[15p-PA04-1~3] 13.3 Insulator technology

[15p-PA04-3] Formation energy at a stable site for diatomic molecules in Si₃N₄ and SiO₂ films

〇Tomoki Oku¹, Masahiro Totsuka¹, Hajime Sasaki¹ (1.Mitsubishi Electric)

Keywords:reliability, diatomic molecule, molecular orbital calculation

The formation energies delta-H_d 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-H_d 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.