The Use of the Pseudo-Voigt Function in the Variance Method of X-ray Line-Broadening Analysis

Sánchez-Bajo, F.; Cumbrera, F.L.

doi:10.1107/s0021889896015464

Cited by 146 publications

(70 citation statements)

References 7 publications

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“…X-ray diffraction (XRD) measurements are carried out using CuK α radiation, where the Rietveld method [21,22] is used to determine the phase composition and the lattice parameter of the samples under consideration. The determination of the diffraction domain sizes or crystallite sizes (D) for the powder samples was conducted by line-broadening analysis [23].…”

Section: Methodsmentioning

confidence: 99%

Cation distribution, hyperfine parameters and conduction mechanism in the ferrimagnetic system Cu_0.5Co_0.5Ga_xFe_2–_xO₄

Ata‐Allah

Kaiser

2005

Physica Status Solidi (b)

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Compositions having the chemical formula Cu 0.5 Co 0.5 Ga x Fe 2-x O 4 with (0.0 ≤ x ≤ 0.5) have been prepared by the usual ceramic processing from high-purity oxides. X-ray diffraction measurements are used for analyzing the composition, lattice parameter, density, porosity and grain size of these compounds. The area ratio of Fe 3+ at the tetrahedral A-and octahedral B-sites deduced from the spectral analysis of Möss-bauer measurements on the present spinel system gives evidence that Ga replaces Fe at A-site in the range 0.0 < x ≤ 0.3. As the Ga content increases (x > 0.3), it replaces Fe at B-site. This change in the site preference reflects an abrupt change in the hyperfine parameters with Ga content at x > 0.3. The electrical measurements as a function of temperature and frequency on these materials revealed semiconducting behavior. These results show a significant increase in the frequency dependence of conductivity as Ga content increases. Variation of the universal exponent s with temperature indicates the presence of smallpolaron (SP) hopping mechanism at low Ga content. As Ga substitution progressed, the overlap large polaron (OLP) becomes the predominant hopping mechanism in these compounds. The determined transition temperature T C of these samples is found to decrease linearly with increasing Ga content x. The results obtained in this study are interpreted in light of the cation-cation and cation-anion-cation interactions in the spinel structure.

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Section: Methodsmentioning

confidence: 99%

Cation distribution, hyperfine parameters and conduction mechanism in the ferrimagnetic system Cu_0.5Co_0.5Ga_xFe_2–_xO₄

Ata‐Allah

Kaiser

2005

Physica Status Solidi (b)

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“…26 The terms I 0 , 2h 0 , 2w, and g are the peak intensity, peak position, FWHM, and weight parameter (shape factor), respectively. The last two terms in Eq.…”

Section: Methodsmentioning

confidence: 99%

Strength of polycrystalline niobium from high-pressure x-ray diffraction data: A comparison of results from line-width and line-shift analyses

Singh

Liermann

2015

Journal of Applied Physics

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High purity polycrystalline niobium was compressed in a diamond anvil cell (DAC) without any pressure transmitting medium and the pressure was increased in steps of ∼5 GPa to the highest pressure of ∼40 GPa. The diffraction pattern was recorded after each pressure increment using angle-dispersive mode with the conventional diffraction geometry, wherein the primary x-ray beam is parallel to the load axis of the DAC. The strength of niobium as function of pressure was determined using the line-width and line-shift analyses. Both eY and 2eY, where Y is the aggregate Young's modulus and e is the strain determined from the line-width analysis, have been used as the measure of strength in earlier studies. In this study, it is eY that agrees with the strength determined from the line-shift analysis of the radial diffraction data as well as the data from the conventional diffraction geometry. These results have been discussed and compared with a similar observation made earlier on strength of diamond. This study highlights the ambiguity that presently exists in choosing eY or 2eY as a measure of strength while attempting to estimate the strength from the diffraction line width analysis.

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“…Since the aforementioned data analysis strategy results in exactly the same lattice strains for (10.0) and (11.0) reflections, a single peak fitting for (11.0) for different loading conditions was achieved using Pseudo-Voigt function [19] and then the lattice strains were calculated.…”

Section: Diffraction Elastic Constantsmentioning

confidence: 99%

Determination of polycrystal diffraction elastic constants of Ti–2.5Cu by using in situ tensile loading and synchrotron radiation

Maawad

Brokmeier

Zhong

et al. 2014

Materials Science and Engineering: A

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Residual stress determination in engineering components from diffraction strain measurements needs reliable diffraction elastic constants (DECs). From this sense, in situ uniaxial tensile loading experiment was performed on alpha titanium alloy Ti-2.5Cu at the HEMS beamline at DESY by means of a monochromatic synchrotron X-ray diffraction. A comparison between measured (polycrystal) and calculated (single crystal) DECs using for example Kröner model was presented and discussed. The results revealed that the measured DECs slightly differ from the calculated ones. Furthermore, changes in the lattice parameters a and c as well as c/a ratio during tensile loading were also investigated.

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The Use of the Pseudo-Voigt Function in the Variance Method of X-ray Line-Broadening Analysis

Cited by 146 publications

References 7 publications

Cation distribution, hyperfine parameters and conduction mechanism in the ferrimagnetic system Cu_0.5Co_0.5Ga_xFe_2–_xO₄

Cation distribution, hyperfine parameters and conduction mechanism in the ferrimagnetic system Cu_0.5Co_0.5Ga_xFe_2–_xO₄

Strength of polycrystalline niobium from high-pressure x-ray diffraction data: A comparison of results from line-width and line-shift analyses

Determination of polycrystal diffraction elastic constants of Ti–2.5Cu by using in situ tensile loading and synchrotron radiation

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The Use of the Pseudo-Voigt Function in the Variance Method of X-ray Line-Broadening Analysis

Cited by 146 publications

References 7 publications

Cation distribution, hyperfine parameters and conduction mechanism in the ferrimagnetic system Cu0.5Co0.5GaxFe2–xO4

Cation distribution, hyperfine parameters and conduction mechanism in the ferrimagnetic system Cu0.5Co0.5GaxFe2–xO4

Strength of polycrystalline niobium from high-pressure x-ray diffraction data: A comparison of results from line-width and line-shift analyses

Determination of polycrystal diffraction elastic constants of Ti–2.5Cu by using in situ tensile loading and synchrotron radiation

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Cation distribution, hyperfine parameters and conduction mechanism in the ferrimagnetic system Cu_0.5Co_0.5Ga_xFe_2–_xO₄

Cation distribution, hyperfine parameters and conduction mechanism in the ferrimagnetic system Cu_0.5Co_0.5Ga_xFe_2–_xO₄