scholarly journals Modelling of the X-ray diffraction curves from the proton-exchange layers of a lithium niobate monocrystal

2020 ◽  
pp. 17-28
Author(s):  
O. R. Semenova ◽  
◽  
A. V. Sosunov ◽  
А. I. Churakova ◽  
◽  
...  
Keyword(s):  
Lithium Niobate ◽  
Crystal Lattice ◽  
Proton Exchange ◽  
Waveguide Layer ◽  
Diffraction Reflection ◽  
X Ray Diffraction ◽  
Crystalline Phases ◽  
X Ray ◽  
Proton Implantation ◽  
Mode Spectroscopy

In this work, within the framework of the dynamic theory of the X-ray scattering, a model is constructed that describes the diffraction reflection curves obtained from the proton-exchange layers of a lithium niobate monocrystal subjected to the post-exchange annealing. Planar proton-exchange waveguides based on the X-cut of the lithium niobate monocrystal are obtained experimentally. It was shown that the proton implantation leads to the formation of the new crystalline phases with a larger lattice parameter. The structure changes (by the method of the diffraction structural analysis) and the optical properties (by the method of the mode spectroscopy) of the obtained waveguides are investigated in the various temperature regimes. The microstrain of the crystal lattice caused by еру proton implantation was estimated by the analysis of X-ray diffraction line broadening. It is shown the thickness of the waveguide layer and the number of new crystalline phases depend not only on the temperature regime of the proton exchange, but also on the duration of post-exchange annealing. The simulation of the experimentally obtained curves of the diffraction reflection is carried out within the framework of the described model. As a result of the modeling, the depth of the waveguide layer was determined, which is consistent with the data obtained by the method of the mode spectroscopy. The models of the assumed profiles of the crystal lattice deformation caused by proton implantation are presented. The average values of the lattice microstrain and the phase composition of proton-exchange lithium niobate layers are determined.

scholarly journals X-RAY studies of ferroelectric lithium niobate crystals doped with rare earth elements

2021 ◽  
Vol 12 (2-2021) ◽  
pp. 114-119
Author(s):  
A. V. Kadetova ◽  
◽  
M. N. Palatnikov ◽  
O. V. Sidorova ◽  
D. A. Vorobyov ◽  
...  
Keyword(s):  
Rare Earth ◽  
Lithium Niobate ◽  
Rare Earth Elements ◽  
Crystal Lattice ◽  
Polar Axis ◽  
X Ray Diffraction ◽  
Defect Region ◽  
X Ray ◽  
Structural Distortions ◽  
Lithium Niobate Crystals

The lattice structural distortions of LiNbO3 crystals doped with samarium with a concentration of 1.0, 1.9, 2.5 mol. % were studied by X-ray diffraction methods. It was found that the samarium atoms and some of the niobium atoms occupied the vacant positions of lithium in the crystal lattice, and some of the niobium atoms were located in the empty octahedron. The octahedra of SmLiO6 was distorted more strongly than octahedra of NbLiO6 when niobium atoms entered the vacant positions of lithium. The smallest changes in the bond lengths in the octahedra of the main motif and in the defect region as well as along the polar axis in the lithium niobate lattice were observed in the sample with a samarium concentration of 2.5 mol. %.

Raman spectroscopy and X-ray diffraction of lithium niobate at temperatures up to 1300○-4.80pt○C

2005 ◽  
Vol 126 ◽  
pp. 101-105 ◽  
Author(s):  
B. Moulin ◽  
L. Hennet ◽  
D. Thiaudière ◽  
P. Melin ◽  
P. Simon
Keyword(s):  
Raman Spectroscopy ◽  
Lithium Niobate ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Crystallographic and optical study of LiNb1 − xTaxO3

2017 ◽  
Vol 73 (3) ◽  
pp. 498-506 ◽  
Author(s):  
S. Huband ◽  
D. S. Keeble ◽  
N. Zhang ◽  
A. M. Glazer ◽  
A. Bartasyte ◽  
...  
Keyword(s):  
Phase Transition ◽  
Lithium Niobate ◽  
Lithium Tantalate ◽  
Flux Growth ◽  
Structural Studies ◽  
Optical Study ◽  
X Ray Diffraction ◽  
Growth Technique ◽  
X Ray ◽  
Li Content

Powders of lithium niobate-tantalate across the full compositional range have been made and crystals grown using a lithium vanadate flux growth technique. The Li-content of a lithium tantalate crystal has been determined using the zero-birefringence temperature and Curie measurements, confirming the Li content is between that of congruent and stoichiometric crystals. X-ray diffraction measurements show the Nb/Ta displacement and octahedral tilt both decrease as the Ta content is increased. This also results in a decrease in the lattice parameters from lithium niobate to lithium tantalate. Birefringence measurements on the crystals as a function of temperature have been used to determine the point that the crystals become zero-birefringent, and by comparison with the structural studies have confirmed that it is not related to a phase transition and the structures remain polar through the zero-birefringence points.

Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA

CrystEngComm ◽  
2021 ◽  
Author(s):  
Jonathan Richardson ◽  
Asato Mizuno ◽  
Yoshiaki Shuku ◽  
Kunio Awaga ◽  
Neil Robertson ◽  
...  
Keyword(s):  
High Pressure ◽  
Crystal Lattice ◽  
Structural Response ◽  
Pressure Response ◽  
Organic Radical ◽  
X Ray Diffraction ◽  
X Ray

Magnetic bistability has previously been observed and evaluated in an organic thiazyl radical 1,3,5 triathia 2,4,6-triazapentalenyl (TTTA). Herein, the structure-pressure response of TTTA has been evaluated by X-ray diffraction, where...

Thermal stability and miscibility of co-evaporated methyl ammonium lead halide (MAPbX3, X = I, Br, Cl) thin films analysed by in situ X-ray diffraction

2018 ◽  
Vol 6 (24) ◽  
pp. 11496-11506 ◽  
Author(s):  
Paul Pistor ◽  
Thomas Burwig ◽  
Carlo Brzuska ◽  
Björn Weber ◽  
Wolfgang Fränzel
Keyword(s):  
Thin Films ◽  
Thermal Stability ◽  
Thermal Treatment ◽  
Phase Evolution ◽  
X Ray Diffraction ◽  
Crystalline Phases ◽  
X Ray ◽  
Subsequent Thermal Treatment ◽  
Lead Halide

We present the identification of crystalline phases by in situ X-ray diffraction during growth and monitor the phase evolution during subsequent thermal treatment of CH3NH3PbX3 (X = I, Br, Cl) perovskite thin films.

scholarly journals Magnetically Oriented Powder Crystal to Indexing and Structure Determination

2014 ◽  
Vol 70 (a1) ◽  
pp. C1560-C1560
Author(s):  
Fumiko Kimura ◽  
Wataru Oshima ◽  
Hiroko Matsumoto ◽  
Hidehiro Uekusa ◽  
Kazuaki Aburaya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Lattice ◽  
Powder Diffraction ◽  
Diffraction Method ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal Lattice Parameters

In pharmaceutical sciences, the crystal structure is of primary importance because it influences drug efficacy. Due to difficulties of growing a large single crystal suitable for the single crystal X-ray diffraction analysis, powder diffraction method is widely used. In powder method, two-dimensional diffraction information is projected onto one dimension, which impairs the accuracy of the resulting crystal structure. To overcome this problem, we recently proposed a novel method of fabricating a magnetically oriented microcrystal array (MOMA), a composite in which microcrystals are aligned three-dimensionally in a polymer matrix. The X-ray diffraction of the MOMA is equivalent to that of the corresponding large single crystal, enabling the determination of the crystal lattice parameters and crystal structure of the embedded microcrytals.[1-3] Because we make use of the diamagnetic anisotropy of crystal, those crystals that exhibit small magnetic anisotropy do not take sufficient three-dimensional alignment. However, even for these crystals that only align uniaxially, the determination of the crystal lattice parameters can be easily made compared with the determination by powder diffraction pattern. Once these parameters are determined, crystal structure can be determined by X-ray powder diffraction method. In this paper, we demonstrate possibility of the MOMA method to assist the structure analysis through X-ray powder and single crystal diffraction methods. We applied the MOMA method to various microcrystalline powders including L-alanine, 1,3,5-triphenyl benzene, and cellobiose. The obtained MOMAs exhibited well-resolved diffraction spots, and we succeeded in determination of the crystal lattice parameters and crystal structure analysis.

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