Study of the Effects of the Antisite Related Defects in Silicon Dioxide of Metal-Oxide-Semiconductor Structure on the Gate Leakage Current

The effects of the antisite related defects on the electronic structure of silica and the gate leakage current have been investigated using first-principles calculations. Energy levels related to the antisite defects in silicon dioxide have been introduced into the bandgap, which are nearly 2.0 eV from the top of the valence band. Combining with the electronic structures calculated from first-principles simulations, tunneling currents through the silica layer with antisite defects have been calculated. The tunneling current calculations show that the hole tunneling currents assisted by the antisite defects will be dominant at low oxide field whereas the electron direct tunneling current will be dominant at high oxide field. With increased thickness of the defect layer, the threshold point where the hole tunneling current assisted by antisite defects in silica is equal to the electron direct tunneling current extends to higher oxide field.