Theoretical study of the SiO2/Si interface and its effect on energy band profile and MOSFET gate tunneling current

Two SiO2/Si interface structures, which are described by the double bonded model (DBM) and the bridge oxygen model (BOM), have been theoretically studied via first-principle calculations. First-principle simula-tions demonstrate that the width of the transition region for the interface structure described by DBM is larger than that for the interface structure described by BOM. Such a difference will result in a difference in the gate leakage current. Tunneling current calculation demonstrates that the SiO2/Si interface structure described by DBM leads to a larger gate leakage current.