• Corpus ID: 117547579

Hf defects in HfO2/Si

  title={Hf defects in HfO2/Si},
  author={Wanderl{\~a} L. Scopel and Ant{\^o}nio J. R. da Silva and A. Fazzio Universidade Federal Fluminense and Escola de Engenharia Industrial Metalurgica de Volta Redonda and R.J. and Brasil and Institutode F{\'i}sica and Universidade de Sao Paulo and S.-P.},
  journal={arXiv: Materials Science},
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…