A new self-consistent framework uses only ground-state properties to quantitatively predict finite-temperature thermodynamics, dielectric properties, and critical behaviors in displacive ferroelectrics like PbTiO3 and SrTiO3.
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A Self-Consistent Computational Framework for Displacive Ferroelectrics from the Condensed Ground State
A new self-consistent framework uses only ground-state properties to quantitatively predict finite-temperature thermodynamics, dielectric properties, and critical behaviors in displacive ferroelectrics like PbTiO3 and SrTiO3.