Xikun Hu, Wenlin Liu, et al.
IEEE J-STARS
We discuss the results of ab initio calculations of metallofullerenes carried out within density-functional-theory schemes. The systems considered in detail are endohedral and exohedral complexes of lanthanum and lithium with C60, and La@C82. Structural, electronic, and vibrational properties are determined and compared with experiment whenever possible. In the C60 case, clear characteristic and measurable features are found that distinguish between exoand endo-complexes. Also in C82, fingerprints of the presence of the guest atom, its position, and charge state are identified in measurable spectra, as well as of the structure of the cage. © Springer-Verlag 1998.
Xikun Hu, Wenlin Liu, et al.
IEEE J-STARS
S.F. Fan, W.B. Yun, et al.
Proceedings of SPIE 1989
O.F. Schirmer, W. Berlinger, et al.
Solid State Communications
Arvind Kumar, Jeffrey J. Welser, et al.
MRS Spring 2000