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Chin. Phys. B, 2022, Vol. 31(8): 088202    DOI: 10.1088/1674-1056/ac6eec
INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY Prev   Next  

Adaptive semi-empirical model for non-contact atomic force microscopy

Xi Chen(陈曦)1,†, Jun-Kai Tong(童君开)1,2,†, and Zhi-Xin Hu(胡智鑫)1,‡
1 Center for Joint Quantum Studies and Department of Physics, Institute of Science, Tianjin University, Tianjin 300350, China;
2 State Key Laboratory of Precision Measuring Technology and Instruments, Tianjin University, Tianjin 300072, China
Abstract  Non-contact atomic force microscope is a powerful tool to investigate the surface topography with atomic resolution. Here we propose a new approach to estimate the interaction between its tips and samples, which combines a semi-empirical model with density functional theory (DFT) calculations. The generated frequency shift images are consistent with the experiment for mapping organic molecules using CuCO, Cu, CuCl, and CuOx tips. This approach achieves accuracy close to DFT calculation with much lower computational cost.
Keywords:  semi-empirical model      atomic force microscopy      density functional theory      functionalized tips  
Received:  07 April 2022      Revised:  09 May 2022      Accepted manuscript online:  12 May 2022
PACS:  82.20.Wt (Computational modeling; simulation)  
  68.37.Ps (Atomic force microscopy (AFM))  
  68.43.Fg (Adsorbate structure (binding sites, geometry))  
  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
Fund: Project supported by the National Nature Science Foundation of China (Grant No. 11804247). VASP Calculations were performed at the High-Performance Computing Platform from Center for Joint Quantum Studies of Tianjin University.
Corresponding Authors:  Zhi-Xin Hu     E-mail:  zhixin.hu@tju.edu.cn

Cite this article: 

Xi Chen(陈曦), Jun-Kai Tong(童君开), and Zhi-Xin Hu(胡智鑫) Adaptive semi-empirical model for non-contact atomic force microscopy 2022 Chin. Phys. B 31 088202

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