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Robust ferromagnetism in hydrogenated graphene mediated by spin-polarized pseudospin

Title
Robust ferromagnetism in hydrogenated graphene mediated by spin-polarized pseudospin
Authors
Kim, HyunyoungBang, JunhyeokKang, Joongoo
DGIST Authors
Kang, Joongoo
Issue Date
2018-09
Citation
Scientific Reports, 8
Type
Article
Article Type
Article
Keywords
ROOM-TEMPERATURE FERROMAGNETISMAUGMENTED-WAVE METHODPOINT-DEFECTSMAGNETISMNANORIBBONSGRAPHITEMODEL
ISSN
2045-2322
Abstract
The origin of the ferromagnetism in metal-free graphitic materials has been a decade-old puzzle. The possibility of long-range magnetic order in graphene has been recently questioned by the experimental findings that point defects in graphene, such as fluorine adatoms and vacancies, lead to defect-induced paramagnetism but no magnetic ordering down to 2 K. It remains controversial whether collective magnetic order in graphene can emerge from point defects at finite temperatures. This work provides a new framework for understanding the ferromagnetism in hydrogenated graphene, highlighting the key contribution of the spin-polarized pseudospin as a “mediator” of long-range magnetic interactions in graphene. Using first-principles calculations of hydrogenated graphene, we found that the unique ‘zero-energy’ position of H-induced quasilocalized states enables notable spin polarization of the graphene’s sublattice pseudospin. The pseudospin-mediated magnetic interactions between the H-induced magnetic moments stabilize the two-dimensional ferromagnetic ordering with Curie temperatures of Tc = nH × 34,000 K for the atom percentage nH of H adatoms. These findings show that atomic-scale control of hydrogen adsorption on graphene can give rise to a robust magnetic order. © 2018, The Author(s).
URI
http://hdl.handle.net/20.500.11750/9341
DOI
10.1038/s41598-018-31934-0
Publisher
Nature Publishing Group
Related Researcher
  • Author Kang, Joongoo Computational Materials Theory Group
  • Research Interests Computational Materials Science & Materials Design; Nanomaterials for Energy Applications; Theoretical Condensed Matter Physics
Files:
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Collection:
Department of Emerging Materials ScienceComputational Materials Theory Group1. Journal Articles


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