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    • Ab initio calculations of pure and Co+2-doped MgF2 crystals 

      Usseinov, Abay; Gryaznov, Denis; Popov, Anatoli; Kotomin, Eugene A.; Seitov, D. D.; Abuova, Fatima; Nekrasov, Kirill A.; Akilbekov, Abdirash T. (Elsevier B.V., 2020)
      Ab initio calculations of the atomic, electronic and vibrational structure of a pure and Co+2 doped MgF2 crystals were performed and discussed. We demonstrate that Co+2 (3d7) ions substituting for Mg is in the high spin ...