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- W2138012714 abstract "We simulate the amorphous–crystal interface in silicon using a combination of interatomic potential molecular-dynamics and tight- binding conjugate-gradient relaxation. The samples we create have high quality crystalline and amorphous portions. We develop some localized measures of order to characterize the interface, including a missing neighbor vector and the bond angle deviation. We find that the measures of order interpolate smoothly from a bulk crystal value to a bulk amorphous value across a 7 A thick interface region. The interface structures exhibit a number of interesting features. The crystal planes near the interface are nearly perfect, with a few dimer defects similar to the Si(100) 2×1 reconstruction. Interfaces produced with one constant temperature simulation method are rough, with several layers of atoms forming chains and (111) facets. A different simulation method produces more planar interfaces with only a few chains." @default.
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- W2138012714 date "1998-01-01" @default.
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- W2138012714 doi "https://doi.org/10.1023/a:1008603024571" @default.
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