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Nitrogen pair − hydrogen complexes in ZnO and p-type doping.
Published online by Cambridge University Press: 13 February 2012
Abstract
Electronic structure calculations using the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional are presented for NO-pair complexes with and without hydrogen to test the hypothesis that such defect complexes could lead to shallower levels than for isolated NO and hence p-type doping. The H is found to bind strongly to one of the N in the pair and removes thecorresponding defect level from the gap but the second N’s polaronic defect level in the gap remains deep.
- Type
- Research Article
- Information
- MRS Online Proceedings Library (OPL) , Volume 1394: Symposium M – Oxide Semiconductors–Defects, Growth and Device Fabrication , 2012 , mrsf11-1394-m05-06
- Copyright
- Copyright © Materials Research Society 2012
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