X-ray diffraction patterns of C60 films by the thin film method and the intercalation of O2

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.

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X-ray Diffraction and Modelling Studies of Multilayer SnO2 Thin Film Gas Sensors

MRS Proceedings ◽

10.1557/proc-403-577 ◽

1995 ◽

Vol 403 ◽

Cited By ~ 1

Author(s):

L. E. Depero ◽

C. Perego ◽

L. Sangaletti ◽

G. Sberveglieri

Keyword(s):

Thin Film ◽

Orthorhombic Phase ◽

Sno2 Thin Film ◽

X Ray Diffraction ◽

X Ray ◽

Modelling Studies ◽

Cation Coordination ◽

Diffraction Patterns ◽

Two Phases ◽

The Relationship

AbstractStructural studies have been carried out on SnO2 multilayer thin film grown by the Rheotaxial Growth and Thermal Oxidation method on A120 3 substrates. A preliminary analysis of the X-ray diffraction patterns shows that, in addition to the Sn0 2 cassiterite phase, a strong contribution from an orthorhombic Sn02 phase is present.In the case of the 3-layer film, the orthorhombic phase is structurally and microstructurally stable after an annealing up to 32 h at 400 'C. The cation coordination is similar to that found in cassiterite, but the chains of edge-sharing [SnO6]8- octahedra run in a zig-zag fashion along the [100] direction, each straight unit containing four octahedra. The relationship between the two phases is discussed on the basis of structural simulations including twinning planes in the crystal structure.

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The Gamma to Alpha Transformation in Thin Film Alumina

MRS Proceedings ◽

10.1557/proc-41-381 ◽

1984 ◽

Vol 41 ◽

Cited By ~ 4

Author(s):

E. M. Clausen ◽

J. J. Hren

Keyword(s):

Thin Film ◽

Low Temperature ◽

Thermal History ◽

Starting Material ◽

X Ray Diffraction ◽

Transition Alumina ◽

X Ray ◽

Aluminum Hydroxides ◽

Transitional Forms ◽

Diffraction Patterns

AbstractMany forms of low temperature alumina have been identified [1]. These are collectively referred to as transitional forms. The particular form depends strongly on the starting material (e.g., hydrated, thermally oxidized, alkoxide, etc.), the impurities present, and on thermal history. Although different forms of transition alumina are sometimes referred to as phases, none can be considered a true polymorph of corundum, i.e., α-alumina. Transformations from one form to another which occur upon heating are not reversible, although they are quite reproducible [2]. These different transitional structures are therefore considered to comprise different states of reordering. Figure 1 is a compendium of powder x-ray diffraction patterns from all known transitional aluminas and several aluminum hydroxides [3]. It i.s obvious that there are several crystallographic spacings which are nearly common to all forms.

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THE INFLUENCE OF STRUCTURE IMPERFECTION ON THE GLASS-TRANSITION BEHAVIOR IN C60 FILMS

International Journal of Modern Physics B ◽

10.1142/s021797920503147x ◽

2005 ◽

Vol 19 (15n17) ◽

pp. 2651-2656

Author(s):

JIAN WU ◽

MIN GUI ◽

PENG BAO ◽

DUAN FENG ◽

SENZU YANG

Keyword(s):

Glass Transition ◽

Room Temperature ◽

X Ray Diffraction ◽

X Ray ◽

Orientational Glass ◽

Dielectric Constant And Loss ◽

Diffraction Patterns ◽

C60 Films ◽

Structure Imperfection ◽

Dipole Correlation

Two batches of C 60 films were grown at different growth rate, using a vacuum deposition technique. X-ray diffraction patterns indicate both films have preferential (111) orientation. We measured their dielectric constant and loss factor from 80K to room temperature, and observed distinct broad and asymmetric loss peaks, attributed to orientational glass transition. The apparent activation energy was determined as 344.4 and 304.8 meV for film A and B respectively, larger than the value 280 meV in bulk C 60. Ngai's correlated-state model is used to simulate relaxation spectrum, and the real activation energies were calculated, which agree with the reported activation value in bulk C 60 very well. We propose that the structure imperfection have contributed additional dipole correlation interactions, which make the relaxation behavior of our C 60 films deviate from that of bulk C 60.

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Improvement of beamline 4B9A and results of an X-ray diffraction experiment

Journal of Synchrotron Radiation ◽

10.1107/s0909049597014477 ◽

1998 ◽

Vol 5 (3) ◽

pp. 503-505

Author(s):

D. W. Wang ◽

H. Y. Jiang ◽

Z. H. Wu ◽

X. S. Wu ◽

S. S. Jiang ◽

...

Keyword(s):

Thin Film ◽

Photon Energy ◽

Tetragonal Symmetry ◽

Second Phase ◽

Diffraction Experiment ◽

X Ray Diffraction ◽

X Ray ◽

Cylindrical Mirror ◽

Diffraction Patterns ◽

Maximum Photon

4B9A is a focusing and monochromatic photon beam at the BSRF, which was constructed in 1990. During the second phase of the BSRF program, the surface of the cylindrical mirror has been coated with Pt, covering the original Ni, and the monochromator has been upgraded. The maximum photon energy extends to 11 keV and the intensity has increased about tenfold with respect to the previous intensity at 6 keV. Synchrotron X-ray diffraction patterns for the Hg-1223 (HgBa2Ca2Cu3O8+δ) superconducting bulk and thin film have been measured at 1.54014 Å. Results indicate that the bulk and film can be indexed as possessing tetragonal symmetry; lattice parameters a = 3.856 Å and c = 15.851 Å for the bulk Hg-1223 compound, and a = 3.8517 Å and c = 15.8511 Å for the film. Their structures are similar.

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Van Der Waals Epitaxial Growth of Bismuth Thin-film on Silicon (111) Substrate by MBE

10.21203/rs.3.rs-1048747/v1 ◽

2021 ◽

Author(s):

Chieh Chou ◽

Po-Siun Wu ◽

Hao-Hsiung Lin

Keyword(s):

Thin Film ◽

Van Der Waals ◽

Electron Back Scatter Diffraction ◽

X Ray Diffraction ◽

X Ray ◽

Selected Area Electron Diffraction ◽

Pole Figures ◽

Angle Difference ◽

Diffraction Patterns ◽

Φ Angle

Abstract Crystallinity of an 80-nm-thick bismuth thin film grown on Si(111) substrate by MBE was investigated. The highly (0003) textured Bi film contains two twinning domains with different bilayer stacking sequences. The basic lattice parameters c and a as well as b, the bilayer thickness, of the two domains were determined from a series of X-ray diffraction (XRD) measurements, and found that the differences are within 0.1% as compared with those of bulk Bi reported in literature, suggesting that the Bi film has been nearly fully relaxed. From the XRD φ-scans of asymmetric Bi (01-14), (10-15), (11-26) planes and Si (220) plane as well as selected area electron diffraction patterns and electron back scatter diffraction pole figures, we confirmed the well registration between the lattices of Si and Bi lattice, i.e. the ω angle difference between Bi[0003] and Si[111] and the φ angle different between Bi[01-14] and Si[220] are 0.056° and 0.25°, respectively, and thus concluded that the growth is a quasi-van der Waals epitaxy.

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Correlation Between Currents, X-ray Diffraction Patterns and Transfer Characteristics of SnO2 Thin Film Transistor

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2019.15973 ◽

2019 ◽

Vol 19 (4) ◽

pp. 2174-2178 ◽

Cited By ~ 2

Author(s):

Teresa Oh

Keyword(s):

Thin Film ◽

Thin Film Transistor ◽

Sno2 Thin Film ◽

X Ray Diffraction ◽

X Ray ◽

Transfer Characteristics ◽

Diffraction Patterns

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Mounting of crystals for macromolecular crystallography in a free-standing thin film

Journal of Applied Crystallography ◽

10.1107/s0021889890005568 ◽

1990 ◽

Vol 23 (5) ◽

pp. 387-391 ◽

Cited By ~ 216

Author(s):

T.-Y. Teng

Keyword(s):

Thin Film ◽

Optical Monitoring ◽

Thin Wire ◽

Macromolecular Crystallography ◽

X Ray Diffraction ◽

Free Standing ◽

Viscous Material ◽

X Ray ◽

Uniform Background ◽

Diffraction Patterns

A method for mounting single crystals in macromolecular crystallographic studies is described in which the crystal is suspended in a thin film. The film is formed from a mixture of the crystallization buffer and a hydrophilic viscous material, confined within a thin-wire loop by surface tension. Compared with conventional crystal mounting methods, this method greatly simplifies and speeds the mounting procedure, is well suited to shock freezing and to optical monitoring of the crystals, deforms fragile crystals less and gives a lower and more uniform background in the X-ray diffraction patterns.

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Evaluation of Freezing Methods by Low Temperature X-Ray Diffraction

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100079176 ◽

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.

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Examination of Rabbit Fc Crystals

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100100445 ◽

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.

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