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Bulk compounds, prepared via the ceramic route, related to Cu2ZnSnSe4 (CZTSe), a material considered for use in photovoltaic devices, were investigated using NMR spectroscopy, electron-probe microanalyses and X-ray diffraction. These materials adopt the kesterite structure regardless of the Cu and Zn contents. It is also shown that the stability domain of the copper-poor quaternary phases is wider for selenide derivatives than for sulphides. Finally, the Cu/Zn disorder level in CZTSe is found to be higher when the samples are quenched, which is reminiscent of the behaviour of the parent sulphide compounds CZTS.

For the very first time, (67)Zn, (119)Sn and (65)Cu NMR investigations have been carried out on Cu2ZnSnS4 derivatives (CZTS) for photovoltaic applications. NMR spectroscopy is shown to be sensitive enough to probe the Cu/Zn disorder within the kesterite structure of the studied compounds. In addition, reference spectra of Cu2ZnSnS4 are provided, and experimental (67)Zn and (65)Cu parameters are compared with ab initio calculations.