Electronic properties of silica nanowires

Details Electronic properties of silica nanowires Electronic properties of silica nanowires

2006-03-19

arxiv.org/abs/cond-mat/0603485v1

J. Phys.: Condens. Matter 18 (2006) 3829-3836.

Physics

Condensed Matter

Materials Science

Scientific paper

10.1088/0953-8984/18/15/025

Thin nanowires of silicon oxide were studied by pseudopotential density functional electronic structure calculations using the generalized gradient approximation. Infinite linear and zigzag Si-O chains were investigated. A wire composed of three-dimensional periodically repeated Si4O8 units was also optimized, but this structure was found to be of limited stability. The geometry, electronic structure, and Hirshfeld charges of these silicon oxide nanowires were computed. The results show that the Si-O chain is metallic, whereas the zigzag chain and the Si4O8 nanowire are insulators.

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