Regensburg 2016 – wissenschaftliches Programm
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DF: Fachverband Dielektrische Festkörper
DF 4: Photovoltaics (HL with DF)
DF 4.8: Vortrag
Montag, 7. März 2016, 17:15–17:30, H2
Stable single-phase Zn-rich Cu2ZnSnSe4 through In doping — Stefan Hartnauer1, •Sabine Körbel2,3, Miguel A L Marques1,3, Silvana Botti2,3, and Roland Scheer1 — 1Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, D-06099 Halle, Germany — 2Institut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, 07743 Jena, Germany — 3Institut Lumière Matière, UMR5306 Université Lyon 1-CNRS, F-69622 Villeurbanne Cedex, France
Alloying in the system Cu2ZnSnSe4–CuInSe2–ZnSe (CZTISe) is investigated experimentally and with ab initio calculations. The goal is to distinguish stable (single-phase) and unstable (multi-phase) regions within the pseudo-ternary phase diagram. Thin CZTISe films are prepared by co-evaporation of the chemical elements and are investigated in real-time during growth using in-situ angle dispersive X-ray diffraction (XRD). Ab initio calculations with density-functional theory are performed to determine the thermodynamic stability of the alloy with respect to the formation of secondary phases. Both in experiment and calculation, we find a surprisingly large single-phase region in the phase diagram for Zn-rich Cu2ZnSnSe4 if a small amount of In is present, from which we conclude that In doping may help avoiding secondary phase formation under Zn- rich conditions and open up new possibilities for the application of CZTISe thin films in solar cells.