Alignment defects in zigzag and armchair carbon nanotubules

被引：4

作者：

Heyd, R ^{[1
]}

Charlier, A ^{[1
]}

McRae, E ^{[1
]}

Charlier, MF ^{[1
]}

机构：

[1] LAB CHIM SOLIDE MINERALE,URA 158,F-54506 VANDOEUVRE NANCY,FRANCE

来源：

PHYSICAL REVIEW B | 1997年 / 56卷 / 15期

关键词：

D O I：

10.1103/PhysRevB.56.9958

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Forming a carbon cylinder by rolling a sheet of graphite causes alignment defects of orbitals with a consequent change of the total elastic energy. Using a Green's function technique and total-energy minimalization of the one-dimensional unit cell, we obtain analytic expressions for the deformation potential energy and the densities of states. The calculated elastic coupling constants allow us to evaluate the gaps which are in good agreement with experimental values.

引用

页码：9958 / 9963

页数：6

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