Profile analysis of thin film X-ray diffraction peaks

The crystallinity and morphology of thin, radio-frequency (rf) -sputtered MoS2 films deposited on 440C stainless steel substrates at both ambient (∼70°C) and high temperatures (245°C) were studied by scanning electron microscopy (SEM) and by x-ray diffraction (Read thin-film photography and 0−20 scans). Under SEM the films exhibited a “ridgelike” (or platelike) formation region for thicknesses between 0.18 and 1.0 μm MoS2. X-ray diffraction was shown to give more detailed and accurate information than electron defraction, previously used for elucidating the structure of sputtered lubricant films. Read thin-film x-ray diffraction photographs revealed patterns consistent with the presence of polycrystalline films and strong orientation of the MoS2 crystallites. Correlation of those patterns with 0−20 scans of the films indicated that the basal planes of the MoS2 crystallites [i.e., the (001) planes] were perpendicular to the substrate surface plane, and that various edge planes [i.e., the (h k 0) planes] in the individual crystallites were parallel to the surface plane, in agreement with previous observations of thinner films. Sliding wear caused the crystallites to orient with their basal planes parallel to the surface plane. The crystallite lattices in all films in this study were shown to exhibit compressive stress (∼ 3%–5% with respect to natural molybdenite) in the direction perpendicular to the (h k 0) planes, and the worn films were expanded (i.e., exhibited tensile stress) perpendicular to the (001) plane. In addition, the shapes of the x-ray diffraction peaks were strongly influenced by the presence of oxygen impurities and/or sulfur vacancies in the MoS2 lattice, indicating that x-ray diffraction may provide a simple quality-control test for the production of a film with optimum lubricating properties.

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Microstructure Characterization in Individual Texture Components by X-Ray Line Profile Analysis: Principles of the X-TEX Method and Practical Application to Tensile-Deformed Textured Ti

Crystals ◽

10.3390/cryst10080691 ◽

2020 ◽

Vol 10 (8) ◽

pp. 691

Author(s):

Bertalan Jóni ◽

Éva Ódor ◽

Mia Maric ◽

Wolfgang Pantleon ◽

Tamás Ungár

Keyword(s):

Line Profile ◽

Profile Analysis ◽

Subgrain Size ◽

Pure Titanium ◽

Evaluation Procedure ◽

Line Profile Analysis ◽

X Ray Diffraction ◽

X Ray ◽

Dislocation Densities ◽

Diffraction Peaks

A novel X-ray diffraction-based method and computer program X-TEX has been developed to determine the microstructure in individual texture components of polycrystalline, textured materials. Two different approaches are presented. In the first one, based on the texture of the specimen, the X-TEX software provides optimized specimen orientations for X-ray diffraction experiments in which diffraction peaks consist of intensity contributions stemming from grain populations of separate texture components in the specimen. Texture-specific diffraction patterns can be created by putting such peaks together from different measurements into an artificial pattern for each texture component. In the second one, the X-TEX software can determine the intensity contributions of different texture components to diffraction peaks measured in a particular sample orientation. According to this, peaks belonging mainly to one of the present texture components are identified and grouped into the same quasi-phase during the evaluation procedure. The X-TEX method was applied and tested on tensile-deformed, textured, commercially pure titanium samples. The patterns were evaluated by the convolutional multiple whole profile (CMWP) procedure of line profile analysis for dislocation densities, dipole character, slip systems and subgrain size for three different texture components of the Ti specimens. Significant differences were found in the microstructure evolution in the two major and the random texture components. The dislocation densities were discussed by the Taylor model of work hardening.

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The Effect of Satellite Lines from the X-ray Source on X-ray Diffraction Peaks

Advances in X-ray Analysis ◽

10.1154/s0376030800014828 ◽

1990 ◽

Vol 34 ◽

pp. 501-506

Author(s):

Frank E. Briden ◽

David F. Natschke

Keyword(s):

Distribution Function ◽

Crystallite Size ◽

Profile Analysis ◽

Random Noise ◽

Effective Means ◽

X Ray Diffraction ◽

X Ray ◽

Software Developer ◽

Strain Data ◽

Diffraction Peaks

We have been using crystallite size and strain data obtained from x-ray diffraction (XRD) peak profile analysis to predict the reactivity of solid calcium hydroxide sorbent with acid gases in combustion streams. The development of the method for relating reactivity to crystallite size and strain parameters obtained by the Warren-Averbach technique has been reported by Briden and Natschke and Briden.The software used for the calculations requires that the XRD peak profile be corrected with a distribution function before application in the Warren-Averbach analysis. The reason for this according to the software developer, Gerhard Zorn, of the Siemens Munich Laboratory, is that he has shown that contributions to the profile from alien peaks and random noise can have serious effects on the Warren-Averbach analysis. The fitting of (he experimental XRD peak with a distribution function provides an effective means for filtering out both contributions.

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Size Effects in Plasticity: Experiments and Simulations

Materials Science Forum ◽

10.4028/www.scientific.net/msf.503-504.193 ◽

2006 ◽

Vol 503-504 ◽

pp. 193-200 ◽

Cited By ~ 6

Author(s):

Helena Van Swygenhoven

Keyword(s):

Large Scale ◽

Tensile Deformation ◽

Profile Analysis ◽

Bragg Diffraction ◽

X Ray Diffraction ◽

X Ray ◽

Diffraction Peaks ◽

New Applications ◽

Source And Sink

Large scale computer simulations suggest that in nanocrystalline metals grain boundaries act as source and sink for dislocations. This suggestion has been the motivation for developing a new in-situ X-ray diffraction technique that allow peak profile analysis of several Bragg diffraction peaks during tensile deformation. Synergies between simulations and experiments are discussed including new applications of the in-situ technique.

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Structural Analysis of X-ray Diffraction Peaks of Thin Film Gallium Arsenide

Advances in X-ray Analysis ◽

10.1154/s0376030800008545 ◽

1970 ◽

Vol 14 ◽

pp. 441-452

Author(s):

E. J. Charlson ◽

D. H. Hu ◽

M. R. Farukhi

Keyword(s):

Thin Film ◽

Structural Analysis ◽

Partial Pressure ◽

Fourier Coefficients ◽

Stacking Faults ◽

Line Broadening ◽

X Ray Diffraction ◽

X Ray ◽

Gaas Films ◽

Diffraction Peaks

AbstractA least-squares polynomial approximation of the Warren-Averbach Fourier coefficients line broadening analysis has shown flash-evaporated GaAs films to be characterized by De(lll) ≤ 400 Å and >εL2<½ ⋍ 0.002. Though twinning is the dominant faulting mechanism, a considerable amount of single and double deformation stacking faults are also present. Growth under a partial pressure of arsenic and tin has enhanced crystallite size by a factor of four.

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Highly Ordered Crystalline Thin Film Bilayers of Para-Hexaphenyl and C60 Grown by Hot Wall Epitaxy

MRS Proceedings ◽

10.1557/proc-598-bb3.39 ◽

1999 ◽

Vol 598 ◽

Cited By ~ 1

Author(s):

Helmut Sitter ◽

Gebhard Matt ◽

Andrei Yu. Andreev ◽

Christoph J. Brabec ◽

Dirk Badt ◽

...

Keyword(s):

Thin Film ◽

Growth Process ◽

Ordered Structure ◽

X Ray Diffraction ◽

Mica Substrate ◽

X Ray ◽

Force Microscopy ◽

Atomic Force ◽

Diffraction Peaks ◽

Hot Wall Epitaxy

ABSTRACTThis work focuses on single - and bilayers of para - hexaphenyl (PHP) and C60 grown by Hot Wall Epitaxy. A detailed study of the growth process was performed on glass, ITO and (001)- oriented cleaved mica substrates. The ordering of the layers was investigated by X-ray diffraction, showing clear diffraction peaks for layers grown on mica. The PHP layers grown on mica show high optical anisotropy (dichroic ratios up to 14 in emission) according to the polarization dependent photoluminescence experiments. The highly ordered structure is also reflected in the surface morphology of the layer as observed by atomic force microscopy. The epitaxial growth on mica is mirrored by the main alignment of the surface structure to the orientation of the mica substrate.

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In-situ investigation by X-ray diffraction and wafer curvature of phase formation and stress evolution during metal thin film – silicon reactions

Zeitschrift für Kristallographie Supplements ◽

10.1524/zksu.2007.2007.suppl_26.81 ◽

2007 ◽

Vol 2007 (suppl_26) ◽

pp. 81-89

Author(s):

O. Thomas

Keyword(s):

Thin Film ◽

Phase Formation ◽

Stress Evolution ◽

X Ray Diffraction ◽

X Ray ◽

Wafer Curvature ◽

Thin Film Silicon ◽

Metal Thin Film ◽

In Situ Investigation

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Palladium Nanowire Thin Films via Template Growth

MRS Proceedings ◽

10.1557/proc-775-p4.7 ◽

2003 ◽

Vol 775 ◽

Author(s):

Donghai Wang ◽

David T. Johnson ◽

Byron F. McCaughey ◽

J. Eric Hampsey ◽

Jibao He ◽

...

Keyword(s):

Thin Film ◽

Electron Microscopy ◽

Thin Films ◽

X Ray Diffraction ◽

X Ray ◽

Transmission Electron ◽

Conductive Substrate ◽

Palladium Nanowires ◽

Efficient Route ◽

Silica Thin Film

AbstractPalladium nanowires have been electrodeposited into mesoporous silica thin film templates. Palladium continually grows and fills silica mesopores starting from a bottom conductive substrate, providing a ready and efficient route to fabricate a macroscopic palladium nanowire thin films for potentially use in fuel cells, electrodes, sensors, and other applications. X-ray diffraction (XRD) and transmission electron microscopy (TEM) indicate it is possible to create different nanowire morphology such as bundles and swirling mesostructure based on the template pore structure.

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Control of the phase composition of advanced calcium phosphates using an x-ray diffractometer with a curved position-sensitive detector

Industrial laboratory Diagnostics of materials ◽

10.26896/1028-6861-2020-86-6-29-35 ◽

2020 ◽

Vol 86 (6) ◽

pp. 29-35

Author(s):

V. P. Sirotinkin ◽

O. V. Baranov ◽

A. Yu. Fedotov ◽

S. M. Barinov

Keyword(s):

Phase Composition ◽

Calcium Phosphates ◽

Position Sensitive Detector ◽

Sensitive Detector ◽

X Ray Diffraction ◽

X Ray ◽

Impurity Phases ◽

Position Sensitive ◽

Diffraction Peaks ◽

Diffraction Patterns

The results of studying the phase composition of advanced calcium phosphates Ca10(PO4)6(OH)2, β-Ca3(PO4)2, α-Ca3(PO4)2, CaHPO4 · 2H2O, Ca8(HPO4)2(PO4)4 · 5H2O using an x-ray diffractometer with a curved position-sensitive detector are presented. Optimal experimental conditions (angular positions of the x-ray tube and detector, size of the slits, exposure time) were determined with allowance for possible formation of the impurity phases during synthesis. The construction features of diffractometers with a position-sensitive detector affecting the profile characteristics of x-ray diffraction peaks are considered. The composition for calibration of the diffractometer (a mixture of sodium acetate and yttrium oxide) was determined. Theoretical x-ray diffraction patterns for corresponding calcium phosphates are constructed on the basis of the literature data. These x-ray diffraction patterns were used to determine the phase composition of the advanced calcium phosphates. The features of advanced calcium phosphates, which should be taken into account during the phase analysis, are indicated. The powder of high-temperature form of tricalcium phosphate strongly adsorbs water from the environment. A strong texture is observed on the x-ray diffraction spectra of dicalcium phosphate dihydrate. A rather specific x-ray diffraction pattern of octacalcium phosphate pentahydrate revealed the only one strong peak at small angles. In all cases, significant deviations are observed for the recorded angular positions and relative intensity of the diffraction peaks. The results of the study of experimentally obtained mixtures of calcium phosphate are presented. It is shown that the graphic comparison of experimental x-ray diffraction spectra and pre-recorded spectra of the reference calcium phosphates and possible impurity phases is the most effective method. In this case, there is no need for calibration. When using this method, the total time for analysis of one sample is no more than 10 min.

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