Equations of state for polar solids at high pressures and elevated temperatures

Three approaches to the modeling of ionic solids at elevated temperatures and high pressures are outlined and examples given in each case. We consider (i) atomistic simulation techniques using the ionic model and two‐body potentials (ii) the use of analytic equations of state above and below the Debye temperature and (iii) the use of ab initio, periodic Hartree‐Fock methods. Results are reported for CaO, MgO, NaCl, and LiF, and we also examine the rutile‐fluorite high pressure phase transition in MgF2.