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Divacancy-Hydrogen Complexes in Zinc Oxide

Published online by Cambridge University Press:  31 January 2011

Jan Kuriplach ,
Gerhard Brauer ,
Oksana Melikhova ,
Jakub Cizek ,
Ivan Prochazka  and
Wolfgang Anwand
Jan Kuriplach
Affiliation:
jan.kuriplach@mff.cuni.cz, Charles University, Low Temperatures, Prague, Czech Republic
Gerhard Brauer
Affiliation:
g.brauer@fzd.de, Forschungszentrum Dresden-Rossendorf, Institut für Strahlenphysik, Dresden, Germany
Oksana Melikhova
Affiliation:
oksivmel@yahoo.com, Charles University, Low Temperatures, Prague, Czech Republic
Jakub Cizek
Affiliation:
jakub.cizek@mff.cuni.cz, Charles University, Low Temperatures, Prague, Czech Republic
Ivan Prochazka
Affiliation:
ivan.prochazka@mff.cuni.cz, Charles University, Low Temperatures, Prague, Czech Republic
Wolfgang Anwand
Affiliation:
w.anwand@fzd.de, Forschungszentrum Dresden-Rossendorf, Institut für Strahlenphysik, Dresden, Germany
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Abstract

In the present work we study Zn+O divacancies filled up with varying amount of hydrogen atoms. Besides the structure and energy-related properties of such defects, we also investigate their capability to trap positrons taking into account positron induced forces. We show that the Zn+O divacancy may trap positrons when up to two hydrogen atoms are located inside the divacancy. The calculated properties are discussed in the context of other computational and experimental studies of ZnO.

Keywords

defectsoxideH
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1201: Symposium H – Zinc Oxide and Related Materials-2009 , 2009 , 1201-H02-03
Copyright
Copyright © Materials Research Society 2010

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