Thermodynamic remodeling of the Co–Ga system
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The thermodynamic properties and phase relations of the Co-Ga binary system are remodeled based on the CALPHAD approach. In this work, Co-Ga(β) is considered to be non-stoichiometric and Co-Ga3 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 Co-Ga3 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. © 2010 Elsevier Ltd. All rights reserved.
author list (cited authors)
Chari, A., Garay, A., & Arróyave, R.