Analysis of13 C − N M R spectra inAuthor(s) -
Nobuya Sato,
Hideki Tou,
Yutaka Maniwa,
Kôichi Kikuchi,
Satoru Suzuki,
Y. Achiba,
Mayumi Kosaka,
Katsumi Tanigaki
Publication year - 1998
Publication title -
physical review. b, condensed matter
Language(s) - English
Resource type - Journals
eISSN - 1095-3795
pISSN - 0163-1829
DOI - 10.1103/physrevb.58.12433
Subject(s) - physics , antiferromagnetism , crystallography , knight shift , condensed matter physics , superconductivity , chemistry
A C-NMR anisotropic hyperfine coupling tensor was determined as 2p(21.68, 21.68, 3.37) 310 rad/sec for C60 32 in A3C60 superconductors, where A is an alkali metal, by analyzing C-NMR spectra below 85 K. Combined with an isotropic coupling constant of (2p30.69)310 rad/sec, the 2s and 2p characters of the electronic wave functions at the Fermi level were deduced. The results were compatible with local-density-approximation band calculations. From a simulation of C-NMR spectra at superconducting state, the traceless chemical ~orbital! shift tensor and isotropic chemical shift were determined as ~67, 34, 2101! ppm and ;150 ppm, respectively. An estimated magnetic penetration depth is larger than 570 nm in K3C60. Furthermore, the modified Korringa relation, T1TK ;bS ~with Knight shift K, spin-lattice relaxation time T1 , and Korringa constant S!, clearly showed the existence of weak but substantial antiferromagnetic spin fluctuation in A3C60; b50.40– 0.58 with an error of 620%. The Stoner enhancement factor was also determined as 1–1.5 from a comparison between spin susceptibility obtained from NMR and band-calculation results. @S0163-1829~98!00542-6#
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