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Divacancy-Hydrogen Complexes in Zinc Oxide

  • Jan Kuriplach (a1), Gerhard Brauer (a2), Oksana Melikhova (a3), Jakub Cizek (a4), Ivan Prochazka (a5) and Wolfgang Anwand (a6)...

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.

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Keywords

Divacancy-Hydrogen Complexes in Zinc Oxide

  • Jan Kuriplach (a1), Gerhard Brauer (a2), Oksana Melikhova (a3), Jakub Cizek (a4), Ivan Prochazka (a5) and Wolfgang Anwand (a6)...

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