Sharp corners in the cross section of ultrathin Si nanowires |
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Authors: | Cao J X Gong X G Zhong J X Wu R Q |
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Institution: | Department of Physics and Astronomy, University of California, Irvine, California 92697, USA. |
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Abstract: | We have determined stable geometries for pristine Si nanowires grown along their 100 axis through systematic density functional studies. Strikingly, Si nanowires with diameters smaller than 1.7 nm prefer a shape that has a square cross section. This stems from dimerization between corner atoms and also from benign reconstruction patterns that maximally saturate Si dangling bonds. |
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