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First-principles modeling of intrinsic and extrinsic defects in γ-Al2O3

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Sankaran, Kiroubanand [UCL] Pourtois, G. [University of Antwerp] Degraeve, R. [IMEC, Kapeldreef 75, B-3001 Leuven, Belgium] Zahid, M. B. [IMEC, Kapeldreef 75, B-3001 Leuven, Belgium] Rignanese, Gian-Marco [UCL] Van Houdt, J. [IMEC, Kapeldreef 75, B-3001 Leuven, Belgium]

The electronic properties of a set of intrinsic and extrinsic point defects in gamma-Al2O3 are investigated using quasiparticle calculations within the G(0)W(0) approximation. We find that the electronic signature of atomic vacancies lie deep in the band gap, close to the top of the valence band edge. The introduction of C, Si, and N impurities induces defective levels that are located close to the conduction band edge and near the middle of the band gap of the oxide. The comparison with electrical measurements reveals that the energy levels of some of these defects match with the electronic fingerprint of the defects reported in gamma-Al2O3 based nonvolatile memories. (C) 2010 American Institute of Physics. [doi:10.1063/1.3507385]

Document type Article de périodique (Journal article) – Article de recherche
Access type Accès restreint
Publication date 2010
Language Anglais
Journal information "Applied Physics Letters" - Vol. 97, no. 21, p. 212906 (2010)
Peer reviewed yes
Publisher American Institute of Physics ((United States) New York [etc.])
issn 0003-6951
e-issn 1077-3118
Publication status Publié
Affiliations UCL - SST/IMCN/NAPS - Nanoscopic Physics
UCL - SST/IMCN/NAPS - Nanoscopic Physics
Links
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Bibliographic reference Sankaran, Kiroubanand ; Pourtois, G. ; Degraeve, R. ; Zahid, M. B. ; Rignanese, Gian-Marco ; et. al. First-principles modeling of intrinsic and extrinsic defects in γ-Al2O3. In: Applied Physics Letters, Vol. 97, no. 21, p. 212906 (2010)
Permanent URL http://hdl.handle.net/2078.1/69254