Abstract
We have performed ab initio calculations for the NMR relaxation rate in doped fullerenes and find that the spin-dipolar relaxation mechanism dominates the orbital and Fermi-contact mechanisms. The reason is that the states at the Fermi level are ppπ-like so that the carbon orbitals have almost exclusively radial p character. With the values 7.2 and 8.1 states /(eV spin molecule) for the bare densities of states at the Fermi level for, respectively, and , plus the ab initio value 1.7 eV spin (C atom) for the effective Stoner exchange parameter, good agreement is obtained with the experimental relaxation rates.
- Received 10 February 1993
DOI:https://doi.org/10.1103/PhysRevB.47.12373
©1993 American Physical Society