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Semiconductors

, Volume 52, Issue 8, pp 1047–1050 | Cite as

Magnetic Properties of Vacancies and Doped Chromium in a ZnO Crystal

  • V. N. Jafarova
  • G. S. Orudzhev
  • S. S. Huseynova
  • V. R. Stempitsky
  • M. S. Baranava
Microcrystalline, Nanocrystalline, Porous, and Composite Semiconductors

Abstract

The electronic and magnetic properties of ZnO containing Cr doped atoms and Zn and O vacancies in its crystal structure are theoretically investigated. Calculations are performed using Atomistix Tool Kit and Vienna Ab-initio Simulation Package software implementing the electron density functional theory method with the Hubbard correction. It is shown that the magnetic moment of a defect supercell strongly depends on the impurity concentration and presence of vacancies. The doping of an oxygen atom increases the probability of zinc-vacancy formation.

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Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  • V. N. Jafarova
    • 1
  • G. S. Orudzhev
    • 1
    • 2
  • S. S. Huseynova
    • 1
  • V. R. Stempitsky
    • 3
  • M. S. Baranava
    • 3
  1. 1.Institute of PhysicsNational Academy of Sciences of AzerbaijanBakuAzerbaijan
  2. 2.Azerbaijan Technical UniversityBakuAzerbaijan
  3. 3.Belarusian State University of Informatics and Radio ElectronicsMinskBelarus

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