Negative oxygen vacancies in HfO2 as charge traps in high-k stacks
Abstract
We calculated the optical excitation and thermal ionization energies of oxygen vacancies in m-HfO2 using atomic basis sets, a non-local density functional and periodic supercell. The thermal ionization energies of negatively charged V- and V2- 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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