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Unified Landau description of the tetragonal, orthorhombic, and monoclinic phases of zirconia

We compute an explicit lowest-order polynomial form of the strain-dependent Gibbs potential which provides a unified description of the tetragonal, orthorhombic, and monoclinic phases of zirconia (ZrO 2 ). The resulting energy function interpolates well the available experimental data for this material, reproducing its known elastic moduli, equilibrium strains, and phase diagram to about 1700 K and 8 GPa.