Dominance of the spin-dipolar NMR relaxation mechanism in fullerene superconductors

V. P. Antropov; I. I. Mazin; O. K. Andersen; A. I. Liechtenstein; O. Jepsen

doi:10.1103/PhysRevB.47.12373

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Dominance of the spin-dipolar NMR relaxation mechanism in fullerene superconductors

V. P. Antropov, I. I. Mazin, O. K. Andersen, A. I. Liechtenstein, O. Jepsen

DOI 10.1103/PhysRevB.47.12373 · Physical Review B

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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, 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.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
K3C60 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
Rb3C60 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown