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    G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach

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    Type
    Article
    Authors
    Wang, H.
    Chroneos, A.
    Londos, C. A.
    Sgourou, E. N.
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2014-05-14
    Online Publication Date
    2014-05-14
    Print Publication Date
    2014-05-14
    Permanent link to this record
    http://hdl.handle.net/10754/552146
    
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    Abstract
    Electronic structure calculations employing screened hybrid density functional theory are used to gain fundamental insight into the interaction of carbon interstitial (Ci) and substitutional (Cs) atoms forming the CiCs defect known as G-center in silicon (Si). The G-center is one of the most important radiation related defects in Czochralski grown Si. We systematically investigate the density of states and formation energy for different types of CiCs defects with respect to the Fermi energy for all possible charge states. Prevalence of the neutral state for the C-type defect is established.
    Citation
    G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach 2014, 115 (18):183509 Journal of Applied Physics
    Publisher
    AIP Publishing
    Journal
    Journal of Applied Physics
    DOI
    10.1063/1.4875658
    Additional Links
    http://scitation.aip.org/content/aip/journal/jap/115/18/10.1063/1.4875658
    ae974a485f413a2113503eed53cd6c53
    10.1063/1.4875658
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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