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Berlin 2024 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 42: Perovskite and Photovoltaics II (joint session HL/KFM)

HL 42.2: Talk

Thursday, March 21, 2024, 09:45–10:00, EW 203

Crystallization and defect properties in combinatorially synthesized BaZrS3 thin films — •Adriana Röttger1, Jack Van Sambeek2, Marin Rusu1, Hannes Hempel1, Rafael Jaramillo2, and Thomas Unold11Helmholtz-Zentrum Berlin, Deutschland — 2Massachusetts Institute of Technology, Cambridge, MA, USA

BaZrS3 is a chalcogenide perovskite composed of Earth-abundant elements with potential applications for photovoltaic (PV) energy conversion. Using pulsed laser deposition, oxide precursors with a lateral [Ba]/[Zr] ratio, ranging from 0.8 to 1.3, were deposited on 50 x 12 mm2 large samples, which were then sulfurized in a tube furnace using different concentrations of H2S in Ar gas at temperatures ranging from 800C to 1000C. The combinatorial nature of the thin films allows the study of crystallization behavior dependent on the composition of the material. A considerable increase in crystallite size was observed from the Zr-rich side to the Ba-rich side of all samples using grazing incidence x-ray diffraction and scanning electron microscopy. We hypothesize that Ba excess leads to liquid phase assisted growth, similar to a low temperature growth mechanism reported recently by Yang et al.[1] We demonstrate control over the kinetics of crystallization by varying temperature and/or H2S partial pressure. We find that band-edge photoluminescence (PL) increases from the Ba-rich to the Zr-rich side, while defect state PL probed at low temperatures show a reverse trend. This suggests that careful control of the metals ratio will be key to achieving thin films with large crystals and good PV performance. [1] Yang et al., Chemistry of Materials 2023 35 (12), 4743-4750

Keywords: chalkogenides; perovskites; combinatorial

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