TY - JOUR
TI - A tentative model for estimating the compressibility of rock-salt AgCl xBr1-x alloys
AU - Katsika-Tsigourakou, V.
AU - Skordas, E.S.
JO - Pramana - Journal of Physics
PY - 2013
VL - 80
TODO - 2
SP - 307-313
PB - 
SN - null
TODO - 10.1007/s12043-012-0466-3
TODO - Defects in solids;  Density-functional perturbation theory;  Elastic properties;  Full potential linearized augmented plane wave method;  Isothermal compressibility;  Mixed crystals;  Theoretical models;  Virtual crystal approximation, Alloys;  Calculations;  Compressibility;  Point defects;  Silver halides, Cerium alloys
TODO - Ab initio detailed calculations of the elastic properties of AgCl xBr1-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. © Indian Academy of Sciences.
ER -