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Magnetic ordering at the edges of graphitic fragments: Magnetic tail interactions between the edge-localized states
Author(s) -
Hosik Lee,
YoungWoo Son,
Noejung Park,
Seungwu Han,
Jaejun Yu
Publication year - 2005
Publication title -
physical review b
Language(s) - English
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.72.174431
Subject(s) - enhanced data rates for gsm evolution , condensed matter physics , magnetic moment , density functional theory , materials science , electronic structure , physics , computer science , quantum mechanics , telecommunications
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.open28621

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