Project I – Growth of Single Crystal Transition Metal Perovskite Chalcogenides

In recent years semiconducting organic-inorganic lead halide perovskite materials have gained much interest due to their outstanding optoelectronic properties for use in solar cells and lighting applications. A major drawback of these materials is related to their toxicity and chemical instability. Recently, purely inorganic transition metal perovskite chalcogenides (TMPC) have been synthesized that exhibit promising optoelectronic properties as well and may even allow opto- electrochemical application like water splitting. Compared to their perovskite oxide counterparts of type ABO₃ (A = alkali, alkaline, or rare earth metal, B = transition metal) with a large electronic bandgap (E_G > 3eV), many perovskite chalcogenides exhibit an electronic bandgap in visible light spectrum that is related to the replacement of O by S or Se in the crystal lattice and which may enable a broad spectrum of applications. This project aims to grow single crystals of SrZrS₃, BaZrS₃, and related transition metal perovskite chalcogenides. This includes: (i) the investigation of the thermodynamic properties related to the phase diagram of the materials as well as chemical reaction kinetics (including the intermediate phases) that is present during materials synthesis; (ii) the application of this knowledge to determine / elaborate the processing routes that include hetero-epitaxial layers on pre-structured semiconductor wafers; and (iii) the investigation of the fundamental physical properties as well as the typical materials defects of the newly formed materials.

Projects

Participating Scientists

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Publications

• Sytnyk M., Yousefi-Amin AA., Freund T., Prihoda A., Götz K., Unruh T., Harreiß C., Will J., Spiecker E., Levchuk J., Osvet A., Brabec C., Künecke U., Wellmann P., Volobuev VV., Korczak J., Szczerbakow A., Story T., Simbrunner C., Springholz G., Wechsler D., Lytken O., Lotter S., Kampmann F., Maultzsch J., Singh K., Voznyy O., Heiß W.:
  Epitaxial Metal Halide Perovskites by Inkjet-Printing on Various Substrates
  In: Advanced Functional Materials 30 (2020), Art.Nr.: ARTN 2004612
  ISSN: 1616-301X
  DOI: 10.1002/adfm.202004612
• Hayashi K., Lederer M., Fukumoto Y., Goto M., Yamamoto Y., Happo N., Harada M., Inamura Y., Oikawa K., Ohoyama K., Wellmann P.:
  Determination of site occupancy of boron in 6H-SiC by multiple-wavelength neutron holography
  In: Applied Physics Letters 120 (2022), Art.Nr.: 132101
  ISSN: 0003-6951
  DOI: 10.1063/5.0080895
• Freund T., Cicconi MR., Wellmann P.:
  Fabrication of Bariumtrisulphide Thin Films as Precursors for Chalcogenide Perovskites
  In: physica status solidi (b) (2022)
  ISSN: 0370-1972
  DOI: 10.1002/pssb.202200094
• Jamshaid S., Cicconi MR., Heiß W., Webber KG., Wellmann P.:
  Synthesis and Characterization of BaZrS3 Thin Films via Stacked Layer Methodology: A Comparative Study of BaZrS3 on Zirconium Foil and Silicon Carbide Substrates
  In: Advanced Engineering Materials (2024)
  ISSN: 1438-1656
  DOI: 10.1002/adem.202302161
• Freund T., Jamshaid S., Monavvar M., Wellmann P.:
  Synthesis of BaZrS3 and BaS3 Thin Films: High and Low Temperature Approaches
  In: Crystals 14 (2024), Art.Nr.: 267
  ISSN: 2073-4352
  DOI: 10.3390/cryst14030267