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Inclusion of covalency effect in high pressure structural properties of some semiconducting ternary alloys

S. SINGH1, P. BHARDWAJ1,*

Affiliation

  1. Department of Physics, Barkatullah University, Bhopal-462026, India.

Abstract

We have investigated the phase transition pressures and associated volume collapses in the calcium chalcogenide mixed crystals using two models. A modified interaction potential model (model-I) has been developed by including covalency effect in interaction potential model (model-II) and the results from model-I are found to be better and they are in good agreement with experiment. The study has been extended to mixed crystals and the effect of composition on transition pressure, volume change, Cauchy violation and elastic anisotropy are investigated. To further enhance the reliability of present model and to judge the mechanical stability of present materials, elastic combinations, elastic wave velocity and average wave velocity are also calculated and effect of pressure on them is discussed. As the Poisson ratio is an important value to know the properties of compounds found in Earth's crust, we have calculated the Poisson ratio (σ) of present chalcogenides and they are found to be in the range of ~ (0.22-0.25)..

Keywords

Alloys,Semiconductors, High pressure, Crystal structure, Mechanical properties.

Submitted at: Sept. 24, 2010
Accepted at: Nov. 19, 2010

Citation

S. SINGH, P. BHARDWAJ, Inclusion of covalency effect in high pressure structural properties of some semiconducting ternary alloys, Journal of Optoelectronics and Advanced Materials Vol. 12, Iss. 11, pp. 2261-2271 (2010)