The temperature of the structural phase transition in GeTe is calculated complete ab initio from a model lattice-dynamical Hamiltonian that is constructed from microscopic quantum-mechanical total-energy calculations. The phase transition in the model system is studied through a renormalization-group-theory approach, leading to the prediction of a fluctuation-driven first-order transition at 657±{}100 K.
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Rabe et al. (1987) studied this question.
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