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The thermodynamic properties of tetragonal-ZrO 2 (t-ZrO 2 ) were investigated at high pressures and temperatures using plane-wave pseudopotential method within generalized gradient approximation (GGA) and the quasi-harmonic Debye model. The variations of the volume, bulk modulus, the heat capacity, entropy, Debye temperature, the Grüneisen parameter and thermal expansion coefficient...
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