Energetic of nitrogen incorporation reactions in SiO[sub 2]

Orellana, Walter
February 2004
Applied Physics Letters;2/9/2004, Vol. 84 Issue 6, p933
Academic Journal
We study using first-principles calculations the energetic, structural and electronic properties of nitrogen incorporation in SiO[sub 2]. We consider NO, NH, N[sub 2] and atomic N as the nitriding species interacting with a Si–Si bond of an otherwise perfect SiO[sub 2] network in order to simulate the nitrogen incorporation near Si–SiO[sub 2] interface regions. We find that all the species react with the Si–Si bond forming bridge structures with the Si atoms without dissociating, where NH and atomic N form the most stable structures. Concerning the electronic properties, our results show that incorporated NH is the only structure which does not introduce trapping center at the interface. The structures involving NO and atomic N are acceptors, whereas that involving N[sub 2] may be either a donor or an acceptor. The hydrogen passivation of the electrically active centers is also discussed. © 2004 American Institute of Physics.


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