Now showing items 1-5 of 5

    • Ab initio calculations of pure and Co+2-doped MgF2 crystals 

      Usseinov, Abay; Gryaznov, Denis; Popov, Anatoli; Kotomin, Eugene A.; Seitov, D. D.; Abuova, Fatima; Nekrasov, Kirill A.; Akilbekov, Abdirash T. (Elsevier B.V., 2020)
      Ab initio calculations of the atomic, electronic and vibrational structure of a pure and Co+2 doped MgF2 crystals were performed and discussed. We demonstrate that Co+2 (3d7) ions substituting for Mg is in the high spin ...
    • Ion track template technique for fabrication of ZnSe2O5 nanocrystals 

      Akilbekov, Abdirash T.; Akylbekova, Aiman; Usseinov, Abay; Kozlovskiy, A. L.; Baymukhanov, Z.; Giniyatova, Sh G.; Popov, Anatoli I.; Dauletbekova, Alma (Elsevier B.V., 2020)
      ZnSe2O5 nanocrystals with an orthorhombic structure were synthesized by electrochemical deposition into a-SiO2/n-Si ion track template formed by 200 MeV Xe ion irradiation with the fluence of 107 ions/cm2. The lattice ...
    • Ion-Track Template Synthesis and Characterization of ZnSeO3 Nanocrystals 

      Dauletbekova, Alma; Akylbekova, Aiman; Sarsekhan, Gulnaz; Usseinov, Abay; Baimukhanov, Zein; Kozlovskiy, Artem; Vlasukova, Liudmila A.; Komarov, Fadey F.; Popov, Anatoli i.; Akilbekov, Abdirash T. (MDPI, 2022)
      ZnSeO3 nanocrystals with an orthorhombic structure were synthesized by electrochemical and chemical deposition into SiO2/Si ion-track template formed by 200 MeV Xe ion irradiation with the fluence of 107 ions/cm2 . The ...
    • Pair vacancy defects in β-Ga2O3 crystal: Ab initio study 

      Usseinov, Abay; Platonenko, Aleksander; Koishybayeva, Zhanymgul; Zdorovets, Maxim; Popov, Anatoli I. (Elsevier, 2022)
      Despit many studies dedicated to the defects in β-Ga2O3, information about formation processes of complex “donor-acceptor” defects in β-Ga2O3 and their energetic characteristics is still very scarce. Meanwhile, complex ...
    • Vacancy defects in Ga2O3: First-principles calculations of electronic structure 

      Usseinov, Abay; Koishybayeva, Zhanymgul; Platonenko, Alexander; Pankratov, Vladimir; Suchikova, Yana; Akilbekov, Abdirash; Zdorovets, Maxim; Purans, Juris; Popov, Anatoli I. (Multidisciplinary Digital Publishing Institute (MDPI), 2021)
      First-principles density functional theory (DFT) is employed to study the electronic structure of oxygen and gallium vacancies in monoclinic bulk β-Ga2 O3 crystals. Hybrid exchange– correlation functional B3LYP within the ...