Open AccessThe study of the behavior of Al impurity in ZnO lattice by a fullerene like model
Author(s) -
L. Ovsiannikova,
G. V. Lashkarev,
В. В. Картузов,
D. V. Myroniuk,
M.V. Dranchuk,
А. І. Євтушенко
Publication year - 2021
Publication title -
fìzika ì hìmìâ tverdogo tìla
Language(s) - English
Resource type - Journals
eISSN - 2309-8589
pISSN - 1729-4428
DOI - 10.15330/pcss.22.2.204-208
Subject(s) - impurity , fullerene , vacancy defect , lattice (music) , acceptor , materials science , ionization energy , chemical physics , ionization , condensed matter physics , crystallography , chemistry , ion , physics , organic chemistry , acoustics
The fullerene like Zn32Al4O36 clusters were investigated and the oxygen interstitial Oi 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 Oi 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.