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- W2043955489 abstract "An increase of the room-temperature band gap from 4.23 to 4.96 eV is observed in crystals of the superionic material yttria-stabilized cubic zirconia (YSZ) when the crystals are reduced either electrolytically or in a hydrogen atmosphere. The original absorption edge of 4.23 eV in unreduced YSZ can be accounted for by the excitation of an ${F}_{A}$ complex consisting of an ${mathrm{Y}}^{3+}$ ion and an ${F}^{+}$ oxygen vacancy. We assume the ground state of this complex lies in the valence band, whereas its first excited state ${F}_{A}^{mathrm{*}}$ formed by adding an additional electron lies in the gap 0.73 eV below the conduction band; the observed absorption is then due to optical excitation of this state from the valence band. Reduction of YSZ leads to the formation of doubly occupied oxygen vacancies, i.e., F centers, giving rise to a band of states in the gap. Arguments are put forth to show that as the F-center concentration increases, the mean energy of this band is raised by F-F interactions or by changes in the lattice relaxation; eventually, part of the band will lie above the ${F}_{A}^{mathrm{*}}$ state, at which point the corresponding F centers will decay by losing an electron to one of the ${F}_{A}^{mathrm{*}}$ states. This results in a shift of the optical absorption edge to the true band-gap energy, i.e., 4.96 eV, which is a true band-to-band transition." @default.
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- W2043955489 date "1989-10-15" @default.
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- W2043955489 title "Color-center-induced band-gap shift in yttria-stabilized zirconia" @default.
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- W2043955489 doi "https://doi.org/10.1103/physrevb.40.8555" @default.
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