The Matsui-Akaogi and Luan-Huynh-Zhou empirical potentials of TiO2 yield significantly different pressure-temperature phase diagrams, and neither reproduces the experimental phase behaviour of titanium dioxide.
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Phase behaviour of empirical potentials of titanium dioxide
The Matsui-Akaogi and Luan-Huynh-Zhou empirical potentials of TiO2 yield significantly different pressure-temperature phase diagrams, and neither reproduces the experimental phase behaviour of titanium dioxide.