Nano Archive

Magic structures of H-passivated 110 silicon nanowires

Chan, T. L. and Ciobanu, C. V. and Chuang, F. C. and Lu, N and Wang, C. Z. and Ho, K. M. (2006) Magic structures of H-passivated 110 silicon nanowires. NANO LETTERS, 6 (2). pp. 277-281.

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We report a genetic algorithm approach combined with ab initio calculations to determine the structure of hydrogenated < 110 > Si nanowires. As the number of atoms per length increases, we find that the cross section of the nanowire evolves from chains of six-atom rings to fused pairs of such chains to hexagons bounded by {001} and {111} facets. Our calculations predict that hexagonal wires become stable starting at about 1.2 nm diameter, which is consistent with recent experimental reports of nanowires with diameters of about 3 nm.

Item Type:Article
Subjects:Material Science > Nanostructured materials
ID Code:3825
Deposited By:SPI
Deposited On:26 Jan 2009 14:47
Last Modified:19 Feb 2009 09:07

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