Highly Textured (111) Pt Substrates for Preferred Orientation Controlled AlN Films

2011 ◽  
Vol 675-677 ◽  
pp. 1259-1262 ◽  
Author(s):  
Takashi Harumoto ◽  
Shinji Muraishi ◽  
Ji Shi ◽  
Yoshio Nakamura
Keyword(s):  
Crystal Structure ◽  
Residual Stress ◽  
Preferred Orientation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Tilting Angle ◽  
Diffraction Angle ◽  
The One

Preferred orientation of AlN films has been improved to c-axis using a highly (111) textured Pt layer. The highly textured (111) Pt layer is obtained by inserting an AlN layer between the Pt layer and substrate. Thus, Pt/AlN/substrate could be termed a substrate for preferred orientation controlled AlN films. X-ray diffraction (XRD) profiles reveal that the degree of preferred orientation of such highly (111) textured Pt layer surpasses the one originated from the crystal structure of Pt. The (2θ, ψ) intensify maps of diffracted X-ray collected as a function of the diffraction angle (2θ) and the tilting angle (ψ) exhibit that the films are perfectly (111) preferred orientated, however, they do not show in-plane texture. The (2θ, ψ) maps also demonstrate that a residual stress in films is subject to compressive.

The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2·3H2O, and carlfriesite, CaTe4+2Te6+O8

2019 ◽  
Vol 83 (4) ◽  
pp. 539-549 ◽  
Author(s):  
Owen P. Missen ◽  
Anthony R. Kampf ◽  
Stuart J. Mills ◽  
Robert M. Housley ◽  
John Spratt ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Mixed Valence ◽  
Oxidation States ◽  
Structural Refinement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Naturally Occurring ◽  
The One ◽  
Micro Analysis ◽  
Secondary Bonding

ABSTRACTThe crystal structure of tlapallite has been determined using single-crystal X-ray diffraction and supported by electron probe micro-analysis, powder diffraction and Raman spectroscopy. Tlapallite is trigonal, space groupP321, witha= 9.1219(17) Å,c= 11.9320(9) Å andV= 859.8(3) Å3, and was refined toR1= 0.0296 for 786 reflections withI> 2σ(I). This study resulted from the discovery of well-crystallised tlapallite at the Wildcat prospect, Utah, USA. The chemical formula of tlapallite has been revised to (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2·3H2O, or more simply (Ca,Pb)3CaCu6Te4+8Te6+2O30(SO4)2·3H2O, from H6(Ca,Pb)2(Cu,Zn)3(TeO3)4(TeO6)(SO4). The tlapallite structure consists of layers containing distorted Cu2+O6octahedra, Te6+O6octahedra and Te4+O4disphenoids (which together form the new mixed-valence phyllotellurate anion [Te4+3Te6+O12]12−), Te4+O3trigonal pyramids and CaO8polyhedra. SO4tetrahedra, Ca(H2O)3O6polyhedra and H2O groups fill the space between the layers. Tlapallite is only the second naturally occurring compound containing tellurium in both the 4+and 6+oxidation states with a known crystal structure, the other being carlfriesite, CaTe4+2Te6+O8. Carlfriesite is the predominant secondary tellurium mineral at the Wildcat prospect. We also present an updated structure for carlfriesite, which has been refined toR1= 0.0230 for 874 reflections withI> 2σ(I). This updated structural refinement improves upon the one reported previously by refining all atoms anisotropically and presenting models of bond valence and Te4+secondary bonding.

Crystal structure of 2,3-Dichloro-5,8-dihydroxynaphtho-1,4-quinone

1978 ◽  
Vol 31 (3) ◽  
pp. 555 ◽  
Author(s):  
GI Feutrill ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Benzene Ring ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
X Ray ◽  
The One ◽  
Least Squares Techniques

The crystal structure of the title compound has been determined at 295 K by single-crystal X-ray diffraction methods and refined by least- squares techniques to a residual of 0.049 for 1046 'observed' reflections. Crystals are monoclinic, P21/c, a 11.584(6), b 5.449(7), c 15.273(8) Ǻ, β 92.44(4)°, Z4. The pair of quinol hydrogen atoms are both located on the one benzene ring as the title indicates.

Errors in Residual Stress Measurements due to Random Counting Statistics

1970 ◽  
Vol 14 ◽  
pp. 377-388 ◽  
Author(s):  
C. J. Kelly ◽  
M. A. Short
Keyword(s):  
Residual Stress ◽  
Standard Deviation ◽  
Stress Measurement ◽  
Mathematical Expression ◽  
X Ray Diffraction ◽  
Intensity Maximum ◽  
X Ray ◽  
Diffraction Angle ◽  
Data Points ◽  
Counting Statistics

AbstractThe measurement of residual stress, using X-ray diffraction techniques, is based on the change in diffraction angle determined for the Intensity maximum of some suitable reflection from the sample when this is placed consecutively with its surface at two different angles to the diffracting planes. These diffraction angles may be obtained in a variety of ways, but are most often calculated from measurements of three X-ray diffraction intensities at angles selected in the immediate vicinity of the peak maximum at each sample angle and fitting each set of data to a parabolic curve. A simple mathematical expression may be derived relating the diffraction angles, and hence the residual stress, to the measured X-ray intensities; there will, however, be statistical errors in the calculated diffraction angles due to random counting errors in the measurement of the X-ray diffraction intensities. From the expression relating the residual stress to the X-ray intensities an equation has been derived giving the standard deviation in the residual stress due to random counting errors. In addition, a simple approximation has been obtained from this equation showing that the standard deviation is decreased by increasing the number of counts accumulated for each X-ray intensity measurement and by increasing the size of the angular increments between the data points. It will also be shown that, using the approximation, it is possible to estimate in advance the number of accumulated counts at each point necessary to attain a desired standard deviation in a residual stress measurement.

Preferred orientation of rapidly frozen metals

1982 ◽  
Vol 60 (12) ◽  
pp. 1720-1724 ◽  
Author(s):  
N. W. Blake ◽  
R. W. Smith
Keyword(s):  
Crystal Structure ◽  
Melt Spinning ◽  
Preferred Orientation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Zinc Ribbon ◽  
Thin Tape

When metals are rapidly frozen, a preferred orientation may be observed in the grains of the chilled surface. The extent and stability of this preferred orientation has been examined, using X-ray diffraction, for a variety of metals produced by melt-spinning i.e., by directing a fine stream of liquid against a rapidly rotating copper drum to produce a thin tape. It is shown that metals with a hcp crystal structure tend to display the greatest degree of preferred orientation. In particular, the degree of preferred orientation displayed by as-spun zinc ribbon is such that it could be used as an inexpensive crystal analyser for X-ray diffraction, comparing favourably with quartz.

Analysis of X-Ray Diffraction Data for the Characterization of Residual Stress

1991 ◽  
Vol 35 (A) ◽  
pp. 561-569
Author(s):  
Jun S. Park ◽  
James F. Shackelford
Keyword(s):  
Residual Stress ◽  
Elastic Constants ◽  
Diffraction Data ◽  
Stress Gradient ◽  
Bearing Steel ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Angle ◽  
Stress States ◽  
Depth Ranges

AbstractThe analysis of linear dϕψ vs sin2ψ x-ray diffraction data in isotropic single phase materials was investigated for the evaluation of x-ray elastic constants. This study developed an experimental model for estimating x-ray elastic constants based on the analysis of biaxial residual stress states, A ball bearing steel and a 1018 steel weldment were evaluated.In a second study, the measurement of residual stress gradients was evaluated for those depth ranges mat can not be evaluated with a single radiation. This requires various planes and radiation energies to obtain the simultaneous conditions of high diffraction angle and large x-ray penetration depth. The evaluation of the overlapped stress gradient region is illustrated in terms of x-ray energy and diffraction angle for the ease of iron. This analysis is specifically developed for the purpose of stress gradient measurement using synchrotron radiation.

Antofagastaite, Na2Ca(SO4)2·1.5H2O, a new mineral related to syngenite

2019 ◽  
Vol 83 (6) ◽  
pp. 781-790
Author(s):  
Igor V. Pekov ◽  
Vadim M. Kovrugin ◽  
Oleg I. Siidra ◽  
Nikita V. Chukanov ◽  
Dmitry I. Belakovskiy ◽  
...  
Keyword(s):  
Crystal Structure ◽  
New Mineral ◽  
Formula Unit ◽  
X Ray Diffraction ◽  
Xrd Pattern ◽  
X Ray ◽  
Quartz Veins ◽  
Tolbachik Volcano ◽  
Mohs Hardness ◽  
The One

AbstractThe new mineral antofagastaite, ideally Na2Ca(SO4)2·1.5H2O, was found in the oxidation zone of sulfide–quartz veins at the abandoned Coronel Manuel Rodríguez mine, Mejillones, Antofagasta Province, Antofagasta Region, Chile. It is associated with sideronatrite, metasideronatrite, aubertite, gypsum, ferrinatrite, glauberite, amarillite and an unidentified Fe phosphate. Antofagastaite occurs as prismatic crystals up to 0.5 mm × 1 mm × 5 mm, elongated along [010], typically combined in open-work aggregates up to 1 cm across. Antofagastaite is transparent and colourless, with vitreous lustre. It is brittle; the Mohs’ hardness isca3. Cleavage is distinct on (001).Dmeas.is 2.42(1) andDcalc.is 2.465 g cm−3. Antofagastaite is optically biaxial (–), α = 1.489(2), β = 1.508(2), γ = 1.510(2) and 2Vmeas.= 40(10)°. The IR spectrum is reported. Chemical composition (wt.%, electron microprobe, H2O determined by gas chromatography) is: Na2O 20.85, CaO 17.42, SO352.56, H2O 7.93, total 98.76. The empirical formula (based on 8 O atoms belonging to sulfate anions per formula unit with all H belonging to H2O molecules) is Na2.06Ca0.95S2.01O8·1.35H2O. Antofagastaite is monoclinic,P21/m,a= 6.4596(4),b= 6.8703(5),c= 9.4685(7) Å, β = 104.580(4)°,V= 406.67(5) Å3andZ= 2. The strongest reflections of the powder XRD pattern [d, Å (I, %) (hkl)] are: 9.17 (100) (001), 5.501 (57) (011), 3.437 (59) (020), 3.058 (43) (003), 2.918 (50) (2¯11), 2.795 (35) (013) and 2.753 (50) (121, 201). The crystal structure was solved based on single-crystal X-ray diffraction data,R1= 5.71%. The structure of antofagastaite consists of ordered and disordered blocks and is related to syngenite K2Ca(SO4)2·H2O. Incorporation of additional H2O molecules in the syngenite-type structure results in disorder of the one of the two tetrahedral sulfate groups occurring in antofagastaite. In addition to the above-reported type material, antofagastaite together with syngenite and blödite occurs in the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia.

Aspects of Residual Stress Determination Using Energy-Dispersive Synchrotron X-Ray Diffraction

2006 ◽  
Vol 524-525 ◽  
pp. 267-272 ◽  
Author(s):  
Axel Steuwer ◽  
Matthew J. Peel ◽  
Thomas Buslaps
Keyword(s):  
Residual Stress ◽  
Energy Dispersive ◽  
Stress Determination ◽  
X Ray Diffraction ◽  
Residual Stress Determination ◽  
X Ray ◽  
Gauge Volume ◽  
Diffraction Angle ◽  
Instrumental Resolution ◽  
Very High

In this paper we discuss certain aspects of residual stress measurements using energy-dispersive synchrotron X-ray diffraction using very high X-ray energies in the range up to 200keV. In particular, we focus on the strain resolution and its relation to the geometric contribution to the instrumental resolution. This energy range together with the brilliance of insertion devices allows measurements in bulk materials with penetration approaching those of neutrons, and the technique is demonstrated to have a high potential for residual stress determination. However, the use of high X-ray energies implies a relatively small diffraction angle and in turn a relatively elongated gauge volume, which favours the application of the technique to essentially 2D problems.

Crystal structure of Bis(tri-2-pyridylamine)iron(II) diperchlorate

1978 ◽  
Vol 31 (1) ◽  
pp. 53 ◽  
Author(s):  
ES Kucharski ◽  
WR McWhinnie ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Metal Atom ◽  
Title Compound ◽  
Complex Cation ◽  
X Ray Diffraction ◽  
Tridentate Ligands ◽  
X Ray ◽  
The One

The crystal structure of the title compound, [Fe((C5H4N)3N)2] (ClO4)2, has been determined by single-crystal X-ray diffraction at 295 K and refined by least squares to a residual of 0.059 (1995 'observed' reflections). Crystals are monoclinic, P21/a, a 12.815(4), b 17.503(7), c 8.318(3) Ǻ, β 121.38(3)°, Z 2. The complex cation lies with the metal atom on a centre of symmetry, the metal being six-coordinate, so that only one of the tridentate ligands is crystallographically independent. The geometry about the metal atom deviates only trivially from octahedral, <N-Fe-N> within the one ligand being 88.1°. <Fe-N> is 1.982 Ǻ.

The Crystal Structure of Indospicine Hydrochloride Hydrate

1992 ◽  
Vol 45 (6) ◽  
pp. 1021 ◽  
Author(s):  
MP Hegarty ◽  
CHL Kennard ◽  
KA Byriel ◽  
G Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Amino Acid ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
A Cell ◽  
Independent Molecules ◽  
The One

The crystal structure of the hepatotoxic amino acid indospicine [L-6-amidino-2-aminohexanoic acid, (S)-2,7-diamino-7-iminoheptanoic acid], as its hydrochloride hydrate, has been determined by X-ray diffraction and refined to a residual R 0.036 for 845 observed reflections collected at 173 K. Crystals are orthorhombic, space group P 22121 with 8 molecules in a cell of dimensions a 5.1541(4), b 14.083(1), c 31.781(3) � . The structure is consistent with the one previously derived from chemical data but with the presence of a terminal amidinium ion and an α-amino acid zwitterion pair. The two independent molecules in the asymmetric unit are conformationally different and form a head-to-tail packing motif linked by NH(amidino)…O(carboxyl) hydrogenbonds (N…O,2.80, 2.85 � ). The structure also features extensive hydrogen bonding involving the water of solvation.

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