A tentative model for estimating the compressibility of rock-salt AgCl_{x}Br_{1-x} alloys

TL;DR

This paper introduces a simple theoretical model to estimate the isothermal compressibility of AgCl_{x}Br_{1-x} alloys using elastic data of the end members, aligning well with experimental results.

Contribution

A new model for estimating alloy compressibility based on elastic properties of pure components, simplifying previous complex calculations.

Findings

Model estimates agree with experimental data

Uses elastic data of end members only

Provides a straightforward approach for alloy compressibility

Abstract

Ab initio detailed calculations of the elastic properties of AgCl_{x}Br_{1-x} alloys recently appeared using density-functional perturbation theory and 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 the estimation of the 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 the Gibbs energy for the formation and/or migration of defects in solids with bulk properties.