From compact point defects to extended structures in silicon

Y. A. Du (), R. G. Hennig, T. J. Lenosky and J. W. Wilkins

The European Physical Journal B: Condensed Matter and Complex Systems, 2007, vol. 57, issue 3, 229-234

Abstract: First-principles studies of the formation and dynamics of silicon interstitial-clusters suggest a possible growth mechanism of silicon interstitial-chains as seen in macroscopic 311 planar defects. The relative populations of the three lowest-energy silicon tri-interstitials equilibrate within a few microseconds. Unfortunately, the tri-interstitial chain is unstable, quickly decaying to the ground-state interstitial. However, the four-interstitial chain with escape barriers of 0.54 eV is relatively stable and can be formed by exothermic capture of an interstitial by the ground-state tri-interstitial. This first successful step seems capable of growing longer chains. If one chain eases the formation of a second parallel chain, this may start the process of forming 311 planar defects. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Keywords: 61.72.Cc Kinetics of defect formation and annealing; 61.72.Ji Point defects (vacancies; interstitials) and defect clusters; 71.15.Mb Density functional theory; local density approximation; gradient and other corrections; 71.15.Pd Molecular dynamics calculations (search for similar items in EconPapers)
Date: 2007
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://hdl.handle.net/10.1140/epjb/e2007-00176-5 (text/html)
Access to full text is restricted to subscribers.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:57:y:2007:i:3:p:229-234

Ordering information: This journal article can be ordered from
http://www.springer.com/economics/journal/10051

DOI: 10.1140/epjb/e2007-00176-5

Access Statistics for this article

The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio

More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().