Theoretical study of the elastic constants of calcite at the transition calcite I-calcite II

Physics

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Scientific paper

Sudden changes in the elastic stiffness constants of single crystalline calcite at the transition calcite I-calcite II (Vo Thanh and Lacam) are interpreted in terms of the interaction between pressure induced elastic strains and the rotational mode of CO3= groups. The latter is softened at the critical pressure, causing the transition.
Our theoretical analysis explains qualitatively the experimental observations and data.

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