High-Pressure Behavior of Kesterite-Type Photovoltaic Materials

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In this proposal we will investigate the high-pressure behavior of several kesterite-type materials, potential next-generation photovoltaics. Our studies involve the synthesis of novel kesterite compositions based on the archetype Cu2ZnSnS4. Next we will combine diamond anvil cell experiments with optical spectroscopy and synchrotron-based x-ray diffraction as a means of elucidating the high-pressure vibrational, electronic, and structural behavior of these compounds. The experimental results will be complemented by DFT calculations.In short, the detailed recording and understanding of the pressure-induced effects in these materials is expected to provide insights for both the optimization of the electronic properties under appropriate stress conditions by structural modulation, as well as the synthesis of quenchable high-pressure modifications with different physical and chemical properties compared to the starting materials. All in all, we believe that our results will be beneficial both from a fundamental material science perspective, since our main motivation can be summarized as (a) the complete characterization of the high-pressure response of the proposed compounds and (b) the stabilization of new Cu2ZnSnS4-based structures with distinct physical and chemical properties, as well as from the solar cell community, since we will provide vital insights for 'tailoring' the properties of similar chalcogenides for enhancing the respective electronic and, hence, their photovoltaic performance.