TY - JOUR
T1 - Metallic single-walled silicon nanotubes
AU - Bai, Jaeil
AU - Zeng, X. C.
AU - Tanaka, Hideki
AU - Zeng, J. Y.
N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].
PY - 2004/3/2
Y1 - 2004/3/2
N2 - 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.
AB - 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.
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U2 - 10.1073/pnas.0308467101
DO - 10.1073/pnas.0308467101
M3 - RGC 21 - Publication in refereed journal
C2 - 14981266
SN - 0027-8424
VL - 101
SP - 2664
EP - 2668
JO - PNAS: Proceedings of the National Academy of Sciences of the United States of America
JF - PNAS: Proceedings of the National Academy of Sciences of the United States of America
IS - 9
ER -