Theoretical investigations on electron trap generation by fluorine atoms in SiO2 film

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Abstract
Theoretical investigation on the influence of F atoms incorporated into a thermal SiO2 film is presented. Energetics on the reaction of F atoms with the SiO2 film and the generation of electron traps are discussed using ab initio molecular orbital calculations. The computational result shows that a F atom dissociates a Si—O bond and generates OSi≡ moiety which can trap an electron. This gives a qualitatively appropriate explanation for the experimental result that F incorporated atoms into the SiO2 film generate electron traps.