Electronic structure of molecular icosahedra films

Jiandi Zhang, D. N. McIlroy, P. A. Dowben, Hong Zeng, G. Vidali, D. Heskett, M. Onellion

Research output: Contribution to journalArticle

32 Scopus citations

Abstract

Using angle-resolved photoemission and inverse photoemission, the electronic structure of films of the molecular icosahedron orthocarborane (C2B10H12) on Cu(100) has been studied. The measured gap between the highest occupied molecular orbitals and the lowest unoccupied molecular orbitals is in good agreement with modified neglect of differential overlap calculations. An unoccupied exopolyhedral state has been found and is ascribed to molecular orbital hybridization. This hybridization is consistent with the observed dispersion of the orthocarborane molecular orbitals. This molecular orbital dispersion indicates a surface Brillouin zone edge with an average radius of 0.7 AA-1, and suggests that the molecules adopt local close-packed ordering in the overlayers, with an intermolecular distance of 5.58 AA.

Original languageEnglish (US)
Article number008
Pages (from-to)7185-7194
Number of pages10
JournalJournal of Physics: Condensed Matter
Volume7
Issue number36
DOIs
StatePublished - Dec 1 1995
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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    Zhang, J., McIlroy, D. N., Dowben, P. A., Zeng, H., Vidali, G., Heskett, D., & Onellion, M. (1995). Electronic structure of molecular icosahedra films. Journal of Physics: Condensed Matter, 7(36), 7185-7194. [008]. https://doi.org/10.1088/0953-8984/7/36/008