SADHNA SINGH^1,* , P.J. JOFFY¹, M. FAISAL SHAREEF¹

Abstract

High pressure phase transition and mechanical properties of SmAs which crystallize in NaCl (B1) structure has been investigated using the three body interaction potential (TBIP) approach. These interactions arise due to the electron shell deformation of the overlapping ions in the crystals. The TBIP model consists of long range Coulombic, three body interaction and the short range overlap repulsive forces operative up to next nearest neighbor ions. During phase transition there is an intermediate tetragonal phase which can be viewed as distorted CsCl (B2) structure and finally it transforms to CsCl (B2) phase at phase transition pressure. The values of phase transition pressure, associated volume collapse, bulk modulus and its pressure derivative estimated by us are found to be well suited with experimental values. Thus TBPIM is in good agreement with their available measured data. In view of its overall success, it can be regarded as an adequate and appropriate model suitable for high pressure studies..

Keywords

High Pressure, Phase transition, Three body interaction, Volume Collapse, Elastic Properties.

Submitted at: July 27, 2010
Accepted at: June 9, 2011

Citation

SADHNA SINGH, P.J. JOFFY, M. FAISAL SHAREEF, Structural phase transition and mechanical properties of SmAs under high pressure, Journal of Optoelectronics and Advanced Materials Vol. 13, Iss. 6, pp. 706-712 (2011)

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