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Title: Stress state of embedded Si nanocrystals
Authors: Kleovoulou, Konstantinos 
Kelires, Pantelis C. 
Keywords: Silicon nanocrystals;Elastic properties;Systems;Alloys;Origin
Category: Physical Sciences
Field: Natural Sciences
Issue Date: 21-Aug-2013
Publisher: American Physical Society
Source: Physical Review B - Condensed Matter and Materials Physics, 2013, Volume 88, Issue 8, Article number 085424
metadata.dc.doi: 10.1103/PhysRevB.88.085424
Abstract: Monte Carlo simulations shed light on the stress state of Si nanocrystals embedded in amorphous silica, unraveling and explaining its nature and origins. This is achieved by generating detailed stress maps and by calculating the stress profile as a function of size and distance between the nanocrystals. For normal oxide matrix densities, the average stress in the nanocrystal core is found to be compressive, reaching values of 3-4 GPa, in excellent agreement with experimental measurements. It drastically declines at the interface, despite the existence of several highly strained geometries. Tensile conditions prevail in nanocrystals embedded in densified silica matrices. The nanocomposites are shown to be stable, at close interdot distances, against segregation and phase separation.
ISSN: 10980121
Rights: © 2013 American Physical Society.
Type: Article
Appears in Collections:Άρθρα/Articles

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