Quantitative analysis of lattice disorder and crystallite size in organic semiconductor thin films

Jonathan Rivnay*, Rodrigo Noriega, R. Joseph Kline, Alberto Salleo, Michael F. Toney

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

190 Scopus citations


The crystallite size and cumulative lattice disorder of three prototypical, high-performing organic semiconducting materials are investigated using a Fourier-transform peak shape analysis routine based on the method of Warren and Averbach (WA). A thorough incorporation of error propagation throughout the multistep analysis and a weighted fitting of Fourier-transformed data to the WA model allows for more accurate results than typically obtained and for determination of confidence bounds. We compare results obtained when assuming two types of column-length distributions, and discuss the benefits of each model in terms of simplicity and accuracy. For strongly disordered materials, the determination of a crystallite size is greatly hindered because disorder dominates the coherence length, not finite size. A simple analysis based on trends of peak widths and Lorentzian components of pseudo-Voigt line shapes as a function of diffraction order is also discussed as an approach to more easily and qualitatively assess the amount and type of disorder present in a sample. While applied directly to organic systems, this methodology is general for the accurate deconvolution of crystalline size and lattice disorder for any material investigated with diffraction techniques.

Original languageEnglish (US)
Article number045203
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number4
StatePublished - Jul 7 2011

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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