A tentative model for estimating the compressibility of rock-salt AgCl$_{x}$ Br$_{1−x}$ alloys

Pramana

Efthimios S Skordas¹  Vassiliki Katsika-Tsigourakou1¹ 

[1] Department of Solid State Physics, Faculty of Physics, University of Athens, Panepistimiopolis, 157 84 Zografos, Greece$$

关键词: Compressibility;    point defects;    mixed crystals.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

Ab initio detailed calculations of the elastic properties of AgCl𝑥 Br1−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.

【 授权许可】

Unknown