Journal
APPLIED PHYSICS LETTERS
Volume 94, Issue 20, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3134487
Keywords
ab initio calculations; bonds (chemical); chemical exchanges; density functional theory; Fourier transform spectra; infrared spectra; low-k dielectric thin films; molecular dynamics method; organic compounds; reaction kinetics theory; silicon compounds; spectrochemical analysis; X-ray photoelectron spectra
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Funding
- Semiconductor Research Corporation [1862.001]
- Robert Welch Foundation [B-1356]
- UNT
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Fourier transform infrared (FTIR) spectroscopy, x-ray photoelectron spectroscopy (XPS), and ab initio density functional theory-based molecular dynamics simulations demonstrate fundamental mechanisms for CH3 abstraction from organosilicate films by thermal O(P-3). Ex situ FTIR analysis demonstrates that film exposure to thermal O(P-3) yields chemical changes similar to O-2 plasma exposure. In situ XPS indicates that exposure to thermal O(P-3) yields O/OH incorporation in the organosilicate film concurrent with carbon loss from the surface region. These results are consistent with simulations indicating specific low kinetic barrier (< 0.1 eV) reactions resulting in concurrent Si-C bond scission and Si-O bond formation.
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