Quartz–cristobalite alloy-like model of SiO2 film growth on Si (100) substrate.

To qualify the nature of a SiO2 film grown on a Si single crystal substrate by surface oxidation, we originally propose a quartz–cristobalite (Q–C) alloy-like model of SiO2 film growth on a Si (100) substrate. We treat two types of Si–SiO2 transformations as reactions when oxidizing a Si wafer surface: Si–quartz transformation with Si emissions and Si–cristobalite transformation without Si emission. Expanding into a Q–C alloy-like model using the Hakoniwa method enables us to estimate both the ratio of Si emitting from the SiO2/Si interface among involved Si atoms in the thermally oxidized Si wafer surface and molecular volume expansion ratio from Si to SiO2. In addition, SiO2 film stress generated during oxidation is also discussed. [ABSTRACT FROM AUTHOR]