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https://www.ias.ac.in/article/fulltext/pram/080/02/0307-0313

Compressibility; point defects; mixed crystals.

Ab initio detailed calculations of the elastic properties of AgCl$_{x} Br$_{1−x}$ alloys were recently made using density-functional perturbation theory and by employing the virtual crystal approximation or by means of the full potential linearized augmented plane wave method. Here, we suggest a simple theoretical model that enables estimation of isothermal compressibility of these alloys in terms of the elastic data of end-members alone. The calculated values are in satisfactory agreement with the experimental ones. The present model makes use of an early suggestion that interconnects Gibbs energy for the formation and/or migration of defects in solids with bulk properties.

Vassiliki Katsika-Tsigourakou¹ Efthimios S Skordas¹

1. Department of Solid State Physics, Faculty of Physics, University of Athens, Panepistimiopolis, 157 84 Zografos, Greece

Published

February 2013

Manuscript received

12 March 2012

Manuscript revised

22 June 2012

Accepted

24 July 2012