First-principles study of work functions of double-wall carbon nanotubes

被引:81
作者
Shan, B [1 ]
Cho, K
机构
[1] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA
[2] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA
关键词
D O I
10.1103/PhysRevB.73.081401
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Using first-principles density functional calculations, we investigated work functions (WFs) of thin double-walled nanotubes (DWNTs) with outertube diameters ranging from 1 to 1.5 nm. The results indicate that a work function change within this diameter range can be up to 0.5 eV, even for DWNTs with the same outer diameter. This is in contrast with single-walled nanotubes, which show negligible WF changes for diameters larger than 1 nm. We explain the WF change and the related charge redistribution in DWNTs using the charge equilibration model. The predicted work function variation of DWNTs indicates a potential difficulty in their nanoelectronic device applications.
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页数:4
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