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    VV and VO2 defects in silicon studied with hybrid density functional theory

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    Type
    Article
    Authors
    Christopoulos, Stavros Richard G
    Wang, Hao
    Chroneos, Alexander I.
    Londos, Charalampos A.
    Sgourou, Efstratia N.
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2014-12-07
    Online Publication Date
    2014-12-07
    Print Publication Date
    2015-03
    Permanent link to this record
    http://hdl.handle.net/10754/575625
    
    Metadata
    Show full item record
    Abstract
    The formation of VO (A-center), VV and VO2 defects in irradiated Czochralski-grown silicon (Si) is of technological importance. Recent theoretical studies have examined the formation and charge states of the A-center in detail. Here we use density functional theory employing hybrid functionals to analyze the formation of VV and VO2 defects. The formation energy as a function of the Fermi energy is calculated for all possible charge states. For the VV and VO2 defects double negatively charged and neutral states dominate, respectively.
    Citation
    Christopoulos, S.-R. G., Wang, H., Chroneos, A., Londos, C. A., Sgourou, E. N., & Schwingenschlögl, U. (2014). VV and VO2 defects in silicon studied with hybrid density functional theory. Journal of Materials Science: Materials in Electronics, 26(3), 1568–1571. doi:10.1007/s10854-014-2576-9
    Sponsors
    Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).
    Publisher
    Springer Nature
    Journal
    Journal of Materials Science: Materials in Electronics
    DOI
    10.1007/s10854-014-2576-9
    ae974a485f413a2113503eed53cd6c53
    10.1007/s10854-014-2576-9
    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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