Extended SSH model approach to dopyballsC58B2 andC58N2 View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1995-09

AUTHORS

M. Liu, Z. D. Wang, Jinming Dong, D. Y. Xing

ABSTRACT

The 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... »

PAGES

433-437

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf01317226

DOI

http://dx.doi.org/10.1007/bf01317226

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1032743983


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