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Achieving Altermagnetism in Monolayer Holey Graphyne via Atomic Manipulation

Materials Science 2025-08-28 v1 Computational Physics

Abstract

Achieving altermagnetism (AM) in two-dimensional materials is crucial for advancing the development of novel spintronic devices. This study introduces an innovative strategy to realize AM in monolayer materials by adsorbing non-magnetic spsp impurity atoms to construct planar bridges. Using holey graphyne (HGY) as the research object, first-principles calculations reveal that B and S impurity atoms can modulate the local electronic structure and trigger a superexchange mechanism, inducing a collinear compensated antiferromagnetic ground state with pronounced altermagnetic properties. Among these, the B adsorption system exhibits the best magnetic performance, with a Neˊ\rm \acute{e}el temperature reaching approximately 210 K. This work offers a flexible and effective strategy to achieve AM in single-atomic-layer materials and pp-electron systems.

Keywords

Cite

@article{arxiv.2504.04694,
  title  = {Achieving Altermagnetism in Monolayer Holey Graphyne via Atomic Manipulation},
  author = {Han-Bing Li and Zhi-Gang Shao},
  journal= {arXiv preprint arXiv:2504.04694},
  year   = {2025}
}