Alloying Driven Antiferromagnetic Skyrmions on NiPS₃ Monolayer: A First‐Principles Calculation

Abstract

Topological magnetic states are promising information carriers for ultrahigh‐density and high‐efficiency magnetic storage. Recent advances in two‐dimensional (2D) magnets provide powerful platforms for stabilizing various nanometer‐size topological spin textures within a wide range of magnetic field and temperature. However, non‐centrosymmetric 2D magnets with broken inversion symmetry are scarce in nature, making direct observations of the chiral spin structure difficult, especially for antiferromagnetic (AFM) skyrmions. In this work, it is theoretically predicted that intrinsic AFM skyrmions can be easily triggered in XY‐type honeycomb magnet NiPS3 monolayer by alloying of Cr atoms, due to the presence of a sizable Dzyaloshinskii–Moriya interaction. More interestingly, the diameter of the AFM skyrmions in Ni3/4Cr1/4PS3 decreases from 12 to 4.4 nm as the external magnetic field increases and the skyrmion phases remain stable up to an external magnetic field of 4 T. These results highlight an effective strategy to generate and modulate the topological spin texture in 2D magnets by alloying with magnetic element.