Abstract
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 language | English |
|---|---|
| Pages (from-to) | 2370-2373 |
| Number of pages | 4 |
| Journal | Microelectronic Engineering |
| Volume | 84 |
| Issue number | 9-10 |
| DOIs | |
| Publication status | Published - 2007 Sep 1 |
| Externally published | Yes |
Keywords
- Amorphous
- Formation energy
- HfO
- Oxygen defects
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Surfaces, Coatings and Films
- Electrical and Electronic Engineering
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Cite this
Kaneta, C., & Yamasaki, T. (2007). Oxygen-related defects in amorphous HfO2 gate dielectrics. Microelectronic Engineering, 84(9-10), 2370-2373. https://doi.org/10.1016/j.mee.2007.04.083