X-ray Diffraction, X-ray Photoelectron Spectra, Crystal Structure, and Optical Properties of Centrosymmetric Strontium Borate Sr2B16O26

2009 ◽  
Vol 113 (27) ◽  
pp. 9161-9167 ◽  
Author(s):  
Ali Hussain Reshak ◽  
S. Auluck ◽  
I. V. Kityk ◽  
Xuean Chen
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Photoelectron Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Strontium Borate

scholarly journals Study on the Electrical, Structural, Chemical and Optical Properties of PVD Ta(N) Films Deposited with Different N2 Flow Rates

Coatings ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 937
Author(s):  
Yingying Hu ◽  
Md Rasadujjaman ◽  
Yanrong Wang ◽  
Jing Zhang ◽  
Jiang Yan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Photoelectron Spectroscopy ◽  
Crystal Size ◽  
Silicon Substrates ◽  
X Ray Diffraction ◽  
Dc Magnetron Sputtering ◽  
Flow Rates ◽  
X Ray ◽  
N2 Flow Rate

By reactive DC magnetron sputtering from a pure Ta target onto silicon substrates, Ta(N) films were prepared with different N2 flow rates of 0, 12, 17, 25, 38, and 58 sccm. The effects of N2 flow rate on the electrical properties, crystal structure, elemental composition, and optical properties of Ta(N) were studied. These properties were characterized by the four-probe method, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and spectroscopic ellipsometry (SE). Results show that the deposition rate decreases with an increase of N2 flows. Furthermore, as resistivity increases, the crystal size decreases, the crystal structure transitions from β-Ta to TaN(111), and finally becomes the N-rich phase Ta3N5(130, 040). Studying the optical properties, it is found that there are differences in the refractive index (n) and extinction coefficient (k) of Ta(N) with different thicknesses and different N2 flow rates, depending on the crystal size and crystal phase structure.

Crystal Structure, Optical Properties of Molecular Crystals 1, 3-propanediol Bis(4-aminobenzoate)

2014 ◽  
Vol 1052 ◽  
pp. 207-211
Author(s):  
Rui Ting Xue ◽  
Wei Song Sun ◽  
Si Rong Yu
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Density Functional ◽  
Molecular Crystals ◽  
Density Functional Theory Method ◽  
Theory Method ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray ◽  
The Density Functional Theory

The crystal structure of 1, 3-propanediol bis (4-aminobenzoate) has been determined by single crystal X-ray diffraction. The UV-vis spectra have been characterized experimentally. The nonlinear optical properties were investigated with the density functional theory method. The calculated first hyperpolarizability values are 7.69×10-30, 14.22×10-30 and 26.66×10-30 esu for the monomer, dimmer and trimer structure of the compound. The results show that the compound has high hyperpolarizability and the hyperpolarizability multipled along with the increasing number of the molecules.

Li4Ru2OCl10·10H2O: crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes

2020 ◽  
Vol 76 (5) ◽  
pp. 884-891
Author(s):  
Ranuri S Dissanayaka Mudiyanselage ◽  
Madalynn Marshall ◽  
Tai Kong ◽  
Weiwei Xie
Keyword(s):  
Crystal Structure ◽  
Magnetic Measurements ◽  
Theoretical Calculations ◽  
Photoelectron Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Triclinic Structure ◽  
Molecular Orbital Analysis ◽  
Low Symmetry ◽  
Orbital Analysis

The results of the structural determination, magnetic characterization, and theoretical calculations of a new ruthenium-oxo complex, Li4[Ru2OCl10]·10H2O, are presented. Single crystals were grown using solvent methods and the crystal structure was characterized by single crystal X-ray diffraction. Li4[Ru2OCl10]·10H2O crystallizes into a low-symmetry triclinic structure (P 1) due to the much smaller Li+ cation compared to K+ cation in the tetragonal complex K4[Ru2OCl10]·H2O. The X-ray photoelectron spectra confirm only the single valent Ru4+ in Li4[Ru2OCl10]·10H2O even though two distinct Ru sites exist in the crystal structure. Magnetic measurements reveal the diamagnetic property of Li4[Ru2OCl10]·10H2O with unpaired electrons existing on Ru4+. Furthermore, the molecular orbital analysis matches well with the observed UV and magnetic measurements.

The crystal structure, linear and nonlinear optical properties of 3-Aminonitrobenzene for photonic application — A combined experimental and theoretical investigation

2019 ◽  
Vol 28 (03) ◽  
pp. 1950028
Author(s):  
A. Arputha Latha ◽  
M. Anbuchezhiyan
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Nonlinear Optical ◽  
Molecular Level ◽  
Nonlinear Optical Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Linear And Nonlinear

Optically transparent good quality single crystal of 3-Aminonitrobenzene (3-ANB) was grown by slow evaporation technique using methanol as solvent. The grown crystal was subjected to single crystal X-ray diffraction analysis in order to reveal its cell parameters, crystal structure and space group. Powder X-ray diffraction analysis was carried out in order to verify the crystalline nature. UV-Vis study was carried out to measure the optical transparency of the title material and also optical band gap was determined from the transmittance window. The existence of second harmonic generation (SHG) in the title material was confirmed by Kurtz–Perry powder technique. In order to throw light on the crystal structure, linear and nonlinear optical properties at molecular level, Density Functional Theory (DFT) was employed using B3LYP/6[Formula: see text]G (d, p) level of basis set. The DFT study illustrates the HOMO–LUMO energy gap analysis and the existence of SHG behavior of 3-ANB at molecular level.

Influence of N2 Flows on Sputtered Ta(N) films: Electrical, Structural, Chemical and Optical Properties

2021 ◽  
Author(s):  
Yingying Hu ◽  
Md Rasadujjaman ◽  
Yanrong Wang ◽  
Jing Zhang ◽  
Jiang Yan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Flow Rate ◽  
Photoelectron Spectroscopy ◽  
Crystal Size ◽  
Silicon Substrates ◽  
X Ray Diffraction ◽  
Dc Magnetron Sputtering ◽  
X Ray ◽  
N2 Flow Rate

By reactive DC magnetron sputtering from a pure Ta target onto silicon substrates, Ta(N) films were prepared with a different N2 flow rate of 0, 12, 17, 25, 38, 58 sccm. The effects of N2 flow rate on the electrical properties, crystal structure, elemental composition and optical properties of Ta(N) were studied. These properties were characterized by the four-probe method, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and spectroscopic ellipsometry (SE). Results show that the deposition rate decreases with an increase of the N2 flows. On the other hand, the resistivity increases, the crystal size decreases, and the crystal structure transitions from β-Ta to TaN(111), and finally becomes the N-rich phase Ta3N5 (130,040). Studying the optical properties, it is found that there are differences in the refractive index (n) and extinction coefficient (k) of Ta(N) with different thicknesses and different N2 flow rates, and dependent on the crystal size and crystal phase structure.

Structure Characterisation and Optical Properties of Eu3+-Doped LaAlO3

2013 ◽  
Vol 745-746 ◽  
pp. 136-141 ◽  
Author(s):  
Gang Wu ◽  
Hong Mei Deng ◽  
Nuo Fan Ding ◽  
Hu Rui Yan ◽  
Ping Xiong Yang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Reflection Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Liquid Mixing ◽  
Mixing Method ◽  
Higher Temperature ◽  
Xrd Patterns

In this paper, Eu3+-doped LaAlO3 powders which with the concentration of Eu3+ in the range of 0~5% were prepared by a new liquid mixing method. The structure of the LaAlO3 powders were investigated by X-ray diffraction (XRD), and the influence of the increase of temperature on the crystal structure were also studied. We found that the powders crystallized above 800 which means higher temperature can improve the crystallization. The influences of the increasing Eu3+ concentration were also studied through the XRD patterns. The average sizes of the samples were also calculated by the Sherrer equation. The optical properties of different concentration of Eu3+-doped LaAlO3 particles were investigated through the reflection spectra.

Crystal structure of an inclusion complex between chiral monoaza-15-crown-5 and S(–)-1-phenyl-ethyl ammonium percholorate

2003 ◽  
Vol 218 (5) ◽  
Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören
Keyword(s):  
Crystal Structure ◽  
Inclusion Complex ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Type

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group

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