Journal article
The effect of structural changes on ELNES for C60
Abstract
The unoccupied density of states is simulated for two different experimentally determined C60 crystal structures. Several theoretical crystal structures are constructed to allow the effects of bond length and relative molecular orientation to be studied. It is found that both have an effect on the unoccupied states, and that the larger effect is coming from the variation in bond length. It is suggested that the difference previously reported in …
Authors
Nicholls RJ; Nguyen-Manh D; Cockayne DJH; Lazar S
Journal
Chemical Physics Letters, Vol. 470, No. 1-3, pp. 116–118
Publisher
Elsevier
Publication Date
2 2009
DOI
10.1016/j.cplett.2009.01.026
ISSN
0009-2614