ELECTRONIC STRUCTURE AND STM IMAGE OFC60–C70ADSORBED ON THE Cu(111) SURFACE

Yutaka Maruyama, Kaoru Ohno and Yoshiyuki Kawazoe
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Yutaka Maruyama: Institute for Materials Research, Tohoku University, Sendai 980–77, Japan
Kaoru Ohno: Institute for Materials Research, Tohoku University, Sendai 980–77, Japan
Yoshiyuki Kawazoe: Institute for Materials Research, Tohoku University, Sendai 980–77, Japan

Surface Review and Letters (SRL), 1996, vol. 03, issue 01, 923-926

Abstract: A recent scanning tunneling microscopy (STM) experiment has revealed thatC60–C70mixture on theCu(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.

Date: 1996
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DOI: 10.1142/S0218625X96001650

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