Magnetic nanographite

被引:432
作者
Kusakabe, K [1 ]
Maruyama, M [1 ]
机构
[1] Niigata Univ, Grad Sch Sci & Technol, Niigata 9502181, Japan
关键词
D O I
10.1103/PhysRevB.67.092406
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Hydrogenated nanographite can display spontaneous magnetism. Recently, we proposed that hydrogenation of nanographite is able to induce finite magnetization. We have performed theoretical investigation of a graphene ribbon, in which each carbon is bonded to two hydrogen atoms at one edge and to a single hydrogen atom at another edge. Application of the local-spin-density approximation to the calculation of the electronic band structure of the ribbon shows the appearance of a spin-polarized flat band at the Fermi energy. Producing different numbers of monohydrogenated carbons and dihydrogenated carbons can create magnetic moments in nanographite.
引用
收藏
页码:924061 / 924064
页数:4
相关论文
共 32 条
[1]   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
[2]   Lattice distortion in nanographite ribbons [J].
Fujita, M ;
Igami, M ;
Nakada, K .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1997, 66 (07) :1864-1867
[3]   AB-INITIO CALCULATION OF THE STRUCTURAL AND ELECTRONIC-PROPERTIES OF CARBON AND BORON-NITRIDE USING ULTRASOFT PSEUDOPOTENTIALS [J].
FURTHMULLER, J ;
HAFNER, J ;
KRESSE, G .
PHYSICAL REVIEW B, 1994, 50 (21) :15606-15622
[4]   Mechanism of magnetism in stacked nanographite with open shell electrons [J].
Harigaya, K ;
Enoki, T .
CHEMICAL PHYSICS LETTERS, 2002, 351 (1-2) :128-134
[5]   New type of antiferromagnetic state in stacked nanographite [J].
Harigaya, K .
CHEMICAL PHYSICS LETTERS, 2001, 340 (1-2) :123-128
[6]   The mechanism of magnetism in stacked nanographite: theoretical study [J].
Harigaya, K .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2001, 13 (06) :1295-1302
[7]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[8]   HIGHER-ORDER PEIERLS DISTORTION OF ONE-DIMENSIONAL CARBON SKELETONS [J].
KERTESZ, M ;
HOFFMANN, R .
SOLID STATE COMMUNICATIONS, 1983, 47 (02) :97-102
[9]   GRAPHITIC POLYMER STRIPS WITH EDGE STATES [J].
KLEIN, DJ .
CHEMICAL PHYSICS LETTERS, 1994, 217 (03) :261-265
[10]   Graphitic edges and unpaired π-electron spins [J].
Klein, DJ ;
Bytautas, L .
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (26) :5196-5210