High-pressure behavior of calcium chalcogenides

The B1–B2 phase transition and elastic properties of calcium chalcogenides at high pressure have been investigated using the Born–Mayer type potential considered up to nearest and next-nearest neighbor interaction. The computed values of B1–B2 phase transition pressure and equation of state (compression curve) are in excellent agreement with the experimental data. The present study gives the simple and straightforward method to determine the B1–B2 phase transition properties in calcium chalcogenides and shows that for these compounds the short range potential parameters, namely range and hardness parameter, should be different in two different phases, i.e. in B1 and B2 phases.