High Pressure Induced Structural Phase Transition and Elastic Properties of Some Alkaline Earth Mono Selenides
Volume: 3 - Issue: 01 - Date: 01-01-2014
Approved ISSN: 2278-1412
Published Id: IJAECESTU222 | Page No.: 292-296
Author: B. S. Arya
Co- Author: Mahendra Aynyas,Ashok K. Ahirwar, Sankar P. Sanyal
Abstract:-The structural and elastic properties of some alkaline earth mono-selenides (AESe :
AE = Ca, Sr, Ba) under pressure have been investigated using a two body inter ionic potential
approach with modified ionic charge (Zme). 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 selenides (AESe) obtained from this approach, so have been compared with
experimentally measured data reveal good agreement. We have also investigated bulk modulus,
second (C11, C12 & C44) and third order (C111, C112, C123 etc.) 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.
Key Words:-High pressure behavior, Equation of state, structural phase transition, second order elastic constants, third order elastic constants
Area:-Engineering
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