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- W2019319071 abstract "We have developed a technique to analyze the ir stretch modes of XH defects in nonmetallic solids, where X is an atom or ion heavier than hydrogen. This technique draws heavily upon molecular theory: The XH defect is treated by a Morse potential modified by coupling of X to the lattice with use of a one-dimensional model. The electrical anharmonicity of the dipole moment is included in obtaining transition strengths. The importance of overtone data as well as deuteration is demonstrated. A number of systems involving ${mathrm{OH}}^{mathrm{ensuremath{-}}}$ in insulating solids are analyzed. These include (1) ${mathrm{OH}}^{mathrm{ensuremath{-}}}$, ${mathrm{OD}}^{mathrm{ensuremath{-}}}$, and ${mathrm{OT}}^{mathrm{ensuremath{-}}}$ in ${mathrm{TiO}}_{2}$ [J. B. Bates and R. A. Perkins, Phys. Rev. B 16, 3713 (1977)]; (2) ${mathrm{OH}}^{mathrm{ensuremath{-}}}$ and ${mathrm{OD}}^{mathrm{ensuremath{-}}}$ in Mg-doped LiF and NaF [R. Capelletti et al., Cryst. Latt. Defects Amorph. Mater. 16, 189 (1987)]; (3) ${mathrm{OH}}^{mathrm{ensuremath{-}}}$ and ${mathrm{OD}}^{mathrm{ensuremath{-}}}$ in ${mathrm{LiNbO}}_{3}$ [A. Forster et al., Phys. Status Solidi B 143, 755 (1987)]; and (4) ${mathrm{OH}}^{mathrm{ensuremath{-}}}$ and ${mathrm{OD}}^{mathrm{ensuremath{-}}}$ in CsCl and CsBr [M. Krantz and F. Luty, Phys. Rev. B 37, 7038 (1988)]. The defects in ${mathrm{TiO}}_{2}$ exhibit a surprisingly large mechanical anharmonicity. The data on Mg-doped fluorides indicate electrical anharmonicities which in some cases are considerably different from that of molecular ${mathrm{OH}}^{mathrm{ensuremath{-}}}$." @default.
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- W2019319071 date "1991-08-15" @default.
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- W2019319071 title "<i>X</i>H defects in nonmetallic solids: Isotope effects and anharmonicities as probes of the defect environment" @default.
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- W2019319071 doi "https://doi.org/10.1103/physrevb.44.2961" @default.
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