Abstract
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.
- Received 7 October 1986
DOI:https://doi.org/10.1103/PhysRevLett.59.570
©1987 American Physical Society
