scholarly journals An approach to high-throughput X-ray diffraction analysis of combinatorial polycrystalline thin film libraries

2009 ◽  
Vol 42 (2) ◽  
pp. 174-178 ◽  
Author(s):  
S. Roncallo ◽  
O. Karimi ◽  
K. D. Rogers ◽  
D. W. Lane ◽  
S. A. Ansari
Keyword(s):  
High Throughput ◽  
Lattice Parameter ◽  
Scattering Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Raster Scanning ◽  
Area Detector ◽  
Large Numbers ◽  
Potential Applications ◽  
Compositional Gradients

With the demand for higher rates of discovery in the materials field, characterization techniques that are capable of rapidly and reliably surveying the characteristics of large numbers of samples are essential. A chemical combinatorial approach using thin films can provide detailed phase diagrams without the need to produce multiple, individual samples. This is achieved with compositional gradients forming high-density libraries. Conventional raster scanning of chemical or structural probes is subsequently used to interrogate the libraries. A new, alternative approach to raster scanning is introduced to provide a method of high-throughput data collection and analysis using an X-ray diffraction probe. Libraries are interrogated with an extended X-ray source and the scattering data collected using an area detector. A simple technique of `partitioning' this scattering distribution enables determination of information comparable to conventional raster scanned results but in a dramatically reduced collection time. The technique has been tested using synthetic X-ray scattering distributions and those obtained from contrived samples. In all cases, the partitioning algorithm is shown to be robust and to provide reliable data; discrimination along the library principal axis is shown to be ∼500 µm and the lattice parameter resolution to be ∼10−3 Å mm−1. The limitations of the technique are discussed and future potential applications described.

Correction of specimen absorption in X-ray diffuse scattering experiments with area-detector systems

2000 ◽  
Vol 33 (1) ◽  
pp. 35-48 ◽  
Author(s):  
Stefan Scheidegger ◽  
Michael Alexander Estermann ◽  
Walter Steurer
Keyword(s):  
Diffuse Scattering ◽  
Amorphous Materials ◽  
Routine Data ◽  
Scattering Data ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Area Detector ◽  
Absorption Correction ◽  
Transmission Factors

Methods for correcting specimen absorption in X-ray diffraction experiments, dedicated to two-dimensional area-detector systems and broad diffuse scattering phenomena, are implemented and tested. The respective transmission factors, in relation to the crystal or specimen shape, are applied to the intensity of every pixel of the two-dimensional detector. The pixel-wise approach allows for a fully quantitative treatment of continuous diffraction information, such as disorder diffuse scattering or scattering from amorphous materials, which is collected with a two-dimensional detector system. This is in contrast to routine data reduction, where the transmission factors are applied to the integrated Bragg intensities only. Furthermore, it is possible to assign different linear attenuation coefficients to the paths of the incident and scattered beams, as is desirable, for instance, in the case of X-ray holography with an internal resonant scatterer. Broad diffuse scattering data collected with synchrotron radiation and numerical calculations are used to study in detail the influence of experimental parameters on the accuracy of the pixel-wise absorption correction.

Effects of residual (or internal) stress on ferroelectric domain wall motion in tetragonal lead titanate

2009 ◽  
Vol 24 (5) ◽  
pp. 1803-1809 ◽  
Author(s):  
Wonyoung Chang ◽  
Alexander H. King ◽  
Keith J. Bowman
Keyword(s):  
Lead Titanate ◽  
Domain Wall Motion ◽  
Sample Surface ◽  
Lattice Parameter ◽  
Effect Of Temperature ◽  
Loading Conditions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Area Detector

The effect of temperature on grinding-induced texture in tetragonal lead titanate (PT) has been investigated as a function of the magnitude of loading applied to the sample surface during grinding, using in situ x-ray diffraction (XRD) with an area detector. Compared to the ground PT under lower loading conditions (5 N), the ground PT under higher loading conditions (40 N) retains strong ferroelastic texture near the Curie temperature (TC) around 350 °C and undergoes smaller changes in lattice parameter or tetragonality versus temperature during in situ thermal cycling between room temperature and approximately 100 °C above the TC. Inhibited depoling of ground PT materials investigated by in situ texture measurements demonstrates the effects of residual stresses.

scholarly journals Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Durga Sankar Vavilapalli ◽  
Ambrose A. Melvin ◽  
F. Bellarmine ◽  
Ramanjaneyulu Mannam ◽  
Srihari Velaga ◽  
...  
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Photoelectron Spectroscopy ◽  
Diffraction Method ◽  
Lattice Parameter ◽  
First Principle ◽  
X Ray Diffraction ◽  
X Ray ◽  
First Principle Calculations ◽  
Photodegradation Efficiency

AbstractIdeal sillenite type Bi12FeO20 (BFO) micron sized single crystals have been successfully grown via inexpensive hydrothermal method. The refined single crystal X-ray diffraction data reveals cubic Bi12FeO20 structure with single crystal parameters. Occurrence of rare Fe4+ state is identified via X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The lattice parameter (a) and corresponding molar volume (Vm) of Bi12FeO20 have been measured in the temperature range of 30–700 °C by the X-ray diffraction method. The thermal expansion coefficient (α) 3.93 × 10–5 K−1 was calculated from the measured values of the parameters. Electronic structure and density of states are investigated by first principle calculations. Photoelectrochemical measurements on single crystals with bandgap of 2 eV reveal significant photo response. The photoactivity of as grown crystals were further investigated by degrading organic effluents such as Methylene blue (MB) and Congo red (CR) under natural sunlight. BFO showed photodegradation efficiency about 74.23% and 32.10% for degrading MB and CR respectively. Interesting morphology and microstructure of pointed spearhead like BFO crystals provide a new insight in designing and synthesizing multifunctional single crystals.

scholarly journals Measurements by x-ray diffraction of the temperature dependence of lattice parameter and crystallite size for isostatically-pressed graphite

Carbon Trends ◽  
2021 ◽  
pp. 100071
Author(s):  
Keith R. Hallam ◽  
James Edward Darnbrough ◽  
Charilaos Paraskevoulakos ◽  
Peter J. Heard ◽  
T. James Marrow ◽  
...  
Keyword(s):  
Temperature Dependence ◽  
Crystallite Size ◽  
Lattice Parameter ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Laser-Induced Deposition of Plasmonic Ag and Pt Nanoparticles, and Periodic Arrays

Materials ◽  
2020 ◽  
Vol 14 (1) ◽  
pp. 10
Author(s):  
Daria V. Mamonova ◽  
Anna A. Vasileva ◽  
Yuri V. Petrov ◽  
Denis V. Danilov ◽  
Ilya E. Kolesnikov ◽  
...  
Keyword(s):  
Substrate Surface ◽  
Pt Nanoparticles ◽  
Single Step ◽  
X Ray Diffraction ◽  
Ag Nps ◽  
X Ray ◽  
Periodic Arrays ◽  
Potential Applications ◽  
Surface Decoration ◽  
Wide Potential

Surfaces functionalized with metal nanoparticles (NPs) are of great interest due to their wide potential applications in sensing, biomedicine, nanophotonics, etc. However, the precisely controllable decoration with plasmonic nanoparticles requires sophisticated techniques that are often multistep and complex. Here, we present a laser-induced deposition (LID) approach allowing for single-step surface decoration with NPs of controllable composition, morphology, and spatial distribution. The formation of Ag, Pt, and mixed Ag-Pt nanoparticles on a substrate surface was successfully demonstrated as a result of the LID process from commercially available precursors. The deposited nanoparticles were characterized with SEM, TEM, EDX, X-ray diffraction, and UV-VIS absorption spectroscopy, which confirmed the formation of crystalline nanoparticles of Pt (3–5 nm) and Ag (ca. 100 nm) with plasmonic properties. The advantageous features of the LID process allow us to demonstrate the spatially selective deposition of plasmonic NPs in a laser interference pattern, and thereby, the formation of periodic arrays of Ag NPs forming diffraction grating

Problems Associated with Kα Doublet in Residual Stress Measurements

1979 ◽  
Vol 23 ◽  
pp. 333-339
Author(s):  
S. K. Gupta ◽  
B. D. Cullity
Keyword(s):  
Residual Stress ◽  
Silicon Powder ◽  
Lattice Parameter ◽  
Diffraction Peak ◽  
Parameter Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Analysis Techniques ◽  
The Difference ◽  
Similar Accuracy

Since the measurement of residual stress by X-ray diffraction techniques is dependent on the difference in angle of a diffraction peak maximum when the sample is examined consecutively with its surface at two different angles to the diffracting planes, it is important that these diffraction angles be obtained precisely, preferably with an accuracy of ± 0.01 deg. 2θ. Similar accuracy is desired in precise lattice parameter determination. In such measurements, it is imperative that the diffractometer be well-aligned. It is in the context of diffractometer alignment with the aid of a silicon powder standard free of residual stress that the diffraction peak analysis techniques described here have been developed, preparatory to residual stress determinations.

scholarly journals MOVPE Growth of Quaternary (Al,Ga,In)N for UV Optoelectronics

2000 ◽  
Vol 5 (S1) ◽  
pp. 412-424
Author(s):  
Jung Han ◽  
Jeffrey J. Figiel ◽  
Gary A. Petersen ◽  
Samuel M. Myers ◽  
Mary H. Crawford ◽  
...  
Keyword(s):  
Room Temperature ◽  
Rutherford Backscattering Spectrometry ◽  
Optoelectronic Devices ◽  
Lattice Parameter ◽  
X Ray Diffraction ◽  
X Ray ◽  
Peak Energy ◽  
Movpe Growth ◽  
Pl Emission

We report the growth and characterization of quaternary AlGaInN. A combination of photoluminescence (PL), high-resolution x-ray diffraction (XRD), and Rutherford backscattering spectrometry (RBS) characterizations enables us to explore the contours of constant- PL peak energy and lattice parameter as functions of the quaternary compositions. The observation of room temperature PL emission at 351nm (with 20% Al and 5% In) renders initial evidence that the quaternary could be used to provide confinement for GaInN (and possibly GaN). AlGaInN/GaInN MQW heterostructures have been grown; both XRD and PL measurements suggest the possibility of incorporating this quaternary into optoelectronic devices.

Polyhedral characteristics of the cosalite-type crystal structures

2019 ◽  
Vol 57 (5) ◽  
pp. 647-662
Author(s):  
Sabina Kovač ◽  
Predrag Dabić ◽  
Aleksandar Kremenović ◽  
Aleksandar Pačevski ◽  
Ljiiljana Karanović ◽  
...  
Keyword(s):  
Crystal Data ◽  
Chemical Formula ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Area Detector ◽  
Octahedral Sites ◽  
Distorted Octahedral ◽  
Cation Substitutions ◽  
Type Crystal

Abstract The crystal structure of cosalite from the Trepča orefield was refined in the orthorhombic space group Pnma [a = 23.7878 (9), b = 4.0566 (3), c = 19.1026 (8) Å, V = 1843.35 (17) Å3, Z = 2] from single-crystal data (MoKα X-ray diffraction, CCD area detector) to the conventional R1 factor 0.031 for 1516 unique reflections with I > 2σ(I). The chemical formula (Cu0.15Ag0.24)+(Fe0.19Pb7.20)2+(Bi7.06Sb1.06)3+S20, calculated on the basis of 20 S atoms per formula unit, was determined by WDX. The unit cell contains 18 + 2 symmetrically nonequivalent atomic sites: 10 occupied by S; two by pure Pb (Pb3 and Pb4); one by pure Bi (Bi1); two by a combination of Bi and small amounts of Sb (Bi2/Sb2, Bi4/Sb3); two by Pb and Bi, and in one of these also by a small amount of Ag [Me1 = Pb2 >> Bi5 > Ag1, Me3 = Pb1 >> Bi3]; and finally one site, Me2 (Bi6 >> □), is partly occupied by Bi and partly split into an additional two adjacent trigonal planar “interstitial positions”, Cu1 and Cu2, where small amounts of Cu, Ag, and Fe can be situated. All atoms are at 4c special positions at y = 0.25 or 0.75. The structure consists of slightly to moderately distorted MeS6 octahedra sharing edges, bicapped trigonal PbS8 coordination prisms, and fairly distorted Cu1S6 and Cu2S4 polyhedra. The effects of the cation substitutions, bond valence sums, and the polyhedral characteristics are compared with other published cosalite-type structures. Among known cosalite-type structures, the largest volume contraction is shown by sample 4 (Altenberg) and involves the replacement of large cations (Bi3+ and Pb2+) by the smaller Sb3+, as well as Cu+ and Ag+. These replacements are reflected in the variations of individual Me–S bond distances, which are accompanied by variations in average Me–S distances. The degree of polyhedral distortion, Δ, progressively increases for the four Bi-hosting sites of nine cosalite-type structures: Me2 < Bi2 < Bi1 < Bi4. The Bi4 and Me3 are the most and the Me1 and Me2 are the least distorted octahedral sites of the nine cosalite-type structures.

Phase selection in precursor-derived yttrium aluminum garnet and related Al2O3–Y2O3 compositions

2005 ◽  
Vol 20 (4) ◽  
pp. 1017-1025 ◽  
Author(s):  
Ashutosh S. Gandhi ◽  
Carlos G. Levi
Keyword(s):  
Heat Treatment ◽  
Yttrium Aluminum Garnet ◽  
Lattice Parameter ◽  
Defect Structures ◽  
X Ray Diffraction ◽  
Phase Selection ◽  
X Ray ◽  
Yttrium Aluminum ◽  
Rich Side ◽  
Nitrate Solutions

Al2O3–Y2O3 powders were synthesized in the range of 25–55% Y2O3 by reverse coprecipitation of nitrate solutions. All starting powders were amorphous and formed primary yttrium aluminum garnet (YAG) upon crystallization. X-ray diffraction detected only garnet in compositions of 30–40% Y2O3 after heat treatment at 1250 °C. Compositions of 45–55% Y2O3 established a metastable YAG + Y4Al2O9 microstructure. The YAG phase field was metastably extended away from its stoichiometry, as indicated by a systematic increase in lattice parameter with Y2O3 content. Although some Al2O3 enrichment was achieved, YAG appears to tolerate greater off-stoichiometry on the Y2O3-rich side. Possible defect structures accommodating the solubility extension were examined. Phase selection results indicate that compositional inhomogeneity is not the only reason behind the appearance of hexagonal YAlO3, which is frequently reported during YAG synthesis.

scholarly journals Grazing-incidence X-ray diffraction of single GaAs nanowires at locations defined by focused ion beams

2013 ◽  
Vol 46 (4) ◽  
pp. 887-892 ◽  
Author(s):  
Genziana Bussone ◽  
Rüdiger Schott ◽  
Andreas Biermanns ◽  
Anton Davydok ◽  
Dirk Reuter ◽  
...  
Keyword(s):  
Gaas Substrate ◽  
Lattice Spacing ◽  
Molecular Beam ◽  
Grazing Incidence ◽  
Lattice Parameter ◽  
Ion Beams ◽  
Focused Ion Beams ◽  
X Ray Diffraction ◽  
X Ray ◽  
Gaas Nanowires

Grazing-incidence X-ray diffraction measurements on single GaAs nanowires (NWs) grown on a (111)-oriented GaAs substrate by molecular beam epitaxy are reported. The positions of the NWs are intentionally determined by a direct implantation of Au with focused ion beams. This controlled arrangement in combination with a nanofocused X-ray beam allows the in-plane lattice parameter of single NWs to be probed, which is not possible for randomly grown NWs. Reciprocal space maps were collected at different heights along the NW to investigate the crystal structure. Simultaneously, substrate areas with different distances from the Au-implantation spots below the NWs were probed. Around the NWs, the data revealed a 0.4% decrease in the lattice spacing in the substrate compared with the expected unstrained value. This suggests the presence of a compressed region due to Au implantation.

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