Simulation of realistic core-shell silicon nanowires

TitleSimulation of realistic core-shell silicon nanowires
Publication TypeBook Chapter
Year of Publication2007
AuthorsBiswas R, Pan B
EditorWagner S, Chu V, Atwater HA, Yamamoto K, Zan HW
Book TitleAmorphous and Polycrystalline Thin-Film Silicon Science and Technology 2006
CityWarrendale
PublisherMaterials Research Society
Volume910
Pages15-20
Series TitleMaterials Research Society Symposium Proceedings
ISBN Number0272-9172978-1-55899-866
Accession NumberISI:000245670700002
KeywordsNANOCRYSTALLINE SILICON, surfaces
Abstract

We have developed an efficient scheme for simulating silicon nanowires with crystalline cores and amorphous sheaths, using molecular dynamics. By starting with a crystalline nanowire and performing high temperature anneal an amorphous outer sheath can be grown with controlled thickness on the nanowire. Simulations for [001] nanowires with diameters of 12 nm find low energy facets between the amorphous and crystalline layers. Simulations for [110] nanowires find weak faceting and an inhomogeneous amorphous-crystalline boundary.