Modelling spin qubits in carbon peapods
Abstract
We have calculated electron spin interactions in chains of Sc@C82 endohedral fullerenes in isolation and inserted into a semiconducting or metallic single-walled carbon nanotube to form a peapod. Using hybrid density functional theory (DFT), we find that the spin resides mainly on the fullerene cage, whether or not the fullerenes are in a nanotube. The spin interactions decay exponentially with fullerene separation, and the system can be described by a simple antiferromagnetic Heisenberg spin chain. A generalised Hubbard-Anderson model gives an exchange parameter J and a Coulomb parameter U in good agreement with the DFT values. Within the accuracy of the calculations, neither semiconducting nor metallic nanotubes affect the interactions between the fullerene electron spins.
Keywords
Cite
@article{arxiv.0710.3061,
title = {Modelling spin qubits in carbon peapods},
author = {Ling Ge and Barbara Montanari and John H. Jefferson and David G. Pettifor and Nicholas M. Harrison and G. Andrew D. Briggs},
journal= {arXiv preprint arXiv:0710.3061},
year = {2007}
}
Comments
4 pages, 4 figures, submitted to PRL