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

作     者：Yunqing Chen Kevin S. Schneider Mark M. Banaszak Holl B. G. Orr 

作者机构：Physics Department Harrison M. Randall Laboratory The University of Michigan Ann Arbor Michigan 48109-1120 USA Chemistry Department The University of Michigan Ann Arbor Michigan 48109-1055 USA Applied Physics Program Harrison M. Randall Laboratory The University of Michigan Ann Arbor Michigan 48109-1120 USA 

出 版 物：《Physical Review B》 (Phys. Rev. B Condens. Matter Mater. Phys.)

年 卷 期：2004年第70卷第8期

页      面：085402-085402页

核心收录：

基　　金：National Science Foundation  NSF  (DMR-0093641  DMR-9802586) 

摘      要：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 H8Si8O12 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.