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 Li2N, 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 Li2N, 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·p Hamiltonian is constructed and corresponding nontrivial edge states are uncovered to capture the topological nature of Li2N. Notably, this Weyl SHM phase remains robust under biaxial strain ranging from −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 Li2N 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.
| Original language | English |
|---|---|
| Article number | 195126 |
| Pages (from-to) | 1-9 |
| Number of pages | 9 |
| Journal | Physical Review B |
| Volume | 112 |
| Issue number | 19 |
| DOIs | |
| Publication status | Published - 2026 |
| Externally published | Yes |
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