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Structural phase transition and related properties of calcium chalcogenides

P. BHARDWAJ1, S. SINGH1,* , R. K. SINGH2

Affiliation

  1. High Pressure Research Lab. Department of Physics, Barkatullah University, Bhopal-462026, India.
  2. School of Basic Sciences, MATS University, Raipur-492002, India

Abstract

The pressure induced phase transition and related properties of calcium chalcogenides (CaX, X=S, Se, Te) have been investigated by using the three body potential (TBP) model, after modifying it including the van der Waals attraction and covalency effects. The modified TBP model has been found to reproduce well the experimentally observed phase transition (B1-B2) pressures and associated volume collapses in these chalcogenides. The present results on phase transitions associated volume collapses, and elastic constants have shown closer resemblance with the results obtained other from more sophisticated theoretical calculations.

Keywords

Calcium chalcogenides, Volume collapse, Elastic constants, Phase transition..

Submitted at: April 20, 2010
Accepted at: June 16, 2010

Citation

P. BHARDWAJ, S. SINGH, R. K. SINGH, Structural phase transition and related properties of calcium chalcogenides, Journal of Optoelectronics and Advanced Materials Vol. 12, Iss. 6, pp. 1297-1305 (2010)