The study of the behavior of Al impurity in ZnO lattice by a fullerene like model

  • L.I. Ovsiannikova Frantsevich Institute for Problems of Materials Science, NASU
  • G.V. Lashkarev Frantsevich Institute for Problems of Materials Science, NASU
  • V.V. Kartuzov Frantsevich Institute for Problems of Materials Science, NASU
  • D.V. Myroniuk Frantsevich Institute for Problems of Materials Science, NASU
  • M.V. Dranchuk Frantsevich Institute for Problems of Materials Science, NASU
  • A.I. Ievtushenko Frantsevich Institute for Problems of Materials Science, NASU
Keywords: Fullerene like model, Zinc Oxide, Al Ionization energy, ; Native defects formation energies, ZnO packing defects

Abstract

The fullerene like Zn32Al4O36 clusters were investigated and the oxygen interstitial Oi acceptor intrinsic defect formation energy as well as Al ionization energy were calculated. The effect of lattice packing defects on the electroactivity of Al impurity was investigated. Analysis of the defects formation energies shows the smaller formation energy of interstitial Oi in a comparison with a formation of Zn vacancy. This allows us to formulate recommendations of technological conditions for films deposition, with improved electroactivity of Al donor.

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Published
2021-04-20
How to Cite
[1]
OvsiannikovaL., LashkarevG., KartuzovV., MyroniukD., DranchukM. and IevtushenkoA. 2021. The study of the behavior of Al impurity in ZnO lattice by a fullerene like model. Physics and Chemistry of Solid State. 22, 2 (Apr. 2021), 204-208. DOI:https://doi.org/10.15330/pcss.22.2.204-208.
Section
Scientific articles (Physics)