Ontology type: schema:ScholarlyArticle
1995-09
AUTHORSM. Liu, Z. D. Wang, Jinming Dong, D. Y. Xing
ABSTRACTThe Su-Schrieffer-Heeger (SSH) model has been extended to study electronic properties of DopyballsC58B2 andC58N2. It is proposed that self-consistent solutions for electronic wave functions should satisfy some symmetry conditions even though the icosahedral symmetryC60 has lost by doping. The present numerical results are compared with those obtained from a selfconsistent-field molecular-orbital (SCF-MO) method, most of them being in good agreement with each other. However, for aC58B2 isomer in which twoB atoms are on opposite sides of the cage, our result for electronic energy levels differs quite from the SCF-MO result. We discuss this difference from a viewpoint of the symmetry requirement. More... »
PAGES433-437
http://scigraph.springernature.com/pub.10.1007/bf01317226
DOIhttp://dx.doi.org/10.1007/bf01317226
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