4:00 PM - 6:00 PM
[15p-PA04-3] Formation energy at a stable site for diatomic molecules in Si3N4 and SiO2 films
Keywords:reliability, diatomic molecule, molecular orbital calculation
The formation energies delta-Hd at the stable positions during the penetration of H2O, O2, N2, and C2 molecules into Si3N4 and SiO2 films were calculated by the semiempirical molecular orbital method. By assuming that the delta-Hd of these molecules is equal to the sum of the mesh deformation and the electrostatic interaction, we could explain that they have intermediate values between plus 1 and minus 1 ions.