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    • Transition levels of acceptor impurities in ZnO crystals by DFT-LCAO calculations 

      Usseinov, A. B.; Zhukovskii, Yu. F.; Kotomin, Eugene A.; Akilbekov, A. T.; Zdorovets, M. V.; Baubekova, G. M.; Karipbayev, Zh. T. (Institute of Physics Publishing, 2018)
      Large scale ab-initio calculations are carried out to study the charge state transition levels of nitrogen and phosphorus impurity defects in zinc oxide crystals using the DFT-LCAO approximation as implemented into the ...