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

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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.

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Acknowledgments

Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).

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Authors and Affiliations

  1. Solid State Physics Section, University of Athens, Panepistimiopolis Zografos, 157 84, Athens, Greece

    S.-R. G. Christopoulos, C. A. Londos & E. N. Sgourou

  2. PSE Division, KAUST, Thuwal, 23955-6900, Saudi Arabia

    H. Wang & U. Schwingenschlögl

  3. Faculty of Engineering and Computing, Coventry University, Coventry, CV1 2JH, UK

    A. Chroneos

  4. Department of Materials, Imperial College, London, SW7 2AZ, UK

    A. Chroneos

Authors
  1. S.-R. G. Christopoulos
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  2. H. Wang
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  3. A. Chroneos
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  4. C. A. Londos
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  5. E. N. Sgourou
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  6. U. Schwingenschlögl
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Correspondence to A. Chroneos.

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Christopoulos, SR.G., Wang, H., Chroneos, A. et al. VV and VO2 defects in silicon studied with hybrid density functional theory. J Mater Sci: Mater Electron 26, 1568–1571 (2015). https://doi.org/10.1007/s10854-014-2576-9

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  • DOI: https://doi.org/10.1007/s10854-014-2576-9

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