The Grüneisen parameter and equation of state at a pressure-induced phase transition

Physics

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Scientific paper

The Grüneisen parameter γ is computed within a microscopic model of lattice dynamics. A microscopic Hamiltonian is transformed in such a way that one can understand how a special mode of the lattice at a certain wave vector goes to zero when the compressed solid transforms to the new structure. This mode is called the ``soft mode''. The soft-mode Grüneisen parameter diverges at the phase transition and its contribution to the average Grüneisen parameter becomes dominant so that γ decreases rapidly.
The corresponding Mie-Grüneisen equation of state describes the whole region of the two phases including the phase transition zone. With the help of a phenomenological theory of phase transitions one can obtain similar results. The numerical value of the effect for phase transitions in the Earth's mantle is estimated.

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