Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
114 (2001), S. 6068-6071
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We carry out a first-principles and comparative study of structural and electronic properties of the two most stable—and equally stable—isomers of fullerene C36. We find that the remarkable equivalence exhibited by the two isomers in what concerns their stability extends to many other electronic properties. However, their different geometric structure is responsible for sizeable differences in their vibrational spectra; as well we find that the quantization of electronic states around the Fermi level leads to a different distribution of strength for the low-energy electronic excitations. These features may contribute to a rich and distinct interplay between electrons and phonons in the bulk phase. © 2001 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1355985
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