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Pistor P, Merino Álvarez JM, León M, et al. Structure reinvestigation of α-, β- and γ-In2S3. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016;72:410-5doi: 10.1107/S2052520616007058.
Pistor, P., Merino Álvarez, J. M., León, M., di Michiel, M., Schorr, S., Klenk, R., & Lehmann, S. (2016). Structure reinvestigation of α-, β- and γ-In2S3. Acta crystallographica Section B, Structural science, crystal engineering and materials, 72410-5. https://doi.org/10.1107/S2052520616007058
Pistor, Paul, et al. "Structure reinvestigation of α-, β- and γ-In2S3." Acta crystallographica Section B, Structural science, crystal engineering and materials vol. 72 (2016): 410-5. doi: https://doi.org/10.1107/S2052520616007058
Pistor P, Merino Álvarez JM, León M, di Michiel M, Schorr S, Klenk R, Lehmann S. Structure reinvestigation of α-, β- and γ-In2S3. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Jun 01;72:410-5. doi: 10.1107/S2052520616007058. Epub 2016 May 26. PMID: 27240773; PMCID: PMC4886618.
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Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Jun 01;72:410-5. doi: 10.1107/S2052520616007058. Epub 2016 May 26.

Structure reinvestigation of α-, β- and γ-In2S3.

Acta crystallographica Section B, Structural science, crystal engineering and materials

Paul Pistor, Jose M Merino Álvarez, Máximo León, Marco di Michiel, Susan Schorr, Reiner Klenk, Sebastian Lehmann

Affiliations

  1. Helmholtz-Zentrum Berlin, Germany.
  2. Applied Physics Department, Universidad Autónoma de Madrid, Spain.
  3. ESRF - The European Synchrotron, Grenoble, France.
  4. Solid State Physics, Lund University, Sweden.

PMID: 27240773 PMCID: PMC4886618 DOI: 10.1107/S2052520616007058

Abstract

Semiconducting indium sulfide (In2S3) has recently attracted considerable attention as a buffer material in the field of thin film photovoltaics. Compared with this growing interest, however, detailed characterizations of the crystal structure of this material are rather scarce and controversial. In order to close this gap, we have carried out a reinvestigation of the crystal structure of this material with an in situ X-ray diffraction study as a function of temperature using monochromatic synchrotron radiation. For the purpose of this study, high quality polycrystalline In2S3 material with nominally stoichiometric composition was synthesized at high temperatures. We found three modifications of In2S3 in the temperature range between 300 and 1300 K, with structural phase transitions at temperatures of 717 K and above 1049 K. By Rietveld refinement we extracted the crystal structure data and the temperature coefficients of the lattice constants for all three phases, including a high-temperature trigonal γ-In2S3 modification.

Keywords: In2S3; Rietveld refinement; crystal structure analysis; cubic; high temperature; indium sulfide; lattice parameter; tetragonal; thermal expansion coefficient; trigonal

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