First-Principles Calculations of Scanning-Tunnelling-Microscopy Images of Ar Atoms Adsorbed on a Graphite Sheet

白玉林; 周晓林; 陈向荣; 芶清泉

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First-Principles Calculations of Scanning-Tunnelling-Microscopy Images of Ar Atoms Adsorbed on a Graphite Sheet

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Local density approximation within the framework of the density functional theory is applied to calculate the scanning tunnelling microscopy(STM)images of Ar atoms adsorbed on a graphite sheet(Ar/graphite system).It is found that the optimal site of adsorbed Ar atom is at the top of the centre of the carbon hexagon and its equilibrium distance from the graphite surface is about 3.20A.We demonstrate that it is the hybridization of the C 2 p electronic states with the Ar 3 p and 4 s electronic states,which renders Ar atoms visible in the STM experiment.

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《中国物理快报：英文版》 |2003年第11期|2019-2022|共4页
作者
白玉林; 周晓林; 陈向荣; 芶清泉;
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作者单位

Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065;

Department of Science and Technology of Electronic Information,Yibin University,Yibin 644000;

Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065;

Department of Physics,Sichuan Normal University,Chengdu 610066;

Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065;

Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065;

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First-Principles Calculations of Scanning-Tunnelling-Microscopy Images of Ar Atoms Adsorbed on a Graphite Sheet

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