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Defect energy levels in HfO2 high-dielectric-constant gate oxide

Xiong, K.; Robertson, J.; Gibson, M.C.; Clark, S.J.

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K. Xiong

J. Robertson

M.C. Gibson


This letter presents calculations of the energy levels of the oxygen vacancy and oxygen interstitial defects in HfO2 using density functional methods that do not need an empirical band gap correction. The levels are aligned to those of the Si channel using the known band offsets. The oxygen vacancy gives an energy level nearer the HfO2conduction band and just above the Si gap, depending on its charge state. It is identified as the main electron trap in HfO2. The oxygen interstitial gives levels just above the oxide valence band.


Xiong, K., Robertson, J., Gibson, M., & Clark, S. (2005). Defect energy levels in HfO2 high-dielectric-constant gate oxide. Applied Physics Letters, 87(18), Article 183505.

Journal Article Type Article
Acceptance Date Sep 1, 2005
Publication Date Oct 31, 2005
Deposit Date Jan 31, 2012
Publicly Available Date Aug 18, 2015
Journal Applied Physics Letters
Print ISSN 0003-6951
Electronic ISSN 1077-3118
Publisher American Institute of Physics
Peer Reviewed Peer Reviewed
Volume 87
Issue 18
Article Number 183505


Published Journal Article (431 Kb)

Copyright Statement
© 2005 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Applied Physics Letters 87, 183505 (2005) and may be found at

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