Search results for "Dynamical instability"
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Pressure and temperature dependence of the lattice dynamics ofCuAlO2investigated by Raman scattering experiments andab initiocalculations
2006
We have studied the vibrational properties of $\mathrm{Cu}\mathrm{Al}{\mathrm{O}}_{2}$ by means of Raman scattering in ambient conditions, at low temperature, and also at high pressure. Results are discussed in the framework of an ab initio calculation. Raman active modes have wave numbers ${\ensuremath{\sigma}}_{{E}_{g}}=418.1\ifmmode\pm\else\textpm\fi{}0.2\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$ and ${\ensuremath{\sigma}}_{{A}_{1g}}=767.2\ifmmode\pm\else\textpm\fi{}0.3\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$. Polarized measurements with single crystals have confirmed their symmetry. We present and discuss the phonon-dispersion curves. Below $200\phant…
Vibrational properties of delafossiteCuGaO2at ambient and high pressures
2005
In this paper we investigate the vibrational properties of $\mathrm{Cu}\mathrm{Ga}{\mathrm{O}}_{2}$ delafossite by means of Raman experiments and ab initio calculations. Both investigations have been performed at ambient pressure and also at high pressure. The two Raman-active modes have frequencies ${w}_{{E}_{g}}=368\ifmmode\pm\else\textpm\fi{}1\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$ and ${w}_{{A}_{1g}}=729\ifmmode\pm\else\textpm\fi{}1\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$, and pressure coefficients $2.78\ifmmode\pm\else\textpm\fi{}0.03\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}∕\mathrm{GPa}$ $({E}_{g})$ and $4.64\ifmmode\pm\else\text…