A method for a column-by-column EELS quantification of barium lanthanum ferrate

Judith Lammer, Christian Berger, Stefan Löffler, Daniel Knez, Paolo Longo, Gerald Kothleitner, Ferdinand Hofer, Georg Haberfehlner, Edith Bucher, Werner Sitte, Werner Grogger

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High-resolution STEM-EELS provides information about the composition of crystalline materials at the atomic scale, though a reliable quantitative chemical analysis is often hampered by zone axis conditions, where neighbouring atomic column intensities contribute to the signal at the probe position. In this work, we present a procedure to determine the concentration of two elements within equivalent atomic columns from EELS elemental maps – in our case barium and lanthanum within the A-sites of Ba 1.1La 1.9Fe 2O 7, a second order Ruddlesden-Popper phase. We took advantage of the large changes in the elemental distribution from column to column and introduced a technique, which substitutes inelastic scattering cross sections during the quantification step by using parameters obtained from the actual experiment. We considered channelling / de-channelling effects via inelastic multislice simulations and were thereby able to count occupancies in each atomic column. The EELS quantification results were then used as prior information during the Rietveld refinement in XRD measurements in order to differentiate between barium and lanthanum.

Original languageEnglish
Article number113477
Number of pages9
Issue numberApril
Early online date26 Jan 2022
Publication statusPublished - Apr 2022

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