First-principle molecular model of PECVD SiOCH film for the mechanical and dielectric property investigation

The microstructure of PECVD carbon-doped oxide (SiOCH) film has been obtained for the first time by using a theoretical method to create molecular models of amorphous polymers with cross-links. This method generates atomic coordinates of chemically possible SiOCH film structures from a given atomic composition. We have confirmed that this method creates reasonable SiOCH film structures that explain the experimental results of IR spectrum, dielectric constant, and Young's modulus. Consequently, this method gives us a guideline for decreasing the density of PECVD SiOCH films having acceptable mechanical properties for interconnect applications.