Vp. Antropov et al., DOMINANCE OF THE SPIN-DIPOLAR NMR RELAXATION MECHANISM IN FULLERENE SUPERCONDUCTORS, Physical review. B, Condensed matter, 47(18), 1993, pp. 12373-12376
We have performed ab initio calculations for the NMR relaxation rate i
n doped fullerenes an that the spin-dipolar relaxation mechanism domin
ates the orbital and Fermi-contact mechanisms. The reason is that the
states at the Fermi level are pppi-like so that the carbon orbitals ha
ve 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 Fer
mi level for, respectively, K3C60 and Rb3C60, 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.