Tunability of magnetic properties in the Ni-intercalated transition metal dichalcogenide
Phys. Rev. B 112, 184401 – Published 3 November, 2025
DOI: https://doi.org/10.1103/d94t-3vpd
Abstract
We study the magnetic and electronic properties of Ni-intercalated . We calculate the magnetic exchanges of ( and 1) and find that the out-of-plane magnetic coupling depends on the Ni connectivity: it is ferromagnetic when Ni atoms stack on top of each other and antiferromagnetic otherwise. Focusing on , we identify a ground-state transition from a stripe antiferromagnetic phase with Kramers degeneracy to a ferromagnetic phase above a critical Coulomb interaction . Spin-orbit coupling lowers , aligns the easy axis along , and stabilizes collinear antiferromagnetic and ferromagnetic states over the competing phase. Ni intercalation also strongly modifies the electronic structure, replacing the -point hole pocket of pristine with an electron pocket and shifting the Van Hove singularity away from the Fermi level, thereby suppressing potential instabilities. Finally, we investigate the altermagnetic phase in the broader class , finding that spin-orbit effects induce orbital antiferromagnetism with weak ferromagnetism or ferrimagnetism depending on the Néel vector orientation. Our results demonstrate that Ni-intercalated provides a versatile platform to explore and tune multiple competing magnetic phases that lie close in energy.