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High-pressure behavior of disodered kesterite-type Cu2ZnSnS4

Authors
/persons/resource/iliefthi

Efthimiopoulos,  I.
3.6 Chemistry and Physics of Earth Materials, 3.0 Geochemistry, Departments, GFZ Publication Database, Deutsches GeoForschungsZentrum;

Küllmey,  Tim
External Organizations;

/persons/resource/speziale

Speziale,  S.
3.6 Chemistry and Physics of Earth Materials, 3.0 Geochemistry, Departments, GFZ Publication Database, Deutsches GeoForschungsZentrum;

Pakhomova,  Anna S.
External Organizations;

Quennet,  Marcel
External Organizations;

Paulus,  Beate
External Organizations;

Ritscher,  Anna
External Organizations;

Lerch,  Martin
External Organizations;

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5007285.pdf
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Citation

Efthimiopoulos, I., Küllmey, T., Speziale, S., Pakhomova, A. S., Quennet, M., Paulus, B., Ritscher, A., Lerch, M. (2021): High-pressure behavior of disodered kesterite-type Cu2ZnSnS4. - Applied Physics A - Material Science & Processing, 127, 616.
https://doi.org/10.1007/s00339-021-04745-w


Cite as: https://gfzpublic.gfz-potsdam.de/pubman/item/item_5007285
Abstract
We have investigated the high-pressure structural and vibrational behavior of the disordered kesterite-type Cu2ZnSnS4 compound at ambient temperature. Our experimental and theoretical investigations have revealed a clear structural transition to a GeSb-type phase close to 15 GPa, a tetragonally distorted variant of the NaCl-type phase. The latter transformation is accompanied by a cationic coordination increase from fourfold to sixfold with respect to the sulfur anions. In addition, a change in the compressibility rate was detected at about 8 GPa within the pressure stability range of the disordered kesterite-type phase. Upon decompression, a disordered zinc blende/sphalerite structure is recovered. We discuss our findings in close conjunction with our recent high-pressure work on the ordered Cu2ZnSnS4 modification.