C 74 Computer Study of Glass-Like and Amorphous Silicon Nanoparticles [] / A. E. Galashev, V. A. Polukhin, I. A. Izmodenov, O. A. Galasheva // Поверхность. - 2006. - N 1. - С. 41-49: il., tabl. - Bibliogr.: p. 48-49 (26 ref.) . - ISSN 0207-3528 Рубрики: ФИЗИКА Кл.слова (ненормированные): GLASS-LIKE AND AMORPHOUS -- SILICON NANOPARTICLES -- VORONOI POLYHEDRA CONSTRUCTION Аннотация: Structural properties of vitreous and amorphous silicon nanoparticles containing 300, 400 and 500 atoms were investigated by the molecular dynamics method. The calculated nanoparticles radial distribution Functions and angular distributions of adjoining atoms were compared with the appropriate bulk Si-glass functions. The structure of the central part of silicon nanoparticles was investigatied in detail with the assistance of Voronoi polyhedra construction. The prevalence of five and six fold rings in Si-glasses nanoparticles and the domination of pentagons in amorphous silicon particles were revealed. The lengths of the Si-Si bonds and the number of bonds per atom were determined for nanoparticles under investigated conditions |