Magnetic properties of C60 polymers -: art. no. 026801

被引:126
作者
Andriotis, AN
Menon, M
Sheetz, RM
Chernozatonskii, L
机构
[1] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece
[2] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA
[3] Univ Kentucky, Ctr Computat Sci, Lexington, KY 40506 USA
[4] Russian Acad Sci, Inst Biochem Phys, Moscow 117977, Russia
关键词
D O I
10.1103/PhysRevLett.90.026801
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Magnetic properties of various C-60 polymers are calculated using tight-binding molecular-dynamics and ab initio methods. Our results suggest a mechanism involving an interplay between structural defects and sp(3) hybridization to be responsible for the origin of this magnetism. The onset of magnetism is found to occur much more readily for the Rh-C-60 polymeric phase with defects than for any of the other polymers, in agreement with the recent experiment. Our estimate of the magnetic moment is also in very good agreement with the value observed in experiment.
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页数:4
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