ARE FULLERENE TUBULES METALLIC

被引:1952
作者
MINTMIRE, JW
DUNLAP, BI
WHITE, CT
机构
[1] Naval Research Laboratory, Washington
关键词
D O I
10.1103/PhysRevLett.68.631
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We have calculated the electronic structure of a fullerene tubule using a first-principles, self-consistent, all-electron Gaussian-orbital based local-density-functional approach. Extending these results to a model containing an electron-lattice interaction, we estimate that the mean-field transition temperature from a Peierls-distorted regime to a high-temperature metallic regime should be well below room temperature. Such fullerene tubules should have the advantages (compared to other conjugated carbon systems) of a carrier density similar to that of metals and zero band gap at room temperature.
引用
收藏
页码:631 / 634
页数:4
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