TY - JOUR

T1 - A method for a column-by-column EELS quantification of barium lanthanum ferrate

AU - Lammer, Judith

AU - Berger, Christian

AU - Löffler, Stefan

AU - Knez, Daniel

AU - Longo, Paolo

AU - Kothleitner, Gerald

AU - Hofer, Ferdinand

AU - Haberfehlner, Georg

AU - Bucher, Edith

AU - Sitte, Werner

AU - Grogger, Werner

N1 - Publisher Copyright: © 2022 The Authors

PY - 2022/4

Y1 - 2022/4

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85123851928&partnerID=8YFLogxK

U2 - 10.1016/j.ultramic.2022.113477

DO - 10.1016/j.ultramic.2022.113477

M3 - Article

VL - 234.2022

JO - Ultramicroscopy

JF - Ultramicroscopy

SN - 0304-3991

IS - April

M1 - 113477

ER -