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Phase transition and elastic properties of calcium chalcogenides at high pressure

B. S. ARYA1, MAHENDRA AYNYAS2,* , SANKAR P. SANYAL3

Affiliation

  1. Department of Physics, Govt. Narmada College, Hoshangabad 461001,India
  2. Department of Physics, S. V. College, Bhopal 462030, India
  3. Department of Physics, University of Bhopal, Bhopal 462026, India

Abstract

We have investigated high pressure structural behavior and elastic properties of Calcium chalcogenides (CaX; X = S, Se, Te) by using a two body inter ionic potential approach with modified ionic charge (Zm).The equation of state, phase transition pressure in NaCl (B1) to CsCl (B2) structural phase and associated volume collapse at transition pressure obtained from this approach and compared with recently measured energy dispersive X- ray data reveal good agreement with experimental results. We have also investigated bulk modulii, pressure derivatives, second and third order elastic constants at transition pressure which show predominantly ionic nature of these compounds. The variations of C11 and C44 with pressure are also presented..

Keywords

Calcium chalcogenide, Phase transition, High pressure.

Submitted at: May 15, 2008
Accepted at: June 9, 2008

Citation

B. S. ARYA, MAHENDRA AYNYAS, SANKAR P. SANYAL, Phase transition and elastic properties of calcium chalcogenides at high pressure, Journal of Optoelectronics and Advanced Materials Vol. 10, Iss. 6, pp. 1311-1314 (2008)