Chemical models to map the transformation from precursors to semiconductor materials at non-equilibrium conditions†

This work proposes the construction of chemical models based on the Gibbs composition triangle, which provides support for the proper interpretation of semiconductor synthesis under non-equilibrium processing, considering the pertinent variables of the system. It demonstrates how chemical models are constructed using experimental findings and theoretical insights and by incorporating data available in the literature. Then, an illustrative example is used to validate the construction, interpretation and application of a chemical model for obtaining PbTe via non-equilibrium process. This approach can be directly applied to forecast the formation of IV–VI and II–VI binary semiconductors, as well as the formation of ternary semiconductor solid solutions. However, it is exemplified—in this work—via the mechanochemical synthesis of PbTe. This work aims to construct a chemical model that maps the transformation from precursors to semiconductor material through the high-energy milling process.