Efficient First-Principles Simulation of Noncontact Atomic Force Microscopy for Structural Analysis

TitleEfficient First-Principles Simulation of Noncontact Atomic Force Microscopy for Structural Analysis
Publication TypeJournal Article
Year of Publication2009
AuthorsChan TL, Wang CZ, Ho KM, Chelikowsky JR
Journal TitlePhysical Review Letters
Volume102
Pages176101
Date Published05/01
ISBN Number0031-9007
Accession NumberISI:000265948300036
Keywordsimage, resolution, si(111), tio2(110) surface, total-energy calculations
Abstract

We propose an efficient scheme to simulate noncontact atomic force microscopy images by using first-principles self-consistent potential from the sample as input without explicit modeling of the atomic force microscopy tip. Our method is applied to various types of semiconductor surfaces including Si(111)-(7 x 7), TiO2(110)-(1 x 1), Ag/Si(111)-(root 3 x root 3)R30 degrees, and Ge/Si(105)-(1 x 2) surfaces. We obtain good agreement with experimental results and previous theoretical studies, and our method can aid in identifying different structural models for surface reconstruction.

URL<Go to ISI>://000265948300036
DOI10.1103/Physrevlett.102.176101