Thermodynamic assessment of the As–Zn and As–Ga–Zn systems

• The first thermodynamic assessment of the As–Zn and As–Ga–Zn systems are presented.
• The As–Zn binary phase diagram is calculated and compared to the literature data.
• The calculated liquidus surfaces of the As–Ga–Zn ternary are compared to the experimental data.
• Three vertical sections, GaAs–Zn, GaAs–As2Zn3 and GaAs–As2Zn, are studied.
• Good agreement between the calculations and experimental results was obtained.

We have performed a thermodynamic assessment of the As–Zn and As–Ga–Zn systems. The systems are assessed based on the CALPHAD method and using available first principles and experimental data. Using the optimized set of parameters found in this work, the calculated As–Zn binary phase diagram, isoplethal sections and the monovariants lines of the As–Ga–Zn ternary system are presented. The comparison of the calculated diagrams with the experimental and first principles data shows good agreement.