Negative oxygen vacancies in HfO$_2$ as charge traps in high-k stacks

J. L. Gavartin; D. Munoz Ramo; A. L. Shluger; G. Bersuker; B. H. Lee

doi:10.1063/1.2236466

Negative oxygen vacancies in HfO$_2$ as charge traps in high-k stacks

Materials Science 2009-11-11 v1 Other Condensed Matter

Authors: J. L. Gavartin , D. Munoz Ramo , A. L. Shluger , G. Bersuker , B. H. Lee

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Abstract

We calculated the optical excitation and thermal ionization energies of oxygen vacancies in m-HfO $_2$ using atomic basis sets, a non-local density functional and periodic supercell. The thermal ionization energies of negatively charged V $^-$ and V $^{2-}$ centres are consistent with values obtained by the electrical measurements. The results suggest that negative oxygen vacancies are the likely candidates for intrinsic electron traps in the hafnum-based gate stack devices.

Keywords

oxygen vacancies HfO2 charge traps high-k stacks thermal ionization energies density functional theory

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@article{arxiv.cond-mat/0605593,
  title  = {Negative oxygen vacancies in HfO$_2$ as charge traps in high-k stacks},
  author = {J. L. Gavartin and D. Munoz Ramo and A. L. Shluger and G. Bersuker and B. H. Lee},
  journal= {arXiv preprint arXiv:cond-mat/0605593},
  year   = {2009}
}

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3 pages, 2 figures

Negative oxygen vacancies in HfO$_2$ as charge traps in high-k stacks

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