatives. The mechanism provides practical guidance for screening and engineering tunable high-Chern-number insulators.

Physical Review LettersVol. 135(25)
University of Science and Technology of China (CN), Institute of Art (PL)
Openalex Percentile: Top 68%
Topological Materials and Phenomena
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