Obtaining the structure factors for an epitaxial film using Cu X-ray radiation

2013 ◽  
Vol 46 (6) ◽  
pp. 1749-1754 ◽  
Author(s):  
P. Wadley ◽  
A. Crespi ◽  
J. Gázquez ◽  
M.A. Roldán ◽  
P. García ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thin Films ◽  
Structure Factor ◽  
Tetragonal Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Transmission Electron ◽  
Structure Factors ◽  
Scanning Transmission

Determining atomic positions in thin films by X-ray diffraction is, at present, a task reserved for synchrotron facilities. Here an experimental method is presented which enables the determination of the structure factor amplitudes of thin films using laboratory-based equipment (Cu Kα radiation). This method was tested using an epitaxial 130 nm film of CuMnAs grown on top of a GaAs substrate, which unlike the orthorhombic bulk phase forms a crystal structure with tetragonal symmetry. From the set of structure factor moduli obtained by applying this method, the solution and refinement of the crystal structure of the film has been possible. The results are supported by consistent high-resolution scanning transmission electron microscopy and stoichiometry analyses.

Effect of Dopants on the Band Structure of Barium Strontium Titanate Thin Films

2005 ◽  
Vol 872 ◽  
Author(s):  
Yuebing Zheng ◽  
Shijie Wang ◽  
Cheng Hon A. Huan
Keyword(s):  
Crystal Structure ◽  
Thin Films ◽  
Band Structure ◽  
Dopant Concentration ◽  
X Ray Diffraction ◽  
X Ray ◽  
Force Microscopy ◽  
Atomic Force ◽  
Barium Strontium ◽  
Transmission Electron

AbstractThe effect of dopants on the band structure and crystal structure of Ba0.5Sr0.5TiO3thin films on (100) LaAlO3 substrates has been investigated. The dopants include Ti, Mg and Al. The band-gap energies of the thin films were determined from the transmission spectra measured by UVVIS spectrophotometer and increased with the increase of dopant concentration regardless of the type of dopants. The crystal structure was studied by using transmission electron microscopy, atomic force microscopy, x-ray diffraction and micro-Raman spectroscopy. The relation between band structure and crystal structure was discussed.

Determination of Crystal Structure and Cation Distribution in Thin Films

1991 ◽  
Vol 35 (A) ◽  
pp. 151-157
Author(s):  
G. Will ◽  
T. C. Huang ◽  
F. Sequeda
Keyword(s):  
Crystal Structure ◽  
Thin Films ◽  
Grazing Incidence ◽  
High Tech ◽  
X Ray Diffraction ◽  
X Ray ◽  
Depth Profiles ◽  
Scanning Geometry

The structural characterization of thin films is important for research development and manufacturing of electronic, magnetic, optical, and other high-tech materials. The grazing incidence X-ray diffraction technique has bean used successfully for the determination of crystalline phases, structural-depth profiles, crystallite size, and strain, etc. of thin films with thickness's down to a few tens of Å, If the crystal structure, e.g. the distribution of atoms in the unit cell, or the crystallinity and texture (or preferred orientation) of a film is of interest, the conventional Bragg-Brentano diffractometer technique with the θ-2θ scanning geometry has been found to be appropriate.

Characterization of Aluminium Titanium Nitride Thin Films Deposited by Reactive Magnetron Co-Sputtering

2010 ◽  
Vol 93-94 ◽  
pp. 340-343 ◽  
Author(s):  
Adisorn Buranawong ◽  
Surasing Chaiyakhun ◽  
Pichet Limsuwan
Keyword(s):  
Crystal Structure ◽  
Thin Films ◽  
Titanium Nitride ◽  
Deposition Time ◽  
Reactive Magnetron ◽  
X Ray Diffraction ◽  
X Ray ◽  
Constant Flow Rate ◽  
Transmission Electron

Nanocrystalline aluminium titanium nitride (AlTi3N) thin films were deposited on Si (100) wafers and grids by reactive magnetron co-sputtering technique using titanium and aluminium targets. The films were sputtered in Ar and N2 mixture at a constant flow rate under different conditions of deposition time ranging from 15 to 60 minutes. The crystal structure was characterized by X-Ray diffraction (XRD) and microstructure was analyzed by transmission electron microscopy (TEM). The results indicated that the formation of polycrystalline AlTi3N with the orthorhombic structure and the development of crystal structure was observed by varied the deposition time. The microstructure of films was good according to the XRD results. On the other hand, after annealed the films at 500OC in the air for 1 hour, the crystal structure did not change that exposed the stable structure of AlTi3N films.

scholarly journals Pirquitasite, Ag2ZnSnS4

2013 ◽  
Vol 69 (2) ◽  
pp. i8-i9 ◽  
Author(s):  
Benjamin N. Schumer ◽  
Robert T. Downs ◽  
Kenneth J. Domanik ◽  
Marcelo B Andrade ◽  
Marcus J. Origlieri
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
General Formula ◽  
Diffraction Data ◽  
The Other ◽  
Tetragonal Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Anisotropic Displacement Parameters

Pirquitasite, ideally Ag2ZnSnS4(disilver zinc tin tetrasulfide), exhibits tetragonal symmetry and is a member of the stannite group that has the general formulaA2BCX4, withA= Ag, Cu;B= Zn, Cd, Fe, Cu, Hg;C= Sn, Ge, Sb, As; andX= S, Se. In this study, single-crystal X-ray diffraction data are used to determine the structure of pirquitasite from a twinned crystal from the type locality, the Pirquitas deposit, Jujuy Province, Argentina, with anisotropic displacement parameters for all atoms, and a measured composition of (Ag1.87Cu0.13)(Zn0.61Fe0.36Cd0.03)SnS4. One Ag atom is located on Wyckoff site Wyckoff 2a(symmetry -4..), the other Ag atom is statistically disordered with minor amounts of Cu and is located on 2c(-4..), the (Zn, Fe, Cd) site on 2d(-4..), Sn on 2b(-4..), and S on general site 8g. This is the first determination of the crystal structure of pirquitasite, and our data indicate that the space group of pirquitasite isI-4, rather thanI-42mas previously suggested. The structure was refined under consideration of twinning by inversion [twin ratio of the components 0.91 (6):0.09 (6)].

Direct observation of an ordered arrangement of vacancies and large local thermal vibration in rhenium silicide by Cs-corrected STEM

2011 ◽  
Vol 1295 ◽  
Author(s):  
Shunta Harada ◽  
Katsushi Tanaka ◽  
Kyosuke Kishida ◽  
Norihiko L Okamoto ◽  
Noriaki Endo ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Spherical Aberration ◽  
Thermal Vibration ◽  
X Ray Diffraction ◽  
Simulated Image ◽  
X Ray ◽  
Transmission Electron ◽  
Scanning Transmission

ABSTRACTThe crystal structure of thermoelectric rhenium silicide with an ordered arrangement of vacancies is investigated by utilizing spherical aberration (Cs) corrected scanning transmission electron microscopy (STEM) combined with synchrotron X-ray diffraction and conventional transmission electron microscopy. By STEM Cs corrected imaging, we can clearly observe Si vacancies in rhenium silicide, which is impossible without Cs correction. In addition, significantly reduced contrast levels are noted in STEM images for particular Si sites near vacancies. From the STEM image simulation, the reduced contrast levels are concluded to be due to anomalously large local thermal vibration of these Si atoms. The crystal structure of rhenium silicide can be successfully refined by the synchrotron X-ray diffraction starting with the deduced structure model from the STEM images and the occurrence of large local thermal vibration can be qualitatively confirmed. Furthermore, we confirm the validity of the refined crystal structure of rhenium silicide by comparing experimental images with simulated image generating with the refined crystal structure parameters.

Palladium Nanowire Thin Films via Template Growth

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.

Crystal structure determination of the conformation of two bicyclo[3.3.1]nonan-ones

1985 ◽  
Vol 63 (6) ◽  
pp. 1166-1169 ◽  
Author(s):  
John F. Richardson ◽  
Ted S. Sorensen
Keyword(s):  
Crystal Structure ◽  
Direct Methods ◽  
Chair Conformation ◽  
Molecular Structures ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Final Agreement

The molecular structures of exo-7-methylbicyclo[3.3.1]nonan-3-one, 3, and the endo-7-methyl isomer, 4, have been determined using X-ray-diffraction techniques. Compound 3 crystallizes in the space group [Formula: see text] with a = 15.115(1), c = 7.677(2) Å, and Z = 8 while 4 crystallizes in the space group P21 with a = 6.446(1), b = 7.831(1), c = 8.414(2) Å, β = 94.42(2)°, and Z = 2. The structures were solved by direct methods and refined to final agreement factors of R = 0.041 and R = 0.034 for 3 and 4 respectively. Compound 3 exists in a chair–chair conformation and there is no significant flattening of the chair rings. However, in 4, the non-ketone ring is forced into a boat conformation. These results are significant in interpreting what conformations may be present in the related sp2-hybridized carbocations.

Crystal structure determination of solar cell materials: Cu2ZnSnS4 thin films using X-ray anomalous dispersion

2012 ◽  
Vol 524 ◽  
pp. 22-25 ◽  
Author(s):  
Hiroshi Nozaki ◽  
Tatsuo Fukano ◽  
Shingo Ohta ◽  
Yoshiki Seno ◽  
Hironori Katagiri ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thin Films ◽  
Solar Cell ◽  
Structure Determination ◽  
Anomalous Dispersion ◽  
Crystal Structure Determination ◽  
X Ray
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