Kesterite Thin‐Film Solar Cells: Advances in Materials Modelling of Cu 2 ZnSnS 4

Abstract Quaternary semiconducting materials based on the kesterite (A 2 BCX 4 ) mineral structure are the most promising candidates to overtake the current generation of light‐absorbing materials for thin‐film solar cells. Cu 2 ZnSnS 4 (CZTS), Cu 2 ZnSnSe 4 (CZTSe) and their alloy Cu 2 ZnSn(Se,S) 4 consist of abundant, low‐cost and non‐toxic elements, unlike current CdTe and Cu(In,Ga)Se 2 based technologies. Zinc‐blende related structures are formed by quaternary compounds, but the complexity associated with the multi‐component system introduces difficulties in material growth, characterization, and application. First‐principles electronic structure simulations, performed over the past five years, that…