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- W2620515897 abstract "We have investigated the electronic structure of ${mathrm{Na}}_{x}{mathrm{Ca}}_{1ensuremath{-}x}{mathrm{Cr}}_{2}{mathrm{O}}_{4}$ using x-ray absorption spectroscopy together with Anderson impurity model calculations. We show ${mathrm{Na}}_{x}{mathrm{Ca}}_{1ensuremath{-}x}{mathrm{Cr}}_{2}{mathrm{O}}_{4}$ takes an unusual mixed-valence electronic state in which the positive charge-transfer (CT) and the negative CT states coexist. While ${mathrm{CaCr}}_{2}{mathrm{O}}_{4}$ (one end member) exhibits a typical CT nature with strong covalent character, Na substitution causes a negative CT state with an oxygen hole. In ${mathrm{NaCr}}_{2}{mathrm{O}}_{4}$ (the other end member), positive CT and negative CT states coexist with equal weight. This unusual electronic state is in sharp contrast to the conventional mixed-valence description in which the ground state can be described by the mixture of ${mathrm{Cr}}^{3+}$ ($3{d}^{3}$) and ${mathrm{Cr}}^{4+}$ ($3{d}^{2}$)." @default.
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- W2620515897 date "2017-12-08" @default.
- W2620515897 modified "2023-10-16" @default.
- W2620515897 title "Unusual coexistence of negative and positive charge transfer in mixed-valenceNaxCa1−xCr2O4" @default.
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- W2620515897 doi "https://doi.org/10.1103/physrevb.96.245113" @default.
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