4.6 Article

Anisotropy in stability and Young's modulus of hydrogenated silicon nanowires

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CHEMICAL PHYSICS LETTERS
卷 452, 期 1-3, 页码 183-187

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DOI: 10.1016/j.cplett.2007.12.054

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To discern the anisotropy of silicon nanowires (SiNWs) grown in different directions, the binding energy, heat of formation, and Young's modulus of hydrogen-passivated SiNWs with various diameters and crystallographic orientations were calculated using all-electron density functional theory. In the size range studied, nanowires grown in the [110] direction are most stable while those in the [100] direction are energetically least favorable. Similar trend was observed in the computed Young's modulus. With the same radius, the nanowire along the [110] direction possesses the highest Young's modulus, while the [100] wire has the lowest value. (c) 2007 Elsevier B.V. All rights reserved.

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