Zn4Sb3 is shown to be entropically stabilized versus decomposition to Zn and ZnSb through 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.
|Original language||English (US)|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Mar 4 2011|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics