Logo RUB
  • Institute
    • ICAMS
      • Mission
      • Structure
      • Members
      • Fellows
    • Departments & Research Groups
      • Atomistic Modelling and Simulation
      • Scale-Bridging Thermodynamic and Kinetic Simulation
      • Micromechanical and Macroscopic Modelling
      • Artificial Intelligence for Integrated Material Science
      • Computational Design of Functional Interfaces
      • Scale-Bridging Simulation of Functional Composites
      • Materials Informatics and Data Science
      • High-Performance Computing in Materials Science
    • Central Services
      • Coordination Office
      • IT
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information
 
ICAMS
ICAMS
MENÜ
  • RUB-STARTSEITE
  • Institute
    • ICAMS
    • Departments & Research Groups
    • Central Services
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information
Home » Research » Publications

Just another WordPress site - Ruhr-Universität Bochum

Interstitial iron impurities at cores of dissociated dislocations in silicon

B. Ziebarth, M. Mrovec, C. Elsässer, P. Gumbsch

Physical Review B, 92, 195308, (2015)

DOI: 10.1103/PhysRevB.92.195308

Download: BibTEX

Dislocations play an important role in semiconductor devices made of crystalline silicon (Si). They are known to be strongly performance-limiting defects in solar cell applications, since they act as preferred segregation sites for metallic impurities. In this work we investigate the segregation of iron (Fe) to the cores of the 30° and 90° partial dislocations in Si using atomistic calculations based on first-principles density functional theory. Our simulations show that interstitial Fe impurities segregate readily to all investigated cores and the driving force for the segregation increases with impurity concentration. Moreover, our analysis of the electronic structure reveals the existence of deep defect levels within the band gap that can be related to experimental observations by deep-level transient spectroscopy.

back
{"type":"article", "name":"b.ziebarth201511", "author":"B. Ziebarth and M. Mrovec and C. Elsässer and P. Gumbsch", "title":"Interstitial iron impurities at cores of dissociated dislocations in silicon", "journal":"Physical Review B", "volume":"92", "OPTnumber":"19", "OPTmonth":"11", "year":"2015", "OPTpages":"195308", "OPTnote":"", "OPTkey":"", "DOI":"10.1103/PhysRevB.92.195308"}
Logo RUB
  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Ruhr-Universität Bochum
Universitätsstraße 150
44801 Bochum

  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Seitenanfang Kontrast N