Simulated scanning tunneling microscopy images of three-dimensional clusters: H8Si8O12 on Si(100)-2×1

Yunqing Chen, Kevin S. Schneider, Mark M. Banaszak Holl, B. G. Orr

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A scanning tunneling microscopy (STM) simulation based on the Bardeen perturbation method is used to generate simulated images of two possible chemisorption modes, monovertex and cracked cluster, for H8Si 8O12 on Si(100)-2×1. The tip and sample are represented by cluster models, and electronic structure calculations are performed using density-functional theory. Simulated STM images are compared to experimental STM data acquired at nominally identical tunneling conditions. The simulated STM images elucidate the preferred monovertex attachment model, in addition to providing an understanding of the cluster features and apparent vertical and lateral dimensions observed in the experimental STM data.

Original languageEnglish
JournalPhysical Review B
Issue number8
Publication statusPublished - 1 Aug 2004
Externally publishedYes

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