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

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

2006-05-24

arxiv.org/abs/cond-mat/0605593v1

Physics

Condensed Matter

Materials Science

3 pages, 2 figures

Scientific paper

10.1063/1.2236466

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.

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