Browsing B6 – LU institūti un aģentūras / Institutes and agencies of the UL by Subject "Charged oxygen interstitial diffusion"

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    • Ab initio simulations on charged interstitial oxygen migration in corundum 

      Platonenko, Alexander; Gryaznov, Denis; Zhukovskii, Yuri F.; Kotomin, Eugene A. (Elsevier B.V., 2018)
      We have calculated possible migration trajectories for single-charged interstitial Oi− anion using large-scale hybrid density functional theory within linear combination of atomic orbitals approach to defective α-Al2O3 ...