Chemical Structures of Oxynitrides/Si(100) Interface

Kato, Hiroki; Takahashi, Kyoko; Nohira, H.; Tamura, Norimichi; Hikazutani, K.; Sano, Shuto; Hattori, Tadashi

doi:10.7567/ssdm.2000.b-7-2

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Comparison Of Si/sio 2 and Si/sio X N Y Interfaces1

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“…The structure of Si/SiOxNy interface shown in Eq. 2 is considered as the main structure of the Si/SiO x N y interface (14). The calculated reaction energies for Eqs.…”

Section: Comparison Of Si/sio 2 and Si/sio X N Y Interfacesmentioning

confidence: 99%

Transfer of a Positive Fixed Charge between Si and SiO2 in a Si/SiO2 Interface with Hydrogen Migration

Ushio

Maruizumi²

2007

ECS Trans.

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The transfer reaction of the positive fixed charge at the Si/SiO2 interface accompanied by hydrogen migration, which is a basic phenomenon to consider negative-bias temperature instability, was investigated using the ab initio molecular orbital method. Comparing the activation energies, we determined the most likely reaction path. We found that the reaction path can be stabilized more by migration of an electrically neutral H atom from a Si substrate to a positively charged O atom than by migration of a proton from a Si substrate to an electrically neutral O atom. The calculated atomic charges and atomic spin densities also supported our conclusion.

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“…The structure of Si/SiOxNy interface shown in Eq. 2 is considered as the main structure of the Si/SiO x N y interface (14). The calculated reaction energies for Eqs.…”

Section: Comparison Of Si/sio 2 and Si/sio X N Y Interfacesmentioning

confidence: 99%