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- W2320223879 abstract "Charge traps in silicon nitride and their interaction have been studied by first principle density functional theory (DFT) calculations. The ${K}^{0}({mathrm{N}}_{3}mathrm{ensuremath{equiv}}mathrm{Si}ifmmodebulletelsetextbulletfi{})$ and ${N}^{0}({mathrm{Si}}_{2}=mathrm{N}ifmmodebulletelsetextbulletfi{})$ Si and N dangling bond centers, respectively, are electrically active paramagnetic point defects. They show an amphoteric behavior and convert into the more stable diamagnetic charged centers ${K}^{ensuremath{-}}({mathrm{N}}_{3}{mathrm{ensuremath{equiv}}mathrm{Si}}^{mathrm{ensuremath{-}}}),$ ${K}^{+}({mathrm{N}}_{3}{mathrm{ensuremath{equiv}}mathrm{Si}}^{+}),$ ${N}^{ensuremath{-}}({mathrm{Si}}_{2}{=mathrm{N}}^{mathrm{ensuremath{-}}}),$ and ${N}^{+}({mathrm{Si}}_{2}{=mathrm{N}}^{+}).$ The overcoordination of ${K}^{+}$ and ${N}^{+}$ and the electrostatic interaction with the ${K}^{ensuremath{-}}$ or ${N}^{ensuremath{-}}$ counterparts are important contributions to the negative-U character of the defects." @default.
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- W2320223879 date "2000-06-01" @default.
- W2320223879 modified "2023-10-14" @default.
- W2320223879 title "Charge transfer and charge conversion ofKandNdefect centers inSi3N4" @default.
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- W2320223879 doi "https://doi.org/10.1103/physrevb.61.15005" @default.
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