Understanding of the synthesis and structure of Si nanocrystals in an oxide matrix from first principles based atomistic modeling

Sangheon Lee, Decai Yu, Gyeong S. Hwang

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Kinetic Monte Carlo simulations were performed to examine mechanisms underlying the formation of Si nanoparticles in Si-rich SiO2. We have determined two important features of the embedded Si nanoparticle growth: "coalescence-like" and "pseudo Ostwald ripening". The former is mainly responsible for fast Si particle growth at the early stage of annealing where the particles are close to each other, while the latter becomes important when the density of particles is low such that they are separated by large distances. The pseudo ripening process takes place several orders of magnitude slower than the "coalescence-like" growth. The predominance of "coalescence-like" behavior in the growth of Si nanoparticles results in a big variation in the particle size in terms of the Si:O ratio. Overall the predicted growth behavior based on our Monte Carlo simulations agrees well with experiments.

Original languageEnglish
Title of host publicationGroup IV Semiconductor Nanostructures-2006
Pages301-306
Number of pages6
StatePublished - 2007
Event2006 MRS Fall Meeting - Boston, MA, United States
Duration: 27 Nov 20061 Dec 2006

Publication series

NameMaterials Research Society Symposium Proceedings
Volume958
ISSN (Print)0272-9172

Conference

Conference2006 MRS Fall Meeting
Country/TerritoryUnited States
CityBoston, MA
Period27/11/061/12/06

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