Negative oxygen vacancies in HfO2 as charge traps in high-k stacks

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  • J. L. Gavartin
    University College London Department of Physics and Astronomy, , Gower Street, London WC1E 6BT, United Kingdom
  • D. Muñoz Ramo
    University College London Department of Physics and Astronomy, , Gower Street, London WC1E 6BT, United Kingdom
  • A. L. Shluger
    University College London Department of Physics and Astronomy, , Gower Street, London WC1E 6BT, United Kingdom
  • G. Bersuker
    SEMATECH , 2706 Metropolis Dr., Austin, Texas 78741
  • B. H. Lee
    SEMATECH , 2706 Metropolis Dr., Austin, Texas 78741

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<jats:p>The optical excitation and thermal ionization energies of oxygen vacancies in m-HfO2 are calculated using a non-local density functional theory with atomic basis sets and periodic supercell. The thermal ionization energies of negatively charged V− and V2− centers are consistent with values obtained by the electrical measurements. The results suggest that negative oxygen vacancies are essentially polaronic in origin. They are likely candidates for intrinsic shallow electron traps in the hafnium based gate stack devices.</jats:p>

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