Thermodynamic remodeling of the Co–Ga system

Abstract The thermodynamic properties and phase relations of the Co–Ga binary system are remodeled based on the CALPHAD approach. In this work, CoGa( β ) is considered to be non-stoichiometric and CoGa3 to be stoichiometric. The β phase is thermodynamically described by a two-sublattice model (Co,Ga)0.5 (Co,V a)0.5. The stability of the β phase is restricted in the low-temperature regions by giving necessary driving force constraints. The lattice parameters and enthalpy of formation of the β and CoGa3 phases have been compared with first-principles calculations based on density functional theory. The calculated Co–Ga phase diagram is compared to previously calculated ones.