Atomic and electronic structures of carbon nanotubes on Si(001) stepped surfaces

被引：28

作者：

Berber, S ^{[1
]}

Oshiyama, A ^{[1
]}

机构：

[1] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 3058571, Japan

来源：

PHYSICAL REVIEW LETTERS | 2006年 / 96卷 / 10期

关键词：

D O I：

10.1103/PhysRevLett.96.105505

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We report first-principles total-energy calculations that provide energetics and electronic structures of adsorbed carbon nanotubes (CNTs) on stepped Si(001) surfaces. We find that adsorption energies strongly depend on the directions of CNTs, and that there are several metastable adsorption sites both on terraces and near step edges. We also find that the electronic structure of adsorbed metallic CNTs becomes semiconducting or remains metallic, depending on the adsorption site. Charge redistribution upon adsorption is prominent mainly at the CNT-surface interface.

引用

页数：4

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