Thermodynamic study of CVD-ZrO_2 phase diagrams

摘要

Chemical vapor deposition (CVD) of zirconium oxide (ZrO_2) from zirconium acetylacetonate Zr(acac)_4 has been thermodynamically investigated using the Gibbs' free energy minimization method and the FACTSAGE program. Thermodynamic data Cp°, △H° and S° for Zr(acac)_4 have been estimated using the Meghreblian-Crawford-Parr and Benson methods because they are not available in the literature. The effect of deposition parameters, such as temperature and pressure, on the extension of the region where pure ZrO_2 can be deposited was analyzed. The results are presented as calculated CVD stability diagrams. The phase diagrams showed two zones, one of them corresponds to pure monoclinic phase of ZrO_2 and the other one corresponds to a mix of monoclinic phase of ZrO_2 and graphite carbon.