Simulation of structural phase transitions in ionic crystals under conditions of high pressures and temperatures

Structural phase transitions of the $\mathrm{B1}$–$\mathrm{B2}$ type in alkali halide crystals are investigated at a temperature other than $0$ K. The pressure of $\mathrm{B1}$–$\mathrm{B2}$ phase transition is calculated as a function of temperature. The calculated pressure of $\mathrm{B1}$–$\mathrm{B2}$ transition in these crystals is weakly and almost linearly dependent on temperature. For a number of ionic crystals, the $p_0(T)$ curve has a maximum at some value of temperature.