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Title: Real-space pseudopotential calculations for simulating noncontact atomic force microscopy images

Journal Article · · Journal of Vacuum Science and Technology B
DOI:https://doi.org/10.1116/1.5029827· OSTI ID:1436205
 [1];  [2];  [3]
  1. Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712
  2. Center for Computational Materials, Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712
  3. Department of Physics, Department Chemical Engineering, Center for Computational Materials, Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712

Sponsoring Organization:
USDOE
Grant/Contract Number:
FG02-06ER46286
OSTI ID:
1436205
Journal Information:
Journal of Vacuum Science and Technology B, Journal Name: Journal of Vacuum Science and Technology B Vol. 36 Journal Issue: 4; ISSN 2166-2746
Publisher:
American Vacuum SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

References (32)

Direct Imaging of Covalent Bond Structure in Single-Molecule Chemical Reactions journal May 2013
A direct method to calculate tip–sample forces from frequency shifts in frequency-modulation atomic force microscopy journal January 2001
Higher-order finite-difference pseudopotential method: An application to diatomic molecules journal October 1994
The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy journal August 2009
The Electric Field of CO Tips and Its Relevance for Atomic Force Microscopy journal February 2016
Interpretation of the atomic scale contrast obtained on graphite and single-walled carbon nanotubes in the dynamic mode of atomic force microscopy journal February 2005
Contrast inversion in non-contact atomic force microscopy imaging of C 60 molecules journal June 2009
Local Electronic and Chemical Structure of Oligo-acetylene Derivatives Formed Through Radical Cyclizations at a Surface journal January 2014
The pseudopotential-density functional method applied to nanostructures journal March 2000
Self-consistent-field calculations using Chebyshev-filtered subspace iteration journal November 2006
CO tip functionalization in subatomic resolution atomic force microscopy journal October 2015
Tip-sample interaction effects in scanning-tunneling and atomic-force microscopy journal February 1990
Simulating contrast inversion in atomic force microscopy imaging with real-space pseudopotentials journal February 2017
Different tips for high-resolution atomic force microscopy and scanning tunneling microscopy of single molecules journal February 2013
Inhomogeneous Electron Gas journal November 1964
Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging journal May 2016
Parallel self-consistent-field calculations via Chebyshev-filtered subspace acceleration journal December 2006
PARSEC – the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures journal April 2006
Ground State of the Electron Gas by a Stochastic Method journal August 1980
Quantitative Atomic Resolution Force Imaging on Epitaxial Graphene with Reactive and Nonreactive AFM Probes journal October 2012
Self-interaction correction to density-functional approximations for many-electron systems journal May 1981
High resolution SPM imaging of organic molecules with functionalized tips journal July 2017
First-Principles Atomic Force Microscopy Image Simulations with Density Embedding Theory journal April 2016
CO Tip Functionalization Inverts Atomic Force Microscopy Contrast via Short-Range Electrostatic Forces journal April 2014
Exploring Molecules beyond CO as Tip Functionalizations in High-Resolution Noncontact Atomic Force Microscopy: A First Principles Approach journal November 2016
Real-Space Identification of Intermolecular Bonding with Atomic Force Microscopy journal September 2013
Bond-Order Discrimination by Atomic Force Microscopy journal September 2012
Direct quantitative measurement of the C═O⋅⋅⋅H–C bond by atomic force microscopy journal May 2017
Interpretation of “true atomic resolution” images of graphite (0001) in noncontact atomic force microscopy journal September 2000
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Prospects for Resolving Chemical Structure by Atomic Force Microscopy: A First-Principles Study journal November 2010
Efficient pseudopotentials for plane-wave calculations journal January 1991

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