Abstract
Cubic zirconia exhibits a soft phonon mode $({X}_{2}^{\ensuremath{-}})$ which becomes dynamically unstable at low temperatures. Previous ab initio investigations into the temperature-induced stabilization of the soft mode treated it as an independent anharmonic oscillator. Calculations presented here, using the self-consistent ab initio lattice-dynamical method to evaluate the phonons at 2570 K, show that the soft mode should not be treated independently of other phonon modes. Phonon-phonon interactions stabilize the ${X}_{2}^{\ensuremath{-}}$ mode. Furthermore, the effective potential experienced by the mode takes on a quadratic form.
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