Pressure dependence of the lattice dynamics of diaspore, α-AlO(OH), from Raman spectroscopy and density functional perturbation theory
Source abstract
Abstract
We have measured the pressure-induced change in the lattice dynamics of diaspore, α-AlO(OH), by in situ Raman spectroscopy up to 25 GPa. The spectra are evaluated by density functional perturbation theory-based atomistic model calculations. The assignment of calculated to experimentally observed Raman bands is based on the calculation of Raman intensities. We discuss the accuracy of the approach employed for these calculations and explain the relative magnitudes of mode Gruneisen parameters.
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Research context
OpenAlex topics: High-pressure geophysics and materials · Crystal Structures and Properties · Thermal Expansion and Ionic Conductivity
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References (19)
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