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• W1499405845 abstract "Ab initio calculations in the local-density approximation have been carried out in SiC to determine the possible configurations of the isolated oxygen impurity. Equilibrium geometry and occupation levels were calculated. Substitutional oxygen in $3C$-SiC is a relatively shallow effective mass like double donor on the carbon site $({mathrm{O}}_{mathrm{C}})$ and a hyperdeep double donor on the Si site $({mathrm{O}}_{mathrm{Si}}).$ In $4H$-SiC ${mathrm{O}}_{mathrm{C}}$ is still a double donor but with a more localized electron state. In $3C$-SiC ${mathrm{O}}_{mathrm{C}}$ is substantially more stable under any condition than ${mathrm{O}}_{mathrm{Si}}$ or interstitial oxygen $({mathrm{O}}_{mathrm{i}}).$ In $4H$-SiC ${mathrm{O}}_{mathrm{C}}$ is also the most stable one except for heavy n-type doping. We propose that ${mathrm{O}}_{mathrm{C}}$ is at the core of the electrically active oxygen-related defect family found by deep level transient spectroscopy in $4H$-SiC. The consequences of the site preference of oxygen on the ${mathrm{S}mathrm{i}mathrm{C}/mathrm{S}mathrm{i}mathrm{O}}_{2}$ interface are discussed." @default.
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• W1499405845 date "2002-09-27" @default.
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• W1499405845 title "Isolated oxygen defects in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mn>3</mml:mn><mml:mi>C</mml:mi></mml:math>- and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mn>4</mml:mn><mml:mi>H</mml:mi></mml:math>-SiC: A theoretical study" @default.
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• W1499405845 doi "https://doi.org/10.1103/physrevb.66.125208" @default.
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