酸化物結晶における酸素イオン

概要

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The Oxygen atoms are supposed to become the doubly-charged negative ions in oxide crystals. There is, however, no experimental evidence of the existence of such ions in gas phase and they are probably very unstable. We suppose, therefore, they are stable only in oxide crystals by the effects of the surrounding ions. So we have attemtted to work its electronic states in the oxide crystals by the variational method, which we used for the calculation of the cohesive energy of LiF. We attacked the above mentioned problem for MgO and proved that the doubly-charged negative ion of oxigen may be stable in MgO crystals. We calculated also the electronic affinity of it and diamagnetic susceptibility of MgO crystals theoretically and compared it with observed values and found the agreement was rather good.
宇宙航空研究開発機構の論文
1951-06-05