Efficient First-Principles Simulation of Noncontact Atomic Force Microscopy for Structural Analysis
| Title | Efficient First-Principles Simulation of Noncontact Atomic Force Microscopy for Structural Analysis |
| Publication Type | Journal Article |
| Year of Publication | 2009 |
| Authors | Chan TL, Wang CZ, Ho KM, Chelikowsky JR |
| Journal Title | Physical Review Letters |
| Volume | 102 |
| Pages | 176101 |
| Date Published | 05/01 |
| ISBN Number | 0031-9007 |
| Accession Number | ISI:000265948300036 |
| Keywords | image, 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 |
| DOI | 10.1103/Physrevlett.102.176101 |
