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Park, Noejung
Computational Physics & Electronic Structure Lab.
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Magnetic ordering at the edges of graphitic fragments: Magnetic tail interactions between the edge-localized states

Author(s)
Lee, HSon, YWPark, NoejungHan, SWYu, JJ
Issued Date
2005-11
DOI
10.1103/PhysRevB.72.174431
URI
https://scholarworks.unist.ac.kr/handle/201301/8516
Fulltext
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=29544437003
Citation
PHYSICAL REVIEW B, v.72, no.17
Abstract
To understand the formation mechanism of magnetic moments at the edges of graphitic fragments, we carry out first-principles density-functional calculations for the electronic and magnetic structures of graphitic fragments with various spin and geometric configurations. We find that interedge and interlayer interactions between the localized moments can be explained in terms of interactions between the magnetic tails of the edge-localized states. In addition, the dihydrogenated edge states as well as Fe ad-atoms at the edge are studied in regard to the magnetic order and proximity effects.
Publisher
AMER PHYSICAL SOC
ISSN
2469-9950
Keyword
ELECTRON-GASFERROMAGNETISMCARBONACCURATERIBBONSENERGY

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