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- W59589959 abstract "Great interest to silicon nanostructures is not only a tribute to the advanced silicon technology, but is also driven by the inherently rich behaviour. Nearly one-dimensional material arrangements in the form of elongated clusters or nanowires have to be explored for their stability, atomic makeup, electronic structure and electronic transport properties. An overview of our recent work is mostly focused on determining the lowest-energy structural ground state for pure silicon nanowires. One remarkable finding is that the balance of the surface and edge contributions leads to the unusual pentagonal shape internally polycrystalline but possessing the minimum energy for the thinnest wires (up to 5–6 nm in diameter). Another class of wires discussed here is derived from metal-endohedral silicon nanotubes, and their identity to the thinnest metal-silicide nanowires is demonstrated. We discuss how the energy decomposition into the contributions from the bulk, surface, and edges, with their different size-scaling behaviours, permits to propose an efficient way of the energy computations for arbitrarily thick wires, without the taxing computational load. A simple relationship between the cohesive energy and the stoichiometry of the wire is discussed and verified through direct first principles energy analysis." @default.
- W59589959 created "2016-06-24" @default.
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- W59589959 date "2008-01-01" @default.
- W59589959 modified "2023-09-23" @default.
- W59589959 title "QUASI-ONE-DIMENSIONAL SILICON NANOSTRUCTURES" @default.
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- W59589959 doi "https://doi.org/10.1016/b978-008044528-1.50009-9" @default.
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