Magnetic Properties of Vacancies and Doped Chromium in a ZnO Crystal
- Authors: Jafarova V.N.1, Orudzhev G.S.1,2, Huseynova S.S.1, Stempitsky V.R.3, Baranava M.S.3
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Affiliations:
- Institute of Physics
- Azerbaijan Technical University
- Belarusian State University of Informatics and Radio Electronics
- Issue: Vol 52, No 8 (2018)
- Pages: 1047-1050
- Section: Microcrystalline, Nanocrystalline, Porous, and Composite Semiconductors
- URL: https://journals.rcsi.science/1063-7826/article/view/203883
- DOI: https://doi.org/10.1134/S1063782618080055
- ID: 203883
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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.
About the authors
V. N. Jafarova
Institute of Physics
Email: suma_huseynova.physics@mail.ru
Azerbaijan, Baku, Az-1143
G. S. Orudzhev
Institute of Physics; Azerbaijan Technical University
Email: suma_huseynova.physics@mail.ru
Azerbaijan, Baku, Az-1143; Baku, Az-1143
S. S. Huseynova
Institute of Physics
Author for correspondence.
Email: suma_huseynova.physics@mail.ru
Azerbaijan, Baku, Az-1143
V. R. Stempitsky
Belarusian State University of Informatics and Radio Electronics
Email: suma_huseynova.physics@mail.ru
Belarus, Minsk, 22013
M. S. Baranava
Belarusian State University of Informatics and Radio Electronics
Email: suma_huseynova.physics@mail.ru
Belarus, Minsk, 22013