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• W2023656594 abstract "Using a first-principles approach, we investigate the origin of the fine structure in Si $2p$ photoelectron spectra at the $mathrm{Si}(100)mathrm{text{ensuremath{-}}}(2ifmmodetimeselsetexttimesfi{}1)$ surface and at the $mathrm{Si}(100)mathrm{text{ensuremath{-}}}{mathrm{SiO}}_{2}$ interface. Calculated and measured shifts show very good agreement for both systems. By using maximally localized Wannier functions, we clearly identify the shifts resulting from the electronegativity of second-neighbor atoms. The other shifts are then found to be proportional to the average bond-length variation around the Si atom. Hence, in combination with accurate modeling, photoelectron spectroscopy can provide a direct measure of the strain field at the atomic scale." @default.
• W2023656594 created "2016-06-24" @default.
• W2023656594 creator A5033544377 @default.
• W2023656594 creator A5081056071 @default.
• W2023656594 date "2006-04-19" @default.
• W2023656594 modified "2023-10-12" @default.
• W2023656594 title "Origin of Fine Structure in Si<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mn>2</mml:mn><mml:mi>p</mml:mi></mml:math>Photoelectron Spectra at Silicon Surfaces and Interfaces" @default.
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• W2023656594 doi "https://doi.org/10.1103/physrevlett.96.157601" @default.
• W2023656594 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16712196" @default.
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