Work

Spin interactions in decorated graphene nanoflakes with two localized spin-1/2 entities

Year: 2025

Type: article

Abstract: Magnetic properties of graphene nanoflakes with designed edge shapes are theoretically analyzed by means of the first-principles calculation. As a starting point, we take a nanoflake with decorated zigzag edges where no magnetism is expected. Then, it is shown that removal of one decoration unit induces a well-defined localized spin-1/2 state. When two decoration units are removed, there arise two localized spin-1/2 states. Notably, when two spins are aligned in the same edge, the spin-spin interaction is ferromagnetic, while when two spins are aligned in the opposite edges, the spin-spin interaction is antiferromagnetic. This suggests that decorated nanoflakes form a promising playground for nanoscale spin devices with tunable spin-spin interactions by designing edge shapes.

Source: Materials Today Quantum

DOI: 10.1016/j.mtquan.2025.100041

Author: Toshikaze Kariyado

Institution: National Institute for Materials Science

Language: English

Topic: Graphene research and applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $2,770

Funders: University of Tokyo, Japan Society for the Promotion of Science, National Institute for Materials Science