Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems

Te-based alloys are widely used for Phase Change Random Access Memory (PCRAM). The investigation of the Te-based phase diagram gives significant benefit to the development of Te-based PCRAM materials. Thermodynamic modelling of the Te-X (X = Cu, Ga, Li, Sr) systems has been carried out using the CALculation of PHAse Diagrams (CALPHAD) method based on the enthalpies of formation calculated by first-principles calculations in the present work and available experimental data in the literature. In the Te-Cu, Te-Ga and Te-Li systems, the liquid phases were separately described by the associated solution model with Cu 2 Te, Ga 2 Te 3 and Li 2 Te associate species. A set of self-consistent thermodynamic parameters for the Te-X (X = Cu, Ga, Li, Sr) systems was obtained. Comparison between the calculated results and available experimental data indicates that most experimental information can be satisfactorily accounted for by modelling.