Thermodynamic assessment of the Sb–S and In–S binary systems

Abstract

The Sb–S and In–S binary systems were assessed thermodynamically using the CALculation of PHase Diagrams (CAL-PHAD) approach based on the experiment data in the literature. Both phase diagrams revealed a congruent melting compound and liquid immiscibility. Therefore, associate species, Sb2S3 and In2S3, were introduced into the associate model to describe the liquid phase during optimization. The binary intermediate compounds, Sb2S3, InS(α, β), and In6S7, were treated as stoichiometric phases. Considering the wide composition range, In2S3(α, β, γ), were modeled using the sublattice model. A set of self-consistent thermodynamic parameters representing most of the reliable thermodynamic properties and phase diagram information were derived.