Electronic structure and STM image of C60-C70 adsorbed on the Cu(111) surface

Yutaka Maruyama, Kaoru Ohno, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review


A recent scanning tunneling microscopy (STM) experiment has revealed that C60-C70 mixture on the Cu(111)-(1 × 1) substrate shows specific bias-voltage-dependent images which reflect intramolecular structure. In order to understand this observation, we perform a band-structure calculation. In this study, we adopt a simple model assuming a two-dimensional (2D) molecular crystal and a proper adsorption geometry. By comparing the calculated charge distributions of the lowest unoccupied molecular orbital (LUMO)-induced bands and the highest occupied molecular orbital (HOMO)-induced bands with the observed STM images, we find that the shapes of the intramolecular structures which change with the bias voltage strongly reflect the positions of pentagonal and hexagonal rings.

Original languageEnglish
Pages (from-to)923-926
Number of pages4
JournalSurface Review and Letters
Issue number1
Publication statusPublished - 1996 Jan 1

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry


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