Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami

doi:10.1063/1.4952939

Cited by 4 publications

(1 citation statement)

References 14 publications

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“…Thus, the fluorescence induced by Cu source may explain the refinement differences. Contrary to theory and what is usually observed in the literature for CoFe2O4, [5][6][7][8] Biso(O) have a smaller amplitude than Biso(Fe/Co), probably due to vacancies on the Oh and Td sites. As stated in Part 1b), the occupancies from PXRD data are strongly correlated with the ADP.…”

Section: Part 3) Effect Of Different Synthesis Approachescontrasting

confidence: 98%

In-depth investigations of size and occupancies in cobalt ferrite nanoparticles by joint Rietveld refinements of X-ray and neutron powder diffraction data

Henry¹,

Ahlburg²,

Andersen³

et al. 2022

J Appl Cryst

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Powder X-ray diffraction (PXRD) and neutron powder diffraction (NPD) have been used to investigate the crystal structure of CoFe2O4 nanoparticles prepared via different hydrothermal synthesis routes, with particular attention given to accurately determining the spinel inversion degrees. The study is divided into four parts. In the first part, the investigations focus on the influence of using different diffraction pattern combinations (NPD, Cu-source PXRD and Co-source PXRD) for the structural modelling. It is found that combining PXRD data from a Co source with NPD data offers a robust structural model. The second part of the study evaluates the reproducibility of the employed multipattern Rietveld refinement procedure using different data sets collected on the same sample, as well as on equivalently prepared samples. The refinement procedure gives reproducible results and reveals that the synthesis method is likewise reproducible since only minor differences are noted between the samples. The third part focuses on the structural consequences of (i) the employed heating rate (achieved using three different hydrothermal reactor types) and (ii) changing the cobalt salt in the precursors [aqueous salt solutions of Co(CH3COOH)2, Co(NO3)2 and CoCl2] in the synthesis. It is found that increasing the heating rate causes a change in the crystal structure (unit cell and crystallite sizes) while the Co/Fe occupancy and magnetic parameters remain similar in all cases. Also, changing the type of cobalt salt does not alter the final crystal/magnetic structure of the CoFe2O4 nanoparticles. The last part of this study is a consideration of the chemicals and parameters used in the synthesis of the different samples. All the presented samples exhibit a similar crystal and magnetic structure, with only minor deviations. It is also evident that the refinement method used played a key role in the description of the sample.

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Section: Part 3) Effect Of Different Synthesis Approachescontrasting

confidence: 98%

In-depth investigations of size and occupancies in cobalt ferrite nanoparticles by joint Rietveld refinements of X-ray and neutron powder diffraction data

Henry¹,

Ahlburg²,

Andersen³

et al. 2022

J Appl Cryst

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A trial for distinguish of Mn3+ and Mn4+ ions in LiMn2O4 by anomalous powder x-ray diffraction with focused beam flat sample method

Tanaka¹,

Yubuta²,

Katsuya³

et al. 2019

AIP Conference Proceedings

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Optical and structural investigations on titanium oxynitride films for visible-UV photocatalytic applications

Mizushiro

Yoshimatsu

Ohashi

et al. 2020

Journal of Applied Physics

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We report on the epitaxial growth of titanium oxynitride (TiOxNy) films on α-Al2O3 (0001) substrates by using a pulsed-laser deposition technique and their optical properties. Using TiN as a solid source, N content (y) in the films was tuned by changing the partial pressure of O2 gas. The crystalline phase was found to evolve up to y ≈ 0.4 either from rock-salt type or from rutile-type structures. The optical absorption spectra of the films had two distinct components in regions of 0.44–2.4 eV and 2.4–6 eV, which arise from d–d and charge-transfer transitions, respectively. The former transition decreased with decreasing y and vanished at y ≈ 0.26, where a fundamental absorption edge due to the latter transition was found to be 2.4 eV. The results demonstrate a range of anion compositions in the TiOxNy being suitable for visible-light harvesting applications.

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Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

Cited by 4 publications

References 14 publications

In-depth investigations of size and occupancies in cobalt ferrite nanoparticles by joint Rietveld refinements of X-ray and neutron powder diffraction data

In-depth investigations of size and occupancies in cobalt ferrite nanoparticles by joint Rietveld refinements of X-ray and neutron powder diffraction data

A trial for distinguish of Mn3+ and Mn4+ ions in LiMn2O4 by anomalous powder x-ray diffraction with focused beam flat sample method

Optical and structural investigations on titanium oxynitride films for visible-UV photocatalytic applications

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