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Crystal growth and structural analysis of perovskite chalcogenide BaZrS3 and Ruddlesden–Popper phase Ba3Zr2S7

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Abstract

Perovskite chalcogenides are gaining substantial interest as an emerging class of semiconductors for optoelectronic applications. High-quality samples are of vital importance to examine their inherent physical properties. We report the successful crystal growth of the model system, BaZrS3 and its Ruddlesden–Popper phase Ba3Zr2S7 by a flux method. X-ray diffraction analyses showed the space group of Pnma with lattice constants of a = 7.056(3) Å, b = 9.962(4) Å, and c = 6.996(3) Å for BaZrS3 and P42/mnm with a = 7.071(2) Å, b = 7.071(2) Å, and c = 25.418(5) Å for Ba3Zr2S7. Rocking curves with full width at half maximum of 0.011° for BaZrS3 and 0.027° for Ba3Zr2S7 were observed. Pole figure analysis, scanning transmission electron microscopy images, and electron diffraction patterns also establish the high quality of the grown crystals. The octahedral tilting in the corner-sharing octahedral network is analyzed by extracting the torsion angles.

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Acknowledgments

J.R., S.N., and B.Z. acknowledge the Air Force Office of Scientific Research under award number FA9550-16-1-0335 and Army Research Office under award number W911NF-19-1-0137. S.N. acknowledges the Link Foundation Energy Fellowship. R.J. and K.Y. acknowledge support from the National Science Foundation under contract No. 1751736, “CAREER: Fundamentals of Complex Chalcogenide Electronic Materials”. M.E.M. and E.B. acknowledge support by the Air Force Office of Scientific Research under award number FA9550-15RXCOR198. E.B. acknowledges the National Science Foundation Graduate Research Fellowship under grant No. DGE-1450681. The authors gratefully acknowledge the use of facilities at the Core Center of Excellence in Nano Imaging at University of Southern California and the use of facilities and instrumentation supported by NSF through the Massachusetts Institute of Technology Materials Research Science and Engineering Center DMR-1419807.

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Authors and Affiliations

  1. Mork Family Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California, 90089, USA

    Shanyuan Niu, Boyang Zhao, Jieyang Zhou & Jayakanth Ravichandran

  2. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, 02139, USA

    Kevin Ye & Rafael Jaramillo

  3. Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson AFB, Dayton, Ohio, 45433, USA

    Elisabeth Bianco & Michael E. McConney

  4. Materials Research Laboratory, Massachusetts Institute of Technology, Cambridge, Massachusetts, 02139, USA

    Charles Settens

  5. Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California, Los Angeles, California, 90089, USA

    Ralf Haiges

  6. Ming Hsieh Department of Electrical Engineering, University of Southern California, Los Angeles, California, 90089, USA

    Jayakanth Ravichandran

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  1. Shanyuan Niu
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Correspondence to Jayakanth Ravichandran.

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Niu, S., Zhao, B., Ye, K. et al. Crystal growth and structural analysis of perovskite chalcogenide BaZrS3 and Ruddlesden–Popper phase Ba3Zr2S7. Journal of Materials Research 34, 3819–3826 (2019). https://doi.org/10.1557/jmr.2019.348

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