Type-III Weyl semi-half-metal in an ultralight monolayer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>Li</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:mi mathvariant="normal">N</mml:mi> </mml:mrow> </mml:math

The interplay between magnetic ordering and band topology has emerged as a fertile ground for discovering novel quantum states with profound implications for fundamental physics and next-generation electronics. Here, we theoretically predict a different type-III Weyl semi-half-metal (SHM) state in monolayer ${\mathrm{Li}}_{2}\mathrm{N}$, uniquely combining magnetic half-metallicity and type-III Weyl semimetal characteristics. First-principles calculations reveal a fully spin polarized and critically tilted Weyl cone around the Fermi level in monolayer ${\mathrm{Li}}_{2}\mathrm{N}$, driven by $p$-orbital ferromagnetism. This arises from the symmetry-protected band crossing between a partially flat valence band and a highly dispersive conduction band, leading to type-III Weyl fermions with strong transport anisotropy. A low-energy $k\ifmmode\cdot\else\textperiodcentered\fi{}p$ Hamiltonian is constructed and corresponding nontrivial edge states are uncovered to capture the topological nature of ${\mathrm{Li}}_{2}\mathrm{N}$. Notably, this Weyl SHM phase remains robust under biaxial strain ranging from $\ensuremath{-}2%$ to $4%$, with an ideal type-III Weyl fermion emerging alongside a linelike ergodic surface emerging at $3.7%$ strain, offering a promising platform for exploring correlated electronic phenomena. Our results establish ${\mathrm{Li}}_{2}\mathrm{N}$ as a viable candidate for realizing exotic type-III Weyl SHM states and open an avenue for exploring the intricate interplay among magnetism, topology, and flat-band physics.

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Journal
Physical review. B./Physical review. B
Published
2025-11-20
DOI
https://doi.org/10.1103/vqdz-12bz
Primary Topic
Topological Materials and Phenomena
Type
article
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Type-III Weyl semi-half-metal in an ultralight monolayer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>Li</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:mi mathvariant="normal">N</mml:mi> </mml:mrow> </mml:math

Q.F. Li, Run-Wu Zhang, Lidian Chen, Botao Fu
Physical review. B./Physical review. B
Topological Materials and Phenomena
article

Type-III Weyl semi-half-metal in an ultralight monolayer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>Li</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:mi mathvariant="normal">N</mml:mi> </mml:mrow> </mml:math

Q.F. Li, Run-Wu Zhang, Lidian Chen, Botao Fu
article en

Abstract

The interplay between magnetic ordering and band topology has emerged as a fertile ground for discovering novel quantum states with profound implications for fundamental physics and next-generation electronics. Here, we theoretically predict a different type-III Weyl semi-half-metal (SHM) state in monolayer ${\mathrm{Li}}_{2}\mathrm{N}$, uniquely combining magnetic half-metallicity and type-III Weyl semimetal characteristics. First-principles calculations reveal a fully spin polarized and critically tilted Weyl cone around the Fermi level in monolayer ${\mathrm{Li}}_{2}\mathrm{N}$, driven by $p$-orbital ferromagnetism. This arises from the symmetry-protected band crossing between a partially flat valence band and a highly dispersive conduction band, leading to type-III Weyl fermions with strong transport anisotropy. A low-energy $k\ifmmode\cdot\else\textperiodcentered\fi{}p$ Hamiltonian is constructed and corresponding nontrivial edge states are uncovered to capture the topological nature of ${\mathrm{Li}}_{2}\mathrm{N}$. Notably, this Weyl SHM phase remains robust under biaxial strain ranging from $\ensuremath{-}2%$ to $4%$, with an ideal type-III Weyl fermion emerging alongside a linelike ergodic surface emerging at $3.7%$ strain, offering a promising platform for exploring correlated electronic phenomena. Our results establish ${\mathrm{Li}}_{2}\mathrm{N}$ as a viable candidate for realizing exotic type-III Weyl SHM states and open an avenue for exploring the intricate interplay among magnetism, topology, and flat-band physics.

Physical review. B./Physical review. BVol. 112(19)
Beijing Institute of Technology (CN), Sichuan Normal University (CN)
Openalex Percentile: Top 72%
Topological Materials and Phenomena
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