Phase transitions and elasticity in zirconia
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2013, Journal of Physics and Chemistry of SolidsCitation Excerpt :One of the main goals is to derive a transferable model describing the properties of zirconia at all temperatures and pressures. Cohen et al. have used the potential ion breathing (PIB) model to derive elastic constants and equations of state for several ZrO2 polymorphs [10]. However, even if the PIB has been found to generally give better results than rigid ion models [11], there were still significant discrepancies with experiments which have been attributed to nonspherical charge relaxation not included.
The detailed orbital-decomposed electronic structures of tetragonal ZrO<inf>2</inf>
2013, Physica B: Condensed MatterCitation Excerpt :One of the main goals is to derive a transferable model describing the properties of zirconia at all temperatures and pressures. Cohen et al. have used the potential ion breathing (PIB) model to derive elastic constants and equations of state for several ZrO2 polymorphs [10]. However, even if the PIB has been found to generally give better results than rigid ion models [11], there were still significant discrepancies with experiments which have been attributed to nonspherical charge relaxation not included in the PIB approach.