Theory of a carbon-oxygen-hydrogen recombination center in n-type Si

J. Coutinho, P Santos, S. Öberg, Michelle Vaqueiro Contreras, Vladimir Markevich, Matthew Halsall, Anthony Peaker

    Research output: Contribution to journalArticlepeer-review


    We have recently found that in-diffusion of hydrogen into n-type Si crystals containing oxygen and carbon impurities can result in the formation of powerful recombination centers [M. Vaqueiro-Contreras et al., submitted to PSS RRL]. Here we describe a combination of first-principles calculations and electrical measurements to investigate the composition, structure, electrical activity and recombination mechanism of a carbon-oxygen-hydrogen complex (COH) in Si. We found a defect comprising a carbon-oxygen complex connected to an H atom whose location depends on the charge state of the complex, and showing a calculated acceptor level at Ev+0.3 eV, a few meV away from the observations.
    Original languageEnglish
    Article number1700309
    JournalPhysica Status Solidi. A: Applications and Materials Science
    Issue number7
    Early online date19 Jun 2017
    Publication statusPublished - 6 Jul 2017


    • silicon
    • Solar cells
    • Recombination defects
    • Carbon-Oxygen-Hydrogen
    • Electrical levels

    Research Beacons, Institutes and Platforms

    • National Graphene Institute


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