• About
  • Policies
  • What is open access
  • Library
  • Contact
Advanced search
      View Item 
      •   BUIR Home
      • Scholarly Publications
      • Faculty of Science
      • Department of Physics
      • View Item
      •   BUIR Home
      • Scholarly Publications
      • Faculty of Science
      • Department of Physics
      • View Item
      JavaScript is disabled for your browser. Some features of this site may not work without it.

      Pathways of bond topology transitions at the interface of silicon nanocrystals and amorphous silica matrix

      Thumbnail
      View / Download
      475.7 Kb
      Author(s)
      Yilmaz, D. E.
      Bulutay, C.
      Çaǧin, T.
      Date
      2008
      Source Title
      Physical Review B - Condensed Matter and Materials Physics
      Print ISSN
      1098-0121
      Publisher
      The American Physical Society
      Volume
      77
      Issue
      15
      Language
      English
      Type
      Article
      Item Usage Stats
      143
      views
      128
      downloads
      Abstract
      The interface chemistry of silicon nanocrystals (NCs) embedded in an amorphous oxide matrix is studied through molecular dynamics simulations with the chemical environment described by the reactive force field model. Our results indicate that the Si NC-oxide interface is more involved than the previously proposed schemes, which were based on solely simple bridge or double bonds. We identify different types of three-coordinated oxygen complexes that are previously not noted. The abundance and the charge distribution of each oxygen complex is determined as a function of the NC size as well as the transitions among them. The oxidation at the surface of NC induces tensile strain to Si Si bonds, which become significant only around the interface, while the inner core remains unstrained. Unlike many earlier reports on the interface structure, we do not observe any double bonds. Furthermore, our simulations and analysis reveal that the interface bond topology evolves among different oxygen bridges through these three-coordinated oxygen complexes.
      Permalink
      http://hdl.handle.net/11693/23141
      Published Version (Please cite this version)
      http://dx.doi.org/10.1103/PhysRevB.77.155306
      Collections
      • Department of Physics 2397
      Show full item record

      Browse

      All of BUIRCommunities & CollectionsTitlesAuthorsAdvisorsBy Issue DateKeywordsTypeDepartmentsThis CollectionTitlesAuthorsAdvisorsBy Issue DateKeywordsTypeDepartments

      My Account

      LoginRegister

      Statistics

      View Usage StatisticsView Google Analytics Statistics

      Bilkent University

      If you have trouble accessing this page and need to request an alternate format, contact the site administrator. Phone: (312) 290 1771
      © Bilkent University - Library IT

      Contact Us | Send Feedback | Off-Campus Access | Admin | Privacy