Browsing Zinātniskie raksti (CFI) / Scientific articles by Subject "Fluoride"
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Ab initio calculations of pure and Co+2-doped MgF2 crystals
(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 ...