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First-principles study of the structure and stability of oxygen defects in zinc oxide

✍ Scribed by Erhart, Paul; Klein, Andreas; Albe, Karsten

Book ID
126780798
Publisher
The American Physical Society
Year
2005
Tongue
English
Weight
352 KB
Volume
72
Category
Article
ISSN
1098-0121

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## Abstract Electronic structures and carrier transport properties were studied based on ab‐initio calculations for Au/ZnO/Au and Mg/ZnO/Mg two‐probe models. Quantum‐mechanically stable structures were obtained by density functional calculations. Electron transmission spectra and current–voltage ch