Structure and lattice dynamics of K1C60 in the orthorhombic phase: a neutron scattering study
作者： H.M Guerrero , R.L Cappelletti , D.A Neumann , Taner Yildirim
DOI: 10.1016/S0009-2614(98)01147-6
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摘要: Abstract Rietveld refinement of neutron diffraction from a powder sample K1C60 in the orthorhombic phase using model having polymeric linking by [2+2] cycloaddition C60 molecules yields physically reasonable bond lengths 1.44 to 1.54 A between C atoms vicinity link. Neutron time-of-flight inelastic scattering measurements display band vibrations consistent with 10 and 25 meV not present pure or fcc K1C60. Diffuse is accounted for terms rotationally disordered minority phases unlinked boundary regions polymer grains.
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sci-hub.se 参考文章(27)
R. A. Young, The Rietveld method Crystal Research and Technology. ,vol. 30, ,(1993)
Gary B. Adams, John B. Page, Otto F. Sankey, Michael O’Keeffe, Polymerized C60 studied by first-principles molecular dynamics. Physical Review B. ,vol. 50, pp. 17471- 17479 ,(1994) , 10.1103/PHYSREVB.50.17471
E.J. Mele, G.V. Krishna, S.C. Erwin, Three-dimensional electronic instabilities in polymerized solid A C 60 Physical Review B. ,vol. 51, pp. 7345- 7348 ,(1995) , 10.1103/PHYSREVB.51.7345
Q. Zhu, O. Zhou, J. E. Fischer, A. R. McGhie, W. J. Romanow, R. M. Strongin, M. A. Cichy, A. B. Smith III, Unusual thermal stability of a site-ordered MC60 rocksalt structure (M=K, Rb, or Cs). Physical Review B. ,vol. 47, pp. 13948- 13951 ,(1993) , 10.1103/PHYSREVB.47.13948
O. Chauvet, G. Oszlànyi, L. Forro, P. W. Stephens, M. Tegze, G. Faigel, A. Jànossy, Quasi-one-dimensional electronic structure in orthorhombic RbC60. Physical Review Letters. ,vol. 72, pp. 2721- 2724 ,(1994) , 10.1103/PHYSREVLETT.72.2721
J.R.D. Copley, D.A. Neumann, R.L. Cappelletti, W.A. Kamitakahara, Neutron scattering studies of C60 and its compounds Journal of Physics and Chemistry of Solids. ,vol. 53, pp. 1353- 1371 ,(1992) , 10.1016/0022-3697(92)90232-3
J.R.D. Copley, T.J. Udovic, Neutron Time-of-Flight Spectroscopy. Journal of Research of the National Institute of Standards and Technology. ,vol. 98, pp. 71- 87 ,(1993) , 10.6028/JRES.098.006
D. A. Neumann, J. R. D. Copley, W. A. Kamitakahara, J. J. Rush, R. L. Cappelletti, N. Coustel, J. E. Fischer, J. P. McCauley, A. B. Smith, K. M. Creegan, D. M. Cox, Rotational dynamics and orientational melting of C60 : a neutron scattering study Journal of Chemical Physics. ,vol. 96, pp. 8631- 8633 ,(1992) , 10.1063/1.462876
Jenő Kürti, Károly Németh, Structure and energetics of neutral and negatively charged C60 dimers Chemical Physics Letters. ,vol. 256, pp. 119- 125 ,(1996) , 10.1016/0009-2614(96)00439-3
K. -F. Thier, G. Zimmer, M. Mehring, F. Rachdi, NMR investigation of the electronic structure of the RbC60 polymer phase. Physical Review B. ,vol. 53, ,(1996) , 10.1103/PHYSREVB.53.R496