Magnetic properties of C60 polymers.
Magnetic properties of various C60 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-C60 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.
Andriotis
Antonis N
AN
Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas, P.O. Box 1527, 71110 Heraklio, Crete, Greece. andriot@iesl.forth.gr
Menon
Madhu
M
Sheetz
R Michael
RM
Chernozatonskii
Leonid
L