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- W62014204 abstract "Abstract The Born elastic stability criterion provides a useful method of predicting polymorphic transitions at high pressure. Elastic constants can be extrapolated to high pressure, and a phase transition must occur before any of the shear elastic constants vanish. Many pressure-induced transitions are related to a macroscopic shear of the crystal lattice, in which cases, the dimensionless ratio of the shear elastic constant to the bulk modulus Ct/K is related to the curvature of the free energy along the reaction coordinate leading from the low-pressure to the high-pressure phase, and this ratio is a crude indicator of the Gibbs free energy difference between the two phases. We calculate the free energy for a model lattice as it transforms continuously from the NaCl to the CsCl lattice at a number of pressures to demonstrate this connection between the shear elastic constant C44 and the pressure-induced phase change. We have measured the single crystal elastic constants of KCl from zero pressure to the phase transition at 20 kbar. These data show that the elastic constants vary linearly with pressure right up to the transition, when the shear constant C44 has decreased to the relatively low value of only 20.6% of the bulk modulus. In other alkali halides, we infer similar behavior of the ratio α = C44/K at the transition from the extrapolation of low-pressure elastic constant data, and find similar behavior for other pressure-induced phase transitions with a usually in the range 0.15–0.20. This modification of the Born criterion can be used to predict phase transitions in several compounds when C44/K decreases to a critical value." @default.
- W62014204 created "2016-06-24" @default.
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- W62014204 date "1977-01-01" @default.
- W62014204 modified "2023-09-28" @default.
- W62014204 title "PREDICTION OF HIGH PRESSURE PHASE TRANSITIONS BY ELASTIC CONSTANT DATA" @default.
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- W62014204 doi "https://doi.org/10.1016/b978-0-12-468750-9.50026-7" @default.
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