Phase Transitions in Ionic Crystals under Ultrahigh Pressures |
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| Authors: | Karpenko S. V. Kyarov A. Kh. Temrokov A. I. |
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| Affiliation: | (1) Scientific Research Institute of Applied Mathematics and Automation of the Kabardino–Balkarian Scientific Center of the Russian Academy of Sciences, Russia;(2) Kabardino–Balkarian State University, Russia |
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| Abstract: | Structural phase transitions induced in alkali-halide crystals by an ultrahigh pressure are investigated. The pressure of the B1–B2 transition in an infinite crystal is calculated with the use of ion pair interaction potentials obtained by the self-consistent method in the context of nonuniform electron gas theory. In the approximation of seven coordination spheres, relative changes in volumes of B1 and B2 modifications of a number of alkali-halide crystals are calculated. |
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