Magnetic ordering at the edges of graphitic fragments: Magnetic tail interactions between the edge-localized states

被引:461
作者
Lee, H
Son, YW
Park, N
Han, SW
Yu, JJ [1 ]
机构
[1] Seoul Natl Univ, Sch Phys, Seoul 151747, South Korea
[2] Seoul Natl Univ, Ctr Strongly Correlated Mat Res, Seoul 151747, South Korea
[3] Dankook Univ, Dept Appl Phys, Seoul 140714, South Korea
[4] Ewha Womans Univ, Dept Phys, Seoul 120750, South Korea
关键词
D O I
10.1103/PhysRevB.72.174431
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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.
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页数:8
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共 23 条
[1]   Ferromagnetism of a graphite nodule from the Canyon Diablo meteorite [J].
Coey, JMD ;
Venkatesan, M ;
Fitzgerald, CB ;
Douvalis, AP ;
Sanders, IS .
NATURE, 2002, 420 (6912) :156-159
[2]   Induced magnetic ordering by proton irradiation in graphite -: art. no. 227201 [J].
Esquinazi, P ;
Spemann, D ;
Höhne, R ;
Setzer, A ;
Han, KH ;
Butz, T .
PHYSICAL REVIEW LETTERS, 2003, 91 (22)
[3]  
Esquinazi P, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.024429
[4]   Peculiar localized state at zigzag graphite edge [J].
Fujita, M ;
Wakabayashi, K ;
Nakada, K ;
Kusakabe, K .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1996, 65 (07) :1920-1923
[5]   Lattice distortion in nanographite ribbons [J].
Fujita, M ;
Igami, M ;
Nakada, K .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1997, 66 (07) :1864-1867
[6]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[7]   GRAPHITIC POLYMER STRIPS WITH EDGE STATES [J].
KLEIN, DJ .
CHEMICAL PHYSICS LETTERS, 1994, 217 (03) :261-265
[8]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[9]   Magnetic nanographite [J].
Kusakabe, K ;
Maruyama, M .
PHYSICAL REVIEW B, 2003, 67 (09) :924061-924064
[10]   Ferromagnetism at the edges of the stacked graphitic fragments: an ab initio study [J].
Lee, H ;
Park, N ;
Son, YW ;
Han, SW ;
Yu, JJ .
CHEMICAL PHYSICS LETTERS, 2004, 398 (1-3) :207-211