TY - JOUR AU - Ovsiannikova, L.I. AU - Lashkarev, G.V. AU - Kartuzov, V.V. AU - Myroniuk, D.V. AU - Dranchuk, M.V. AU - Ievtushenko, A.I. PY - 2021/04/20 Y2 - 2024/03/28 TI - The study of the behavior of Al impurity in ZnO lattice by a fullerene like model: Array JF - Physics and Chemistry of Solid State JA - Phys. Chem. Sol. State VL - 22 IS - 2 SE - Scientific articles (Physics) DO - 10.15330/pcss.22.2.204-208 UR - https://journals.pnu.edu.ua/index.php/pcss/article/view/4817 SP - 204-208 AB - <p>The fullerene like Zn<sub>32</sub>Al<sub>4</sub>O<sub>36</sub> clusters were investigated and the oxygen interstitial O<sub>i</sub> acceptor intrinsic defect formation energy as well as Al ionization energy were calculated. The effect of lattice packing defects on the electroactivity of Al impurity was investigated. Analysis of the defects formation energies shows the smaller formation energy of interstitial O<sub>i</sub> in a comparison with a formation of Zn vacancy. This allows us to formulate recommendations of technological conditions for films deposition, with improved electroactivity of Al donor.</p> ER -