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Nitrogen pair − hydrogen complexes in ZnO and p-type doping.

Published online by Cambridge University Press:  13 February 2012

Adisak Boonchun ,
Walter R. L. Lambrecht ,
Jiraroj T-Thienprasert  and
Sukit Limpijumnong
Adisak Boonchun
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106-7079, USA
Walter R. L. Lambrecht
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106-7079, USA
Jiraroj T-Thienprasert
Affiliation:
Department of Physics, Kasetsart University, Bangkok 10900, Thailand Thailand Center of Excellence in Physics (ThEP Center), Commission on Higher Education, Bangkok 10400, Thailand
Sukit Limpijumnong
Affiliation:
Thailand Center of Excellence in Physics (ThEP Center), Commission on Higher Education, Bangkok 10400, Thailand School of Physics, Suranaree University of Technology and Synchrotron Light Research Institute, Nakhon Ratchasima 30000, Thailand
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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.

Keywords

oxidedopantN
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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References

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