Equilibrium phases diagram including all known phases

Kesterites are complex materials that are commonly synthesized under non-stoichiometric and out-of-equilibrium conditions, implying that secondary phases are prone to occur. In this deliverable and using Density Functional Theory (termed “ab initio thermodynamics” in the research community), and the corresponding database of Gibbs free energies, the phase stability of kesterites as a function of temperature and partial pressures will be compared with additional competing solid phases (e.g. Cu-Sn and Cu-Zn ternary phases) and gases (oxygen, hydrogen and water), to provide quantitative insights into phase stability and separation, as well as optimal processing windows. ICL will contribute to this deliverable.