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

Abstract

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.

Authors:
 [1];  [1];  [1]
+ Show Author Affiliations
  1. Univ. of Texas, Austin, TX (United States)
Publication Date:
Research Org.:
Univ. of Texas, Austin, TX (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
OSTI Identifier:
1535858
Alternate Identifier(s):
OSTI ID: 1342445
Grant/Contract Number:  
FG02-06ER46286; SC0008877
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B
Additional Journal Information:
Journal Volume: 95; Journal Issue: 8; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; materials science; physics; electronic structure; density functional theory; noncontact atomic force microscopy; pseudopotentials; scanning probe microscopy

Citation Formats

Lee, Alex J., Sakai, Yuki, and Chelikowsky, James R. Simulating contrast inversion in atomic force microscopy imaging with real-space pseudopotentials. United States: N. p., 2017. Web. doi:10.1103/physrevb.95.081401.
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Lee, Alex J., Sakai, Yuki, & Chelikowsky, James R. Simulating contrast inversion in atomic force microscopy imaging with real-space pseudopotentials. United States. https://doi.org/10.1103/physrevb.95.081401
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Lee, Alex J., Sakai, Yuki, and Chelikowsky, James R. Wed . "Simulating contrast inversion in atomic force microscopy imaging with real-space pseudopotentials". United States. https://doi.org/10.1103/physrevb.95.081401. https://www.osti.gov/servlets/purl/1535858.
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@article{osti_1535858,
title = {Simulating contrast inversion in atomic force microscopy imaging with real-space pseudopotentials},
author = {Lee, Alex J. and Sakai, Yuki and Chelikowsky, James R.},
abstractNote = {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.},
doi = {10.1103/physrevb.95.081401},
journal = {Physical Review. B},
number = 8,
volume = 95,
place = {United States},
year = {Wed Feb 01 00:00:00 EST 2017},
month = {Wed Feb 01 00:00:00 EST 2017}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/physrevb.95.081401
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Works referenced in this record:

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    Simulating noncontact atomic force microscopy images
    journal, November 2019

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