Study of microscopic electron state of non-stoichiometric plutonium oxide including oxygen vacancy

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Microscopic electron state of non-stoichiometric plutonium oxide including oxygen vacancy was analyzed by experiments of ^<17>O-NMR and the first principles calculations. Oxygen potentials of non-stoichiometric plutonium oxides were also calculated by using the above results. The calculation results are in good agreement with the experimental data. This is the first report of the evaluation method of oxygen potential using the first principles calculations.