Abstract
We have predicted high pressure structural behavior and elastic properties of alkaline earth tellurides (AETe; AE = Ca, Sr, Ba) by using two body interionic potential approach with modified ionic charge (Z m e). This method has been found quite satisfactory in case of the rare earth compounds. The equation of state curve, structural phase transition pressure from NaCl (B1) to CsCl (B2) phase and associated volume collapse at transition pressure of alkaline earth tellurides (AETe) obtained from this approach, so have been compared with experimentally measured data reveal good agreement. We have also investigated bulk modulus, second and third order elastic constants and pressure derivatives of second order elastic constants at ambient pressure which shows predominantly ionic nature of these compounds. First time, we have calculated the Poisson ratio, Young and Shear modulus of these compounds.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
