Two-fold coordinated nitrogen atom: an electron trap in MOS devices with silicon oxynitride as the gate dielectric

摘要

Having conducted semiempirical quantum-chemical simulation (MlNDO/3) of several clusters at different charge states, we identify that the two-fold coordinated nitrogen atom with an un-paired electron (≡Si_2N·) is the most responsible trap center for the observation of large electronic capturing in SiO_xN_y. Our calculations also show that electron localized in this defect will result in spin dissipation. Trap formation and removal mechanisms during nitridation and re-oxidation are also discussed in this work.