Hf defects in HfO2/Si

Details Hf defects in HfO2/Si Hf defects in HfO2/Si

2006-08-30

arxiv.org/abs/cond-mat/0608677v1

Physics

Condensed Matter

Materials Science

3 pages, 4 figures

Scientific paper

We investigate the possibility that Hf defects exist in the Si channel of HfO2 Si-based metal-oxide-semiconductor devices. We have studied, using ab initio Density Functional Theory calculations, substitutional and interstitial Hf impurities in c-Si, for various charge states. Our results indicate that 1) the tetrahedral interstitial defect is energetically more favorable than the substitutional, and 2) there are various stable charge states in the Si gap. The possible presence of these charged impurities in the Si channel could lead to a mobility reduction, due to coulombic scattering.

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