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- W2102616595 abstract "The orientation and size dependence on structural stability in Si nanowires (Si NWs) are investigated by using total-energy calculation based on a transferable-tight-binding (TB) model. The calculated nanowire (NW) cohesive energy for various shapes grown along 〈1 1 0〉, 〈1 1 2〉, and 〈1 1 1〉 directions with a diameter of ∼4 nm shows that the hexagonal shape is preferable over the rectangle shapes. Furthermore, the cohesive energy in the hexagonal shape for diameter less than 6 nm demonstrates that the NWs oriented along the 〈1 1 2〉 direction is stable, consistent with experimental observation of Si NWs fabricated by the oxide-assisted growth (OAG). The stability of reconstructed surface in Si NWS is found to be interpreted as the sequence of surface energy, γ{1 0 0}<γ{1 1 1}<γ{3 1 1}<γ{1 1 0}, qualitatively consistent with experiments. These results imply that our approach provide firm theoretical framework to clarify the structural trends in Si NWs." @default.
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- W2102616595 date "2007-04-01" @default.
- W2102616595 modified "2023-09-25" @default.
- W2102616595 title "Orientation and size dependence on structural stability in silicon nanowires: A transferable tight-binding calculation study" @default.
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- W2102616595 doi "https://doi.org/10.1016/j.jcrysgro.2006.11.180" @default.
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