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1 PublicationDivacancy-hydrogen complexes in zinc oxide
Kuriplach, J.; Brauer, G.; Melikhova, O.; Cizek, J.; Prochazka, I.; Anwand, W.
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: ZnO; Zn+O divacancies; hydrogen; computational and experimental studies
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Contribution to proceedings
Mater. Res. Soc. Symp., 30.11.-04.12.2009, Boston, MA, USA
Zinc Oxide and Related Materials - 2009, edited by Steve Durbin, Martin Allen, and Holger von Wenckstern, Mater. Res. Soc. Symp. Proc. 1201, Warrendale, PA, 2010), 1201-H02-03 (6 pp)
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