A nucleation thermodynamic model was developed to clarify the diameter-dependent crystallographic orientation of silicon nanowires (SiNWs) grown via the vapor-liquid-solid (VLS) mechanism with an Au catalyst. The calculated critical energies (E-r*) and corresponding critical radii (r*) of the SiNWs with < 111 > and < 110 > orientations as a function of Au-catalyst size (D-Au) revealed that the < 110 >-oriented SiNW with r* is preferred below D-Au = similar to 25 nm, but the preferred direction changes to < 111 > above D-Au = similar to 25 nm. The model indicated that the nucleated SiNW with a radius (r) above r* is stable and continues to grow until the diameter becomes equal to D Au but that the crystallographic orientation is maintained. Thus, the predicted growth direction of the final SiNW with a size of D Au is < 110 > for D-Au < similar to 25 nm and < 111 > for D-Au > similar to 25 nm, which is in excellent agreement with reported experimental results.
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Cai Y, 2006, ADV MATER, V18, P109, DOI 10.1002/adma.200500822
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Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R ChinaHong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China
Chan, SK
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Cai, Y
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Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R ChinaHong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China
Cai, Y
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Wang, N
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Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R ChinaHong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China
Wang, N
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Sou, IK
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Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R ChinaHong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China
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Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R ChinaHong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China
Chan, SK
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Cai, Y
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Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R ChinaHong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China
Cai, Y
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Wang, N
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Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R ChinaHong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China
Wang, N
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Sou, IK
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Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R ChinaHong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China