Oxygen-related defects in amorphous HfO2 gate dielectrics

C. Kaneta, T. Yamasaki

Research output: Contribution to journalArticlepeer-review

35 Citations (Scopus)


Formation energies and electronic properties of oxygen defects in amorphous HfO2 gate dielectrics are investigated by employing the first-principles method based on the density functional theory. We have found that the formation energy of neutral oxygen vacancy in amorphous HfO2 distributes from 4.7 to 6.1 eV, most of which is lower than the value for cubic HfO2, 6.0 eV. The decrease of the formation energy is due to the small coordination number of oxygen atom in the amorphous structure. It is also found that the atomic oxygen incorporation is more favorable in amorphous HfO2 than in crystal HfO2.

Original languageEnglish
Pages (from-to)2370-2373
Number of pages4
JournalMicroelectronic Engineering
Issue number9-10
Publication statusPublished - 2007 Sept


  • Amorphous
  • Formation energy
  • HfO
  • Oxygen defects


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