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

T.-L. Chan, C. Z. Wang, K. M. Ho, and James R. Chelikowsky
Phys. Rev. Lett. 102, 176101 – Published 1 May 2009; Erratum Phys. Rev. Lett. 102, 189905 (2009)

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)(7×7), TiO2(110)(1×1), Ag/Si(111)(3×3)R30°, and Ge/Si(105)(1×2) 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.

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  • Received 4 September 2008
  • Publisher error corrected 5 May 2009

DOI:https://doi.org/10.1103/PhysRevLett.102.176101

©2009 American Physical Society

Corrections

5 May 2009

Erratum

Authors & Affiliations

T.-L. Chan1,2, C. Z. Wang2, K. M. Ho2, and James R. Chelikowsky1

  • 1Center for Computational Materials, Institute for Computational Engineering and Sciences, University of Texas, Austin, Texas 78712, USA
  • 2Ames Laboratory–U.S. DOE, and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA

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Issue

Vol. 102, Iss. 17 — 1 May 2009

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