2008/02/29 by Oleg V. Yazyev · 3 citations
Engineering · Materials Science · Physics and Astronomy · #Advancements in Battery Materials #Graphene research and applications #Graphite, nuclear technology, radiation studies #cond-mat.dis-nn #cond-mat.mes-hall #cond-mat.mtrl-sci #cond-mat.str-el
paper · pdf · doi:10.1103/physrevlett.101.037203
published as Phys. Rev. Lett. 101, 037203 (2008) · 4 pages, 3 figures
openalex publication_date 2008/07/15 · arxiv created 2008/07/17 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30
The magnetic properties of disordered graphene and irradiated graphite are systematically studied using a combination of mean-field Hubbard model and first-principles calculations. By considering large-scale disordered models of graphene, I conclude that only single-atom defects can induce ferromagnetism in graphene-based materials. The preserved stacking order of graphene layers is shown to be another necessary condition for achieving a finite net magnetic moment of irradiated graphite. Ab initio calculations of hydrogen binding and diffusion and of interstitial-vacancy recombination further confirm the crucial role of stacking order in pi-electron ferromagnetism of proton-bombarded graphite.