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

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arxiv cond-mat/0605593 v1 pith:E7W3IWBA submitted 2006-05-24 cond-mat.mtrl-sci cond-mat.other

J. L. Gavartin , D. Munoz Ramo , A. L. Shluger , G. Bersuker , B. H. Lee This is my paper · ORCID
classification cond-mat.mtrl-scicond-mat.other
keywords oxygenvacanciesenergiesionizationnegativethermaltrapsatomic
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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.

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