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.
Citation:
V. N. Jafarova, G. S. Orudzhev, S. S. Guseinova, V. R. Stempitsky, M. S. Baranava, “Magnetic properties of vacancies and doped chromium in a ZnO crystal”, Fizika i Tekhnika Poluprovodnikov, 52:8 (2018), 916–920; Semiconductors, 52:8 (2018), 1047–1050
\Bibitem{JafOruGus18}
\by V.~N.~Jafarova, G.~S.~Orudzhev, S.~S.~Guseinova, V.~R.~Stempitsky, M.~S.~Baranava
\paper Magnetic properties of vacancies and doped chromium in a ZnO crystal
\jour Fizika i Tekhnika Poluprovodnikov
\yr 2018
\vol 52
\issue 8
\pages 916--920
\mathnet{http://mi.mathnet.ru/phts5763}
\crossref{https://doi.org/10.21883/FTP.2018.08.46219.8678}
\elib{https://elibrary.ru/item.asp?id=35269436}
\transl
\jour Semiconductors
\yr 2018
\vol 52
\issue 8
\pages 1047--1050
\crossref{https://doi.org/10.1134/S1063782618080055}
Linking options:
https://www.mathnet.ru/eng/phts5763
https://www.mathnet.ru/eng/phts/v52/i8/p916
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Yuji Kurimoto, Daiki Kobayashi, Naoki Asou, Tamotsu Okamoto, “Formation and characterization of ZnS and CdZnS films using open-air chemical vapor deposition for buffer layers of compound semiconductor solar cells”, Jpn. J. Appl. Phys., 62:SK (2023), SK1048
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Mansour Mohamed, A. Sedky, Abdullah S. Alshammari, Marzook S. Alshammari, Z. R. Khan, M. Bouzidi, M. Gandouzi, “Structural, FTIR, optical, mechanical and magnetic properties of Zn1-xFexO with various Fe nanopowder additions”, Appl. Phys. A, 128:5 (2022)
A. V. Pashkevich, A. K. Fedotov, Yu. V. Kasyuk, L. A. Bliznyuk, J. A. Fedotova, N. A. Basov, A. S. Fedotov, I. A. Svito, E. N. Poddenezhny, “Structure and electric properties of zink oxide-based ceramics doped with iron”, Izv. vysš. učebn. zaved., Mater. èlektron. teh., 21:3 (2019), 133
Alexey V. Pashkevich, Aleksandr K. Fedotov, Yuliya V. Kasyuk, Liudmila A. Bliznyuk, Julia A. Fedotova, Nikita A. Basov, Alexander S. Fedotov, Ivan A. Svito, Evgheni N. Poddenezhny, “Structure and electrical properties of zinc oxide base iron doped ceramics”, MoEM, 4:3 (2018), 87