Structural description of the [Na.sub.2][B.sub.4][O.sub.7]-[Na.sub.3][AIF.sub.6]-Ti[O.sub.2] system. IR and Raman study of the solidified melts

Article Abstract:

The pseudo-binary [Na.sub.2][B.sub.4][O.sub.7]-[Na.sub.3][AIF.sub.6]-Ti[O.sub.2] system is examined at room temperature by employing X-ray diffraction, IR Raman, and UV-vis spectroscopies. Evolution of the different spectra with [Na.sub.2][B.sub.4][O.sub.7] and Ti[O.sub.2] contents revealed proof of the breaking-up of the large borate rings in favor of small borate units, the diminution of the [B.sub.IV] fraction, and the partial substitution of oxygen by fluorine with the formation of oxyfluoride species.

Potassium & Sodium Compounds, Sodium & Sodium Compounds, Analysis, Titanium compounds, Raman spectroscopy, Sodium compounds

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Infrared intensities of nu(Si-H) on H/Si(100)-2x1: Effect of O incorporation and agglomeration

Article Abstract:

Hybrid density functional calculations is carried out on a cluster models of the pristine and oxidized hydrogen-terminated Si(100)-2x1 surface in order to examine the changes in the surface infrared absorption spectrum upon incorporation of oxygen. A tremendous increase in the nu(Si-H) band intensity is found for the oxidized surface due to a combination of geometric and electronic effects.

Hydrogen, Electric properties, Density functionals, Density functional theory

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High-temperature phase of MgSiF (sub 6) 6H (sub 2) O by EPR of manganese ions

Article Abstract:

The Mn (super 2plus) EPR spectra in the high temperature phase MgSiF (sub 6) 6H (sub 2) O is interepreted, the models presented are the continuous and the discrete antiphase domain walls. The ferroelastic phase transaction for each resonance transition for two EPR lines are observed, the broad one and narrow one.

Electron paramagnetic resonance spectroscopy, Magnesium, Magnesium (Metal)

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