Geometrical interpretation of x‐ray diffraction patterns of strained‐layer superlattice structures

1993 ◽  
Vol 62 (16) ◽  
pp. 1898-1900 ◽  
Author(s):  
P. van der Sluis
Keyword(s):  
Geometrical Interpretation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Strained Layer ◽  
Strained Layer Superlattice ◽  
Diffraction Patterns ◽  
Superlattice Structures

Photoinduced structural dynamics of polar solids studied by femtosecond X-ray diffraction

2010 ◽  
Vol 66 (2) ◽  
pp. 168-178 ◽  
Author(s):  
Thomas Elsaesser ◽  
Michael Woerner
Keyword(s):  
Real Time ◽  
Structural Changes ◽  
Bragg Diffraction ◽  
X Ray Diffraction ◽  
Crystalline Materials ◽  
X Ray ◽  
Density Maps ◽  
Diffraction Patterns ◽  
Superlattice Structures ◽  
Work Done

Femtosecond X-ray diffraction allows for real-time mapping of structural changes in condensed matter on atomic length and timescales. Sequences of diffraction patterns provide both transient geometries and charge-density maps of crystalline materials. This article reviews recent progress in this field, the main emphasis being on experimental work done with laser-driven hard X-ray sources. Both Bragg diffraction techniques for bulk and nanostructured single crystals as well as the recently implemented powder diffraction from polycrystalline samples are discussed. In ferroelectric superlattice structures, coherent phonon motions and the driving stress mechanisms are observed in real time. In molecular crystals charge-transfer processes and the concomitant changes of the lattice geometry are analyzed.

HgTe-CdTe Superlattices Grown by Photo-MOCVD

1986 ◽  
Vol 90 ◽  
Author(s):  
William L. Ahlgren ◽  
J. B. James ◽  
R. P. Ruth ◽  
E. A. Patten ◽  
J.-L. Staudenmann
Keyword(s):  
Cation Vacancy ◽  
X Ray Diffraction ◽  
Third Order ◽  
Cross Sectional ◽  
X Ray ◽  
Target Values ◽  
Diffraction Patterns ◽  
Superlattice Structures ◽  
First Time ◽  
Blocking Mechanism

ABSTRACTHgTe-CdTe superlattices have been grown, for the first time, by photoassisted MOCVD. The substrate temperature was 182°C. Superlattices were obtained despite low growth rates requiring long growth times (∼10 hours). Interdiffusion during growth may be slowed down by growing under saturated Hg vapor to minimize cation-vacancy formation. The nominal superlattice structures were 70Å HgTe-30Å CdTe, 40Å HgTe-40Å CdTe, and similar. Actual superlattice structures were verified by cross-sectional TEM and diffractometer x-ray diffraction patterns. The x-ray diffraction patterns showed satellite peaks up to third order. The actual structures had HgTe layers ∼20% thicker than the nominal (target) values. A grid-like array of dislocations at the substrate-epilayer interface, suggesting operation of a dislocation-blocking mechanism, was observed. Deficiencies in the superlattice growths include a low growth rate, nonuniform layers, high dislocation density (∼108 cm−2 in best layers), and high n-type carrier concentration (∼1018 cm−3 with mobilities up to 3.5 × 104 cm2 V−1 s−1 in the best layer) which may reflect the presence of donor impurities in the material.

An improved deviation parameter for the simulation of dynamical X-ray diffraction on epitaxic heterostructures

1993 ◽  
Vol 26 (6) ◽  
pp. 801-811 ◽  
Author(s):  
R. Zaus
Keyword(s):  
Scattering Theory ◽  
Angular Position ◽  
Diffraction Theory ◽  
X Ray Diffraction ◽  
X Ray ◽  
Strained Layer ◽  
Superlattice Structure ◽  
Deviation Parameter ◽  
Strained Layer Superlattice ◽  
Beam Approximation

X-ray diffraction rocking curves of a strained-layer superlattice structure have been measured at symmetric and asymmetric Bragg reflections and compared with simulated diffraction curves. The calculations are based on dynamical scattering theory. The experimental and theoretical curves exhibit a discrepancy with regard to the angular position of the higher-order satellite reflections, which can be removed by introducing a new expression for the deviation parameter in the dynamical diffraction theory. The improved deviation parameter extends the range of validity of the two-beam approximation, especially for asymmetric reflections with glancing exit geometry. Therefore, if the relaxation of strained-layer heterostructures is to be determined by comparison with simulated rocking curves, only the improved parameter should be used.

Evaluation of Freezing Methods by Low Temperature X-Ray Diffraction

1977 ◽  
Vol 35 ◽  
pp. 330-333
Author(s):  
T. Gulik-Krzywicki ◽  
M.J. Costello
Keyword(s):  
Biological Materials ◽  
Molecular Organization ◽  
X Ray Diffraction ◽  
Glass Capillary ◽  
X Ray ◽  
Rate Dependent ◽  
Before And After ◽  
Freeze Etching ◽  
Diffraction Patterns ◽  
Set Up

Freeze-etching electron microscopy is currently one of the best methods for studying molecular organization of biological materials. Its application, however, is still limited by our imprecise knowledge about the perturbations of the original organization which may occur during quenching and fracturing of the samples and during the replication of fractured surfaces. Although it is well known that the preservation of the molecular organization of biological materials is critically dependent on the rate of freezing of the samples, little information is presently available concerning the nature and the extent of freezing-rate dependent perturbations of the original organizations. In order to obtain this information, we have developed a method based on the comparison of x-ray diffraction patterns of samples before and after freezing, prior to fracturing and replication.Our experimental set-up is shown in Fig. 1. The sample to be quenched is placed on its holder which is then mounted on a small metal holder (O) fixed on a glass capillary (p), whose position is controlled by a micromanipulator.

Examination of Rabbit Fc Crystals

1968 ◽  
Vol 26 ◽  
pp. 140-141
Author(s):  
J. P. Robinson ◽  
P. G. Lenhert
Keyword(s):  
Molecular Weight ◽  
Flat Plate ◽  
Phosphate Buffer ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Neutral Ph ◽  
Small Crystals ◽  
Carbon Coated ◽  
Diffraction Patterns

Crystallographic studies of rabbit Fc using X-ray diffraction patterns were recently reported. The unit cell constants were reported to be a = 69. 2 A°, b = 73. 1 A°, c = 60. 6 A°, B = 104° 30', space group P21, monoclinic, volume of asymmetric unit V = 148, 000 A°3. The molecular weight of the fragment was determined to be 55, 000 ± 2000 which is in agreement with earlier determinations by other methods.Fc crystals were formed in water or dilute phosphate buffer at neutral pH. The resulting crystal was a flat plate as previously described. Preparations of small crystals were negatively stained by mixing the suspension with equal volumes of 2% silicotungstate at neutral pH. A drop of the mixture was placed on a carbon coated grid and allowed to stand for a few minutes. The excess liquid was removed and the grid was immediately put in the microscope.

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

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.

Infrared spectroscopic study of the YPO4-YCrO4 system

1985 ◽  
Vol 50 (10) ◽  
pp. 2139-2145
Author(s):  
Alexander Muck ◽  
Eva Šantavá ◽  
Bohumil Hájek
Keyword(s):  
Spectroscopic Study ◽  
Infrared Spectra ◽  
Point Of View ◽  
Mixed Crystals ◽  
Crystal Symmetry ◽  
Infrared Spectroscopic Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Infrared Spectroscopic ◽  
Diffraction Patterns

The infrared spectra and powder X-ray diffraction patterns of polycrystalline YPO4-YCrO4 samples are studied from the point of view of their crystal symmetry. Mixed crystals of the D4h19 symmetry are formed over the region of 0-30 mol.% YPO4 in YCrO4. The Td → D2d → D2 or C2v(GS eff) correlation is appropriate for both PO43- and CrO43- anions.

scholarly journals Deep learning for visualization and novelty detection in large X-ray diffraction datasets

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Lars Banko ◽  
Phillip M. Maffettone ◽  
Dennis Naujoks ◽  
Daniel Olds ◽  
Alfred Ludwig
Keyword(s):  
Thin Film ◽  
Crystal Structure ◽  
Artificial Intelligence ◽  
Deep Learning ◽  
Novelty Detection ◽  
Structural Similarity ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns ◽  
Post Hoc

AbstractWe apply variational autoencoders (VAE) to X-ray diffraction (XRD) data analysis on both simulated and experimental thin-film data. We show that crystal structure representations learned by a VAE reveal latent information, such as the structural similarity of textured diffraction patterns. While other artificial intelligence (AI) agents are effective at classifying XRD data into known phases, a similarly conditioned VAE is uniquely effective at knowing what it doesn’t know: it can rapidly identify data outside the distribution it was trained on, such as novel phases and mixtures. These capabilities demonstrate that a VAE is a valuable AI agent for aiding materials discovery and understanding XRD measurements both ‘on-the-fly’ and during post hoc analysis.

Sign in / Sign up

Export Citation Format

Share Document