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Endohedral rare earth fullerenes...

posted by Zhongqi Jin E-mail, Michigan State University, 09.10.2013, 09:45

Full title:
Endohedral rare earth fullerenes-electronic and dynamic properties

K Vietze[1], G Seifert[2], M Richter[3], L Dunsch[4], M Krause[4]
[1] Max-Planck-Institut fr Physik komplexer Systeme
[2] Theoretische Physik, Universitt GH Paderborn
[3] Institut fr Theoretische Physik
[4] Institut fr Festkrper- und Werkstofforschung

Publication source:
AIP Conference Proceedings 486, 128 (1999)

DOI: 10.1063/1.59769

Publisher's link to the original article:

Link to the open access resource:

Owner of the open access resource:
research gate(owner granted link permission on: 1999)

Nomination text:
Studies of endohedral rare earth fullerenes indicate variations of the valence states of the rare earth atoms in these systems and the stabilization of certain fullerene cages. A semirelativistic Density Functional based Tight Binding formalism the valence states of rare earth metals in various fullerene cages as endohedral complexes were examined in comparison to experimental investigations. It seem to be mostly in a trivalent state. Molecular dynamics simulations indicate a rather high mobility of the rare earth atom(s) in certain endohedrals due to the relatively weak coupling to the cage.

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