Abstract
The structural and elastic properties of some alkaline earth mono-sulphide (AES: AE = Ca, Ba, Sr) under pressure have been investigated using a two body inter ionic potential approach with modified ionic charge (Zme). The phase transition pressures 39.9 GPa, 17.1 GPa, and 7.2GPa along with volume collapses 6%, 8.5% and 10.8% for CaS, SrS and BaS obtained by this approach, respectively and compared them with experimental measured data reveal good agreement. We have also calculated bulk modulus, pressure derivatives, second order (C11, C12& C44) and third order elastic constants (C111, C112, C123etc.) in NaCl (B1) phase which show predominantly ionic nature of these compounds.Keywords: High pressure behavior, equation of state, structural phase transition, second order elastic constants, third order elastic constants.
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