Metallic Single-Walled Silicon Nanotubes

Atomistic computer-simulation evidences are presented for the possible existence of one-dimensional silicon nanostructures: the square, pentagonal, and hexagonal single-walled silicon nanotubes (SWSNTs). The local geometric structure of the SWSNTs differs from the local tetrahedral structure of cubi...

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Bibliographic Details
Published in:Proceedings of the National Academy of Sciences - PNAS 2004-03, Vol.101 (9), p.2664-2668
Main Authors: Bai, Jaeil, Zeng, X. C., Tanaka, Hideki, Zeng, J. Y., Reiss, Howard
Format: Article
Language:English
Subjects:
Atoms
Atoms & subatomic particles
Chemistry
Computer simulation
Coordination numbers
Cubic crystals
Electrons
Metals
Nanostructured materials
Nanostructures
Nanotubes
Nanowires
Physical Sciences
Semiconductors
Silicon
Squares
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Summary:Atomistic computer-simulation evidences are presented for the possible existence of one-dimensional silicon nanostructures: the square, pentagonal, and hexagonal single-walled silicon nanotubes (SWSNTs). The local geometric structure of the SWSNTs differs from the local tetrahedral structure of cubic diamond silicon, although the coordination number of atoms of the SWSNTs is still fourfold. Ab initio calculations show that the SWSNTs are locally stable in vacuum and have zero band gap, suggesting that the SWSNTs are possibly metals rather than wide-gap semiconductors.
ISSN:0027-8424
1091-6490
DOI:10.1073/pnas.0308467101