A tentative model for estimating the compressibility of rock-salt AgCl xBr1-x alloys
| Autor: | Katsika-Tsigourakou, V. Skordas, E.S. |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2013 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|