Electronic structure and magnetic properties of graphitic ribbons

被引:594
作者
Pisani, L.
Chan, J. A.
Montanari, B.
Harrison, N. M.
机构
[1] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England
[2] CCLRC, Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England
[3] CCLRC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England
来源
PHYSICAL REVIEW B | 2007年 / 75卷 / 06期
关键词
D O I
10.1103/PhysRevB.75.064418
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
First-principles calculations are used to establish that the electronic structure of graphene ribbons with zigzag edges is unstable with respect to magnetic polarization of the edge states. The magnetic interaction between edge states is found to be remarkably long ranged and intimately connected to the electronic structure of the ribbon. Various treatments of electronic exchange and correlation are used to examine the sensitivity of this result to details of the electron-electron interactions, and the qualitative features are found to be independent of the details of the approximation. The possibility of other stablization mechanisms, such as charge ordering and a Peierls distortion, are explicitly considered and found to be unfavorable for ribbons of reasonable width. These results have direct implications for the control of the spin-dependent conductance in graphitic nanoribbons using suitably modulated magnetic fields.
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页数:9
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共 53 条
[1]   Origin of magnetic moments in carbon nanofoam [J].
Arcon, D. ;
Jaglicic, Z. ;
Zorko, A. ;
Rode, A. V. ;
Christy, A. G. ;
Madsen, N. R. ;
Gamaly, E. G. ;
Luther-Davies, B. .
PHYSICAL REVIEW B, 2006, 74 (01)
[2]  
BARZOLAQUIQUIA J, CONDMAT0610293
[3]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[4]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[5]   Effect of exchange and correlation on bulk properties of MgO, NiO, and CoO [J].
Bredow, T ;
Gerson, AR .
PHYSICAL REVIEW B, 2000, 61 (08) :5194-5201
[6]   The role of nuclear nanoprobes in inducing magnetic ordering in graphite [J].
Butz, T ;
Spemann, D ;
Han, KH ;
Höhne, R ;
Setzer, A ;
Esquinazi, P .
HYPERFINE INTERACTIONS, 2005, 160 (1-4) :27-37
[7]   Hybrid density functional study of organic magnetic crystals:: bi-metallic CrIII cyanides and rhombohedral C60 [J].
Chan, JA ;
Montanari, B ;
Chan, WL ;
Harrison, NM .
MOLECULAR PHYSICS, 2005, 103 (18) :2573-2585
[8]   Magnetic properties of polymerized C60:: The influence of defects and hydrogen -: art. no. 041403 [J].
Chan, JA ;
Montanari, B ;
Gale, JD ;
Bennington, SM ;
Taylor, JW ;
Harrison, NM .
PHYSICAL REVIEW B, 2004, 70 (04) :041403-1
[9]  
CHAN JA, 2006, CARBON BASED MAGNETI, P523
[10]   d0 ferromagnetism [J].
Coey, JMD .
SOLID STATE SCIENCES, 2005, 7 (06) :660-667