Type-III Weyl Semi-Half-Metal in an Ultralight Monolayer Li$_2$N

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 new type-III Weyl semi-half-metal (SHM) state in monolayer Li$_2$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 Li$_2$N, driven by $p$-orbital ferromagnetism. This arises from the symmetry-protected band crossing between a flat valence band and a highly dispersive conduction band, leading to type-III Weyl fermions with strong transport anisotropy. A low-energy $k{\cdot}p$ Hamiltonian is constructed and corresponding nontrivial edge states are uncovered to capture the topological nature of Li$_2$N. 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 line-like ergodic surface emerging at 3.7$\%$ strain, offering a promising platform for exploring correlated electronic phenomena. Our results establish Li$_2$N as a viable candidate for realizing exotic type-III Weyl SHM states and open a new avenue for exploring the intricate interplay among magnetism, topology, and flat-band physics.