Achieving Altermagnetism in Monolayer Holey Graphyne via Atomic Manipulation

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 $sp$ 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 N$\rm \acute{e}$el temperature reaching approximately 210 K. This work offers a flexible and effective strategy to achieve AM in single-atomic-layer materials and $p$-electron systems.