Naslov
Electronic properties of silica nanowires

Autori
Bilalbegović, Goranka

Izvornik
Journal of physics. Condensed matter (0953-8984) 18 (2006); 3829-3836

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
electronic structure calculations; density functional theory; nanowires; nanotechnology

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA