First principles study of work functions of single wall carbon nanotubes.
作者： Bin Shan , Kyeongjae Cho
DOI: 10.1103/PHYSREVLETT.94.236602
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摘要: … known that LDAs utilized with the Kohn-Sham scheme [19] tends to underestimate the band gap, which in our case results in an over estimate of the work function for semiconducting …
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