Research output: Contribution to journal › Article › peer-review
Simulation of diffraction patterns for Ruddlesden–Popper (RP) tetragonal structures with RP faults. / Горкуша, Александр Сергеевич; Черепанова, Светлана Витальевна; Цыбуля, Сергей Васильевич.
In: Journal of Applied Crystallography, Vol. 57, 01.10.2024, p. 1578-1587.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Simulation of diffraction patterns for Ruddlesden–Popper (RP) tetragonal structures with RP faults
AU - Горкуша, Александр Сергеевич
AU - Черепанова, Светлана Витальевна
AU - Цыбуля, Сергей Васильевич
N1 - This work was supported by the Ministry of Science and Higher Education of the Russian Federation (agreement No. 075-15-2022-263).
PY - 2024/10/1
Y1 - 2024/10/1
N2 - A theoretical analysis of diffraction patterns was performed for two representatives of layered perovskite-type tetragonal phases of the Ruddlesden–Popper series (RP) with the general formula An+1BnO3n+1 (n = 1, 2), which contain RP faults (layer alternation defects) in a wide range of concentrations. The results of theoretical calculations can be used in the future for correct interpretation of X-ray powder diffraction experimental data and for quantitative estimation of the deviation from stoichiometry and structural perfection of this type of compound.
AB - A theoretical analysis of diffraction patterns was performed for two representatives of layered perovskite-type tetragonal phases of the Ruddlesden–Popper series (RP) with the general formula An+1BnO3n+1 (n = 1, 2), which contain RP faults (layer alternation defects) in a wide range of concentrations. The results of theoretical calculations can be used in the future for correct interpretation of X-ray powder diffraction experimental data and for quantitative estimation of the deviation from stoichiometry and structural perfection of this type of compound.
UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85206945741&origin=inward&txGid=e912e19d69f10f21c9c8b96914e6ca52
U2 - 10.1107/S1600576724008203
DO - 10.1107/S1600576724008203
M3 - Article
VL - 57
SP - 1578
EP - 1587
JO - Journal of Applied Crystallography
JF - Journal of Applied Crystallography
SN - 0021-8898
ER -
ID: 60477408