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Crystal Structure Prediction and its Application in Earth and Materials Sciences : Appendix1: Xenon oxides at high pressures : Chemical reactions for Xe-O system

2 Chemical reactions for Xe-O system

Fig 9.4 shows the predicted Gibbs free energy of formation of Xe-O compounds at different temperatures and $P$ = 100 GPa. It can be clearly seen that XeO and XeO$_2$ are thermodynamically stable at 100 GPa. The thermal stability of XeO$_2$ increases with temperature.

\includegraphics[scale=0.5]{pdf/100GPa.png}
Figure 9.4: Predicted Gibbs free energy of formation of Xe-O compounds at different temperatures and $P$ = 100 GPa. For clarity, the Gibbs free energies of formation were shifted by -0.1, -0.2, and -0.3 eV/atom at 1000, 2000, and 3000 K, respectively.
Previous: Crystallographic data Up: Appendix1: Xenon oxides at high pressures Next: Electronic structure Crystal Structure Prediction and its Application in Earth and Materials Sciences