A simple model for calculating the bulk modulus of the mixed ionic crystal: NH4Cl1−xBr$_x$
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The ammonium halides are an interesting systems because of their polymorphism and the possible internal rotation of the ammonium ion. The static properties of the mixed ionic crystal NH4Cl$_{1−x}$ Br$_x$ have been recently investigated, using the three-body potential model (TDPM) by applying Vegard’s law. Here, by using a simple theoretical model, we estimate the bulk modulus of the alloys NH4Cl$_{1−x}$ Br$_x$, in terms of the bulk modulus of the end members alone. The calculated values are comparable to those deduced from the three-body potential model (TDPM) by applying Vegard’s law.
Vassiliki Katsika-Tsigourakou1
Volume 96, 2022
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