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- W1972503980 abstract "In this study, it is demonstrated that high-resolution orientation-dependent electron energy-loss near-edge fine structure recorded in a transmission electron microscope provides key information on the effect of protons on the O K edge of ${mathrm{Mg}(mathrm{OH})}_{2}$ (brucite). The contribution of protons to the O K edge has been identified on the basis of theoretical simulations and interpretations of the x-ray-absorption near-edge structure, which has been modeled in the framework of full multiple scattering theory and the tight-binding linear muffin-tin orbital band-structure method. The orientation-dependent experimental data agree well with theoretical calculations, taking into account the structural anisotropy. The O-H bonds parallel to the c axis produce two characteristic peaks at 10 and 20 eV above the onset of the O K edge when momentum transfer is parallel to c. The O K-edge spectrum is interpreted in terms of mixing between the central O p and neighboring H $1s$ and Mg $3s$ and $3p$ orbitals." @default.
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- W1972503980 date "1999-08-01" @default.
- W1972503980 modified "2023-10-01" @default.
- W1972503980 title "ELNES spectroscopy and XANES calculations of the O<i>K</i>edge: Orientation dependence and effects of protons in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Mg</mml:mi><mml:mo>(</mml:mo><mml:mi mathvariant=normal>OH</mml:mi><mml:mo>)</mml:mo><mml:mn /></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>" @default.
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- W1972503980 doi "https://doi.org/10.1103/physrevb.60.3815" @default.
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