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Ferromagnetism at the edges of the stacked graphitic fragments: An ab initio study

Title
Ferromagnetism at the edges of the stacked graphitic fragments: An ab initio study
Authors
Lee H.Park N.Son Y.-W.Han S.Yu J.
Ewha Authors
한승우
Issue Date
2004
Journal Title
Chemical Physics Letters
ISSN
0009-2614JCR Link
Citation
Chemical Physics Letters vol. 398, no. 41277, pp. 207 - 211
Indexed
SCI; SCIE; SCOPUS WOS scopus
Document Type
Article
Abstract
We carry out first-principles density functional calculations to investigate electronic and magnetic structures of the stacked graphitic fragments. Ferromagnetically ordered ground states are found to be stable in the zigzag edges of an isolated graphene, regardless of whether or not the edges are passivated with hydrogen atoms. However, the localized moments in the hydrogen-terminated edge vanish upon stacking the graphite fragments. Interlayer and inter-edge interactions are investigated in detail, and it is found that dangling bonds are indispensable to the formation of the ferromagnetism at the edges of the stacked graphitic fragments. © 2004 Elsevier B.V. All rights reserved.
DOI
10.1016/j.cplett.2004.09.069
Appears in Collections:
자연과학대학 > 물리학전공 > Journal papers
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