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Chemical structure assumed for the SiOCH film.
Schematic illustrations for the steps to generate network structures, randomization of Si-unit configurations (a), temporary connections of Si units (b), modifications of Si-unit connections (c), and structure relaxation (d).
View of model structure 2 [eight unit cells ]. The white and gray atoms represent hydrogen and carbon atoms, respectively, and the black atoms represent silicon or oxygen atoms. Lattice constants are in Å.
Calculated IR curve for model structure 2 (a) and experimentally observed FTIR spectrum (b). The vertical lines under the IR curve in (a) represent IR intensities of individual normal modes. The IR curve in (a) is obtained by broadening each black line to a Gaussian function with half-value-width of .
Density dependence of dielectric constant (a) and Young’s modulus (b). Filled circles: calculated data for the PECVD film, open circles: experimental data for the SOD films.
List of modeled structures. , density; , deviations of Si–O bond lengths (difference between maximum and minimum); , Young’s modulus; and , dielectric constant.
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