Vacancy-Hydrogen Complexes in ZnO

Jan Kuriplach; Gerhard Brauer; Oksana Melikhova; Jakub Čížek; Ivan Procházka; W. Anwand; Wolfgang Skorupa

doi:10.4028/www.scientific.net/MSF.607.117

Paper Titles

Positron Implantation and Transmission Experiments on Free-Standing Nanometric Polymer Films
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Slow Positron Beam Probe for the ZnO/Silicone under Proton Irradiation
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Hydrogen- and Corrosion-Related Defect Characterization of Iron and Steels Using a Slow Positron Beam
p.111

Disordered Structures of Adsorbed Hydrogens on Ni(111) Surface Studied by Slow Positron Beam and LEED
p.114

Vacancy-Hydrogen Complexes in ZnO
p.117

Positron Lifetime Study on Degradation of TiCrV Hydrogen Storage Alloy
p.122

Structure and Positron Characteristics of Basic Open Volume Defects in Zirconia
p.125

Luminescence and Defect Study of Ce³⁺-Doped Lu₃Al₅O₁₂ Phosphors
p.128

The Behavior of Oxygen and Defects in Si-Based Semiconductor Studied by Positron Annihilation Techniques
p.131

HomeMaterials Science ForumMaterials Science Forum Vol. 607Vacancy-Hydrogen Complexes in ZnO

Vacancy-Hydrogen Complexes in ZnO

Abstract:

Hydrogen is an important impurity in zinc oxide and can be incorporated into the lattice in several ways. Hydrogen can be also bound by vacancies that can be studied using positron annihilation techniques. Here we examine theoretically oxygen and zinc vacancies in ZnO, the latter also with hydrogen atoms inside. Several computational approaches are employed to determine the defect geometries and related positron characteristics. Positron-induced forces are also taken into account. Calculated positron lifetimes are compared with those observed in experiment, which gives an indication of the presence of zinc vacancy-hydrogen complexes in ZnO materials.