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Simulation of Realistic Core-shell Silicon Nanowires

Author(s):
Rana Biswas, Bicai Pan

We have developed an efficient scheme for simulating silicon nanowires with crystalline cores and amorphous sheaths, using molecular dynamics. By starting with a crystalline nanowire and performing high temperature anneal an amorphous outer sheath can be grown with controlled thickness on the nanowire. Simulations for [001] nanowires with diameters of 12 nm find low energy facets between the amorphous and crystalline layers. Simulations for [110] nanowires find weak faceting and an inhomogeneous amorphous-crystalline boundary.

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Track ID:
Paper #: 0910-A01-04
DOI: