Chemical instability at chalcogenide surfaces impacts chalcopyrite devices well beyond the surface

Diego Colombara (), Hossam Elanzeery (), Nicoleta Nicoara, Deepanjan Sharma, Marcel Claro, Torsten Schwarz, Anna Koprek, Max Hilaire Wolter, Michele Melchiorre, Mohit Sood, Nathalie Valle, Oleksandr Bondarchuk, Finn Babbe, Conrad Spindler, Oana Cojocaru-Miredin, Dierk Raabe, Phillip J. Dale, Sascha Sadewasser and Susanne Siebentritt
Additional contact information
Diego Colombara: University of Luxembourg
Hossam Elanzeery: University of Luxembourg
Nicoleta Nicoara: International Iberian Nanotechnology Laboratory
Deepanjan Sharma: International Iberian Nanotechnology Laboratory
Marcel Claro: International Iberian Nanotechnology Laboratory
Torsten Schwarz: Max-Planck-Institut für Eisenforschung GmbH
Anna Koprek: Max-Planck-Institut für Eisenforschung GmbH
Max Hilaire Wolter: University of Luxembourg
Michele Melchiorre: University of Luxembourg
Mohit Sood: University of Luxembourg
Nathalie Valle: Luxembourg Institute of Science and Technology
Oleksandr Bondarchuk: International Iberian Nanotechnology Laboratory
Finn Babbe: University of Luxembourg
Conrad Spindler: University of Luxembourg
Oana Cojocaru-Miredin: Max-Planck-Institut für Eisenforschung GmbH
Dierk Raabe: Max-Planck-Institut für Eisenforschung GmbH
Phillip J. Dale: University of Luxembourg
Sascha Sadewasser: International Iberian Nanotechnology Laboratory
Susanne Siebentritt: University of Luxembourg

Nature Communications, 2020, vol. 11, issue 1, 1-14

Abstract: Abstract The electrical and optoelectronic properties of materials are determined by the chemical potentials of their constituents. The relative density of point defects is thus controlled, allowing to craft microstructure, trap densities and doping levels. Here, we show that the chemical potentials of chalcogenide materials near the edge of their existence region are not only determined during growth but also at room temperature by post-processing. In particular, we study the generation of anion vacancies, which are critical defects in chalcogenide semiconductors and topological insulators. The example of CuInSe2 photovoltaic semiconductor reveals that single phase material crosses the phase boundary and forms surface secondary phases upon oxidation, thereby creating anion vacancies. The arising metastable point defect population explains a common root cause of performance losses. This study shows how selective defect annihilation is attained with tailored chemical treatments that mitigate anion vacancy formation and improve the performance of CuInSe2 solar cells.

Date: 2020
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DOI: 10.1038/s41467-020-17434-8

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