The rotation dynamics of C60 molecules in organic superconductor K3C60 has been investigated from the viewpoint of intramolecular interaction.It is determined that the rotation of C60 at room temperature has been froz...The rotation dynamics of C60 molecules in organic superconductor K3C60 has been investigated from the viewpoint of intramolecular interaction.It is determined that the rotation of C60 at room temperature has been frozen up within a small region of rotation angle (0→50°),and pointed out that the reason for the freeze is the physical interaction rather than the geometrical hindrance.The computations of the interactions for alkali-doped compounds A3-xAxC60(x=1,2,3;A,A'= K,Rb,Cs) other than K3C60 have also been carried out.From the obtained results,it is seen that the superconducting transition temperatures Tc are strongly connected with the interactions in them,and this observation is consistent with the discovery of the correlation between Tc and lattice constants a展开更多
The synchrotron radiation angle-resolved photoemission data of K3C60 single crystal film are analyzed, aiming at the photoionization cross-sections of the LUMO, HOMO and HOMO-1 bands in low photon energy region （14.5...The synchrotron radiation angle-resolved photoemission data of K3C60 single crystal film are analyzed, aiming at the photoionization cross-sections of the LUMO, HOMO and HOMO-1 bands in low photon energy region （14.5--27.5 eV）. Many fine structures of the HOMO/HOMO-1 intensity ratios are observed, which support the general validity of a quantum chemistry model. However, the experimental data and the theoretical results have some disagreement in the energy positions and magnitudes of the fine structures, and the disagreement is more outstanding than the case of pure C60. So the photoemission data of K3C60 afford valuable experimental reference to further theoretical developments. The LUMO cross-section data, which cannot be discussed with the quantum chemistry description due to strong solid state effects, are also reported for further studies.展开更多
基金supported hy the National Natural Science Foundation of China
文摘The rotation dynamics of C60 molecules in organic superconductor K3C60 has been investigated from the viewpoint of intramolecular interaction.It is determined that the rotation of C60 at room temperature has been frozen up within a small region of rotation angle (0→50°),and pointed out that the reason for the freeze is the physical interaction rather than the geometrical hindrance.The computations of the interactions for alkali-doped compounds A3-xAxC60(x=1,2,3;A,A'= K,Rb,Cs) other than K3C60 have also been carried out.From the obtained results,it is seen that the superconducting transition temperatures Tc are strongly connected with the interactions in them,and this observation is consistent with the discovery of the correlation between Tc and lattice constants a
基金Supported by National Natural Science Foundation of China (10674115)Beijing Synchrotron Radiation Facility
文摘The synchrotron radiation angle-resolved photoemission data of K3C60 single crystal film are analyzed, aiming at the photoionization cross-sections of the LUMO, HOMO and HOMO-1 bands in low photon energy region （14.5--27.5 eV）. Many fine structures of the HOMO/HOMO-1 intensity ratios are observed, which support the general validity of a quantum chemistry model. However, the experimental data and the theoretical results have some disagreement in the energy positions and magnitudes of the fine structures, and the disagreement is more outstanding than the case of pure C60. So the photoemission data of K3C60 afford valuable experimental reference to further theoretical developments. The LUMO cross-section data, which cannot be discussed with the quantum chemistry description due to strong solid state effects, are also reported for further studies.
