Atomic Observation on Diamond (001) Surfaces with Near-Contact Atomic Force Microscopy

About Density-functional-theory calculations revealed that the formation of tilted Si–C bonds between scanning Si probes and diamond (001) surfaces, coupled with the reordering of surface C–C dimers, are critical factors for achieving atomic resolution.
The mechanism of high-resolution AFM imaging was elucidated by force spectroscopy combined with first-principles calculations.
This database provides the input files and the results of the DFT calculations by OpenMX.
URL https://isspns-gitlab.issp.u-tokyo.ac.jp/masahiro.fukuda/C001_dimer_chain_AFM
DOI 10.1021/acs.nanolett.4c05395
Authors Runnan Zhang , Yuuki Yasui , Masahiro Fukuda , Taisuke Ozaki , Masahiko Ogura , Toshiharu Makino , Daisuke Takeuchi , Yoshiaki Sugimoto
License CC BY 4.0
Category Electronic structure (solid state physics)
References Nano Letters 2025 25 (3), 1101-1107
Related software OpenMX
Contact
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masahiro.fukuda__at__issp.u-tokyo.ac.jp
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