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Title: Simulating contrast inversion in atomic force microscopy imaging with real-space pseudopotentials

Journal Article · · Physical Review. B
 [1];  [1];  [1]
  1. Univ. of Texas, Austin, TX (United States)
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Atomic force microscopy (AFM) measurements have reported contrast inversions for systems such as Cu2N and graphene that can hamper image interpretation and characterization. In this work, we apply a simulation method based on ab initio real-space pseudopotentials to gain an understanding of the tip-sample interactions that influence the inversion. We find that chemically reactive tips induce an attractive binding force that results in the contrast inversion. We find that the inversion is tip height dependent and not observed when using less reactive CO-functionalized tips.

Research Organization:
Univ. of Texas, Austin, TX (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
Grant/Contract Number:
FG02-06ER46286; SC0008877
OSTI ID:
1535858
Alternate ID(s):
OSTI ID: 1342445
Journal Information:
Physical Review. B, Vol. 95, Issue 8; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 9 works
Citation information provided by
Web of Science

References (24)

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Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging journal May 2016
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Origin of High-Resolution IETS-STM Images of Organic Molecules with Functionalized Tips journal November 2014
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First-Principles Atomic Force Microscopy Image Simulations with Density Embedding Theory journal April 2016
Mechanism of high-resolution STM/AFM imaging with functionalized tips journal August 2014
Mapping the force field of a hydrogen-bonded assembly journal May 2014
CO tip functionalization in subatomic resolution atomic force microscopy journal October 2015
CO Tip Functionalization Inverts Atomic Force Microscopy Contrast via Short-Range Electrostatic Forces journal April 2014
Intermolecular Contrast in Atomic Force Microscopy Images without Intermolecular Bonds journal October 2014
Tip-sample interaction effects in scanning-tunneling and atomic-force microscopy journal February 1990
Forces and Currents in Carbon Nanostructures: Are We Imaging Atoms? journal April 2011
Bond-Order Discrimination by Atomic Force Microscopy journal September 2012
High-Resolution Model for Noncontact Atomic Force Microscopy with a Flexible Molecule on the Tip Apex journal January 2015
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal October 2011
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Prospects for Resolving Chemical Structure by Atomic Force Microscopy: A First-Principles Study † journal November 2010
Repulsive interaction and contrast inversion in noncontact atomic force microscopy imaging of adsorbates journal May 2008

Cited By (1)

Simulating noncontact atomic force microscopy images journal November 2019

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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
materials science
physics
electronic structure
density functional theory
noncontact atomic force microscopy
pseudopotentials
scanning probe microscopy