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Structure reinvestigation of α-, β- And γ-In2S3

Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; Di Michiel, Marco; Schorr, Susan; Klenk, Reiner and Lehmann, Sebastian LU (2016) In Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials 72. p.410-415
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... (More)

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.

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organization
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type
Contribution to journal
publication status
published
subject
keywords
crystal structure analysis, cubic, high temperature, InS, indium sulfide, lattice parameter, Rietveld refinement, tetragonal, thermal expansion coefficient, trigonal
in
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials
volume
72
pages
6 pages
publisher
Wiley-Blackwell
external identifiers
  • scopus:84971644092
  • wos:000377607300014
ISSN
2052-5192
DOI
10.1107/S2052520616007058
language
English
LU publication?
yes
id
c983c122-5954-4088-a5ba-4b9809c6b119
date added to LUP
2017-02-07 12:30:07
date last changed
2017-09-18 11:37:23
@article{c983c122-5954-4088-a5ba-4b9809c6b119,
  abstract     = {<p>Semiconducting indium sulfide (In<sub>2</sub>S<sub>3</sub>) 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 In<sub>2</sub>S<sub>3</sub> material with nominally stoichiometric composition was synthesized at high temperatures. We found three modifications of In<sub>2</sub>S<sub>3</sub> 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-In<sub>2</sub>S<sub>3</sub> modification.</p>},
  author       = {Pistor, Paul and Merino Álvarez, Jose M. and León, Máximo and Di Michiel, Marco and Schorr, Susan and Klenk, Reiner and Lehmann, Sebastian},
  issn         = {2052-5192},
  keyword      = {crystal structure analysis,cubic,high temperature,InS,indium sulfide,lattice parameter,Rietveld refinement,tetragonal,thermal expansion coefficient,trigonal},
  language     = {eng},
  pages        = {410--415},
  publisher    = {Wiley-Blackwell},
  series       = {	Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials },
  title        = {Structure reinvestigation of α-, β- And γ-In<sub>2</sub>S<sub>3</sub>},
  url          = {http://dx.doi.org/10.1107/S2052520616007058},
  volume       = {72},
  year         = {2016},
}