First-principles theory of the scanning tunneling microscopy simulation

1 January 1990

journal article
Published by American Vacuum Society in Journal of Vacuum Science & Technology A

Vol. 8 (1) , 160-165
https://doi.org/10.1116/1.577055

Abstract

Method of theoretical simulations for the scanning tunneling microscopy/spectroscopy (STM/STS) are presented based on the nonempirical electronic state calculations of the tip and the sample surface. For the tunnel active protrusion on the tip, cluster models are used. Some examples of the STM image and the STS spectrum are reported for graphite and benzene molecule by the use of tip clusters W4, W5, W8, W10. Theoretical STS curve explains well the experimental results, if the width of the cluster levels is assumed larger than 1 eV. Abnormal STM images of graphite is found to be caused by interference effect of the tunnel current contributed by different atoms.

Keywords

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