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Pressure-induced phase transition in some alkali halides at high temperature and pressure

VASUDEV THAKRE1, SADHNA SINGH2,*

Affiliation

  1. Sagar Institute of Science & Technology, Gandhi Nagar, Bhopal, India
  2. High Pressure Research Lab, Department of Physics, Barkatullah University, Hoshangabad Road, Bhopal-462026, India

Abstract

In this paper we have developed a realistic interaction potential model to study the high pressure phase transition of ionic alkali-metal compounds KCl and NaCl, having B1 structure at room temperature. We have theoretically investigated phase transition pressure and volume collapse of KCl and NaCl at high temperature. In addition, elastic constants at different pressures were discussed, and found results well suited with available experimental data. The thermo dynamical properties of B1 phase of KCl and NaCl were also predicted. This shows that the inclusion of temperature effect in potential model makes the present model suitable for theoretical high-pressure studies..

Keywords

Phase transition, Cohesive energy, Alkali metals, High pressure, Elastic constants.

Submitted at: Dec. 5, 2011
Accepted at: Oct. 30, 2012

Citation

VASUDEV THAKRE, SADHNA SINGH, Pressure-induced phase transition in some alkali halides at high temperature and pressure, Journal of Optoelectronics and Advanced Materials Vol. 14, Iss. 11-12, pp. 952-958 (2012)