LAUSR

We have investigated the high-pressure structural and vibrational behavior of the ordered kesterite-type Cu2ZnSnS4 compound. Our investigations have revealed two structural transitions: a kesterite-to-disordered kesterite transition was observed between 7 and 9 GPa, which involves a Zn/Cu disorder within the respective cationic sublattice, whereas a rocksalt-type structure was realized at ∼15 GPa. The latter transition is accompanied by a cationic coordination increase from fourfold-to-sixfold with respect to the sulfur anions. The predicted kesterite-to-stannite transition was not detected. Furthermore, our high-pressure Raman studies have shown that the aforementioned Zn/Cu cationic disorder will always be present in Cu2ZnSnS4 under relatively moderate compression.