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    • 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 ...