Entropic Stabilization and Retrograde Solubility in Zn4Sb3
Gregory S. Pomrehn, Eric S. Toberer, G. Jeffrey Snyder, Axel van de, Walle
TL;DR
This paper investigates the stability and solubility behavior of Zn4Sb3, revealing entropic stabilization mechanisms and complex temperature-dependent solubility patterns that explain nanoparticle formation phenomena.
Contribution
It introduces a theoretical analysis of entropic stabilization and retrograde solubility in Zn4Sb3, providing insights into phase stability and nanoparticle formation.
Findings
Zn4Sb3 is entropically stabilized against decomposition.
Retrograde solubility of Zn occurs at the phase boundary.
Complex temperature-dependent solubility explains nanoparticle formation.
Abstract
Zn4Sb3 is shown to be entropically stabilized versus decomposition to Zn and ZnSb though the effects of configurational disorder and phonon free energy. Single phase stability is predicted for a range of compositions and temperatures. Retrograde solubility of Zn is predicted on the two-phase boundary region between Zn4Sb3 and Zn. The complex temperature dependent solubility can be used to explain the variety of nanoparticle formation observed in the system: formation of ZnSb on the Sb rich side, Zn on the far Zn rich side and nano-void formation due to Zn precipitates being reabsorbed at lower temperatures.
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