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• W2042023210 abstract "The problem of the geometry of interstitial oxygen in silicon is settled by proper consideration of the quantum delocalization of the oxygen atom around the bond-center position. The calculated infrared absorption spectrum accounts for the 517 and 1136 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$ bands in their position, character, and isotope shifts. The asymmetric line shape of the 517 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$ peak is also well reproduced. In addition a non-infrared-active symmetric-stretching mode is found at 596 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$. First-principles calculations are presented supporting the nontrivial quantum delocalization of the oxygen atom." @default.
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• W2042023210 date "1995-03-15" @default.
• W2042023210 modified "2023-10-18" @default.
• W2042023210 title "Geometry and quantum delocalization of interstitial oxygen in silicon" @default.
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• W2042023210 doi "https://doi.org/10.1103/physrevb.51.7862" @default.
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