Tunable Dzyaloshinskii-Moriya interaction and topological spin textures in monolayer Janus-
Phys. Rev. B 113, 045411 – Published 9 January, 2026
DOI: https://doi.org/10.1103/cr5h-569p
Abstract
We systematically investigate the magnetic and electronic properties of the Janus- monolayer. Spin-polarized density functional theory (DFT) calculations reveal that the Janus- monolayer is an intrinsic 2D ferromagnetic half-metal with a high Curie temperature () of approximately 960 K. Heyd-Scuseria-Ernzerhof (HSE) calculations further indicate that the spin-down channel exhibits an indirect band gap of 3.348 eV, achieving 100% spin polarization. Moreover, this material exhibits an in-plane magnetic anisotropy energy (MAE) of 0.626 meV/unit cell with a strong Dzyaloshinskii-Moriya interaction (DMI) of 1.200 meV. Both MAE and DMI can be further enhanced via compressive strain and/or hole doping. Notably, under −0.5 e/unit cell hole doping, the DMI increases by approximately 128% compared with electron doping at the same concentration. Detailed analyses at the atomic level show that the MAE is governed by As atoms ( and orbitals). Atomic-layer-resolved DMI calculations and spin-orbit coupling energy difference () analysis also confirm that the of As atoms dominates in all cases except for hole doping. Atomistic spin dynamics simulations clearly reveal the evolution of topological spin textures from bimerons to skyrmions and demonstrate that hole doping combined with uniaxial strain greatly enriches the skyrmion population. This work not only uncovers the rich spintronic properties of the Janus- monolayer but also identifies it as a promising candidate for high-temperature, tunable 2D spintronic devices.