Publications

BibTex format

@article{Chan:2006:B978-044451947-4/50024-4,
author = {Chan, JA and Montanari, B and Harrison, NM},
doi = {B978-044451947-4/50024-4},
pages = {523--540},
title = {Ferromagnetism in Defective Polymerised C<inf>60</inf>},
url = {http://dx.doi.org/10.1016/B978-044451947-4/50024-4},
year = {2006}
}

Download

RIS format (EndNote, RefMan)

TY - JOUR
AB - This chapter discusses ferromagnetism in defective polymerized C60. The cubic C60 fullerene samples that are synthesized in a specific temperature region near the stability limit of the fullerene cages exhibit, when quenched to room temperature, ferromagnetism with Curie temperatures above ∼500 K. Several experimental studies have also shown that the presence of nonmetallic impurities has some effect on the magnetic behavior of carbon-based materials. It is found that to generate realistic defect structures, reactive force-field simulations under high pressure conditions are used to produce a number of different defective structures. It is observed that for the calculations with finite temperature, reactive force field molecular dynamics (MD) simulations are performed within the NVT ensemble with a time step of 0.1 fs and run until equilibrium was reached. The spin-density map of the ground state shows that the spin density localizes at the dangling bonds. This configuration has a total magnetic moment of 2.0 μB per C60 cage. It is found that the electronic band structures of these defective layers are all spin-polarized, with flat bands at the Fermi edge and insulating band gaps. © 2006 Elsevier B.V. All rights reserved.
AU - Chan,JA
AU - Montanari,B
AU - Harrison,NM
DO - B978-044451947-4/50024-4
EP - 540
PY - 2006///
SP - 523
TI - Ferromagnetism in Defective Polymerised C<inf>60</inf>
UR - http://dx.doi.org/10.1016/B978-044451947-4/50024-4
ER -

Download

Nicholas M Harrison

Contact

Location

Summary

Citation

BibTex format

RIS format (EndNote, RefMan)