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  • 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.
  • 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. (en)
Title
  • Vacancy-hydrogen Complexes in ZnO
  • Vacancy-hydrogen Complexes in ZnO (en)
skos:prefLabel
  • Vacancy-hydrogen Complexes in ZnO
  • Vacancy-hydrogen Complexes in ZnO (en)
skos:notation
  • RIV/00216208:11320/09:00206914!RIV10-MSM-11320___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(OC 165), Z(MSM0021620834)
http://linked.open...iv/cisloPeriodika
  • neuveden
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 348319
http://linked.open...ai/riv/idVysledku
  • RIV/00216208:11320/09:00206914
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • Vacancy-hydrogen; Complexes; ZnO (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • CH - Švýcarská konfederace
http://linked.open...ontrolniKodProRIV
  • [3BBF38A6678D]
http://linked.open...i/riv/nazevZdroje
  • Materials Science Forum
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 607
http://linked.open...iv/tvurceVysledku
  • Anwand, Wolfgang
  • Brauer, Gerhard
  • Kuriplach, Jan
  • Melikhova, Oksana
  • Procházka, Ivan
  • Čížek, Jakub
  • Skorupa, W.
http://linked.open...ain/vavai/riv/wos
  • 000264749800032
http://linked.open...n/vavai/riv/zamer
issn
  • 0255-5476
number of pages
http://localhost/t...ganizacniJednotka
  • 11320
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