Crystals of covalently bonded carbon nanotubes: Energetics and electronic structures

被引：21

作者：

Chernozatonskii, L ^{[1
]}

Richter, E

Menon, M

机构：

[1] Russian Acad Sci, Inst Biochem Phys, Moscow 117977, Russia

[2] DaimlerChrysler AG FT3SA, D-89081 Ulm, Germany

[3] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA

[4] Univ Kentucky, Ctr Computat Sci, Lexington, KY 40506 USA

来源：

PHYSICAL REVIEW B | 2002年 / 65卷 / 24期

关键词：

D O I：

10.1103/PhysRevB.65.241404

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Structure and stability of hexagonally polymerized carbon nanotube solids are investigated using a generalized tight-binding molecular-dynamics scheme. The stable structures show internanotube connectivity via the 2+2 and 2+4 cycloaddition process. Calculated electronic density of states indicates that the studied materials have semiconducting or insulating properties depending on the type of internanotube connectivity in a system containing atoms with sp(2) and sp(3) bondings. We also predict the existence of a nanotube clathrate form.

引用

页码：1 / 4

页数：4

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