THEORETICAL STUDY ON INTERMEDIATE VALENCE FLUCTUATION IN EUROPIUM SULPHIDE (EuS)

2011 ◽  
Vol 25 (27) ◽  
pp. 3663-3670
Author(s):  
S. ARIPONNAMMAL ◽  
S. K. RATHIHA
Keyword(s):  
Charge Transfer ◽  
Theoretical Study ◽  
Energy Gap ◽  
Structural Phase ◽  
Intermediate Valence ◽  
X Ray Diffraction ◽  
Valence Fluctuation ◽  
Valence Transition ◽  
X Ray ◽  
Structure Factors

Europium chalcogenides receive greater interest because of their interesting properties such as valence transition, semiconductor to metallic transition and structural phase transition etc. In this paper, the charge transfer in Europium Sulphide ( EuS ) is analyzed by experimental and theoretical X-ray diffraction (XRD) data. The direction and amount of charge transfer are inferred by plotting and comparing the structure factors of the components. The charge transfer parameter thus obtained is 0.29 electron from Eu to S which confirms the intermediate valence fluctuation. Further, the charge transfer in EuS , EuSe and EuTe , is found to be decreasing with the increase of lattice constant and energy gap which correlates the valency and lattice size.

scholarly journals Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)2-BA

2011 ◽  
Vol 67 (3) ◽  
pp. 244-249 ◽  
Author(s):  
Pilar García-Orduña ◽  
Slimane Dahaoui ◽  
Claude Lecomte
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Charge Transfer ◽  
Room Temperature ◽  
Charge Transfer Complex ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Donor And Acceptor ◽  
A Charge

The crystal structure of the 2:1 charge-transfer complex of tetrathiafulvalene [2,2′-bis(1,3-dithiolylidene)] and bromanil (tetrabromo-1,4-benzoquinone) [(TTF)2-BA, (C6H4S4)2–C6Br4O2] has been determined by X-ray diffraction at room temperature, 100 and 25 K. No structural phase transition occurs in the temperature range studied. The crystal is made of TTF–BA–TTF sandwich trimers. A charge-transfer estimation between donor and acceptor (0.2 e) molecules is proposed in comparison to the molecular geometries of TTF–BA and TTF and BA isolated molecules. Displacement parameters of the molecules have been modeled with the TLS formalism.

Study on Intermediate Valence Fluctuation in Samarium Telluride (SmTe)

2008 ◽  
Vol 63 (7-8) ◽  
pp. 519-522 ◽  
Author(s):  
Shanmuga Sundaram Ariponnammal ◽  
Somasundarapandian Kameswaran Rathika
Keyword(s):  
Charge Transfer ◽  
Powder Diffraction ◽  
Structure Factor ◽  
Intermediate Valence ◽  
Valence Fluctuation ◽  
X Ray

Intermediate valence fluctuation of samarium telluride (SmTe) is analyzed by charge transfer calculation using experimental and theoretical X-ray powder diffraction (XRPD) data. The direction and amount of charge transfer are determined by plotting and comparing the structure factor components. The charge transfer thus obtained for SmTe is 0.11 electrons from Sm to Te.

Isomorphous replacement in electron diffraction of wet crystals of rat hemoglobin

1983 ◽  
Vol 41 ◽  
pp. 446-447
Author(s):  
William F. Tivol ◽  
Murray Vernon King ◽  
D. F. Parsons
Keyword(s):  
Electron Diffraction ◽  
Heavy Atom ◽  
Isomorphous Substitution ◽  
X Ray Diffraction ◽  
Salt Solutions ◽  
X Ray ◽  
Isomorphous Replacement ◽  
Structure Factors ◽  
Diffraction Structure ◽  
The Mean

Feasibility of isomorphous substitution in electron diffraction is supported by a calculation of the mean alteration of the electron-diffraction structure factors for hemoglobin crystals caused by substituting two mercury atoms per molecule, following Green, Ingram & Perutz, but with allowance for the proportionality of f to Z3/4 for electron diffraction. This yields a mean net change in F of 12.5%, as contrasted with 22.8% for x-ray diffraction.Use of the hydration chamber in electron diffraction opens prospects for examining many proteins that yield only very thin crystals not suitable for x-ray diffraction. Examination in the wet state avoids treatments that could cause translocation of the heavy-atom labels or distortion of the crystal. Combined with low-fluence techniques, it enables study of the protein in a state as close to native as possible.We have undertaken a study of crystals of rat hemoglobin by electron diffraction in the wet state. Rat hemoglobin offers a certain advantage for hydration-chamber work over other hemoglobins in that it can be crystallized from distilled water instead of salt solutions.

Highlights in the history of X-ray topography1

1995 ◽  
Vol 210 (6) ◽  
Author(s):  
A. R. Lang
Keyword(s):  
Magnetic Domain ◽  
Diffraction Theory ◽  
Dislocation Loops ◽  
X Ray Diffraction ◽  
X Ray ◽  
Domain Structures ◽  
Structure Factors ◽  
History Of ◽  
Dislocation Sources ◽  
Non Destructive

AbstractX-ray topography provides a non-destructive method of mapping point-by-point variations in orientation and reflecting power within crystals. The discovery, made by several workers independently, that in nearly perfect crystals it was possible to detect individual dislocations by X-ray diffraction contrast started an epoch of rapid exploitation of X-ray topography as a new, general method for assessing crystal perfection. Another discovery, that of X-ray Pendellösung, led to important theoretical developments in X-ray diffraction theory and to a new and precise method for measuring structure factors on an absolute scale. Other highlights picked out for mention are studies of Frank-Read dislocation sources, the discovery of long dislocation helices and lines of coaxial dislocation loops in aluminium, of internal magnetic domain structures in Fe-3 wt.% Si, and of stacking faults in silicon and natural diamonds.

Temperature-induced structural phase transitions in RERhSn (RE = Y, Gd-Tm, Lu)

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Simon Engelbert ◽  
Rolf-Dieter Hoffmann ◽  
Jutta Kösters ◽  
Steffen Klenner ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Phase Transitions ◽  
Driving Force ◽  
Room Temperature ◽  
Structural Phase ◽  
Structural Phase Transitions ◽  
Line Broadening ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray

Abstract The structures of the equiatomic stannides RERhSn with the smaller rare earth elements Y, Gd-Tm and Lu were reinvestigated on the basis of temperature-dependent single crystal X-ray diffraction data. GdRhSn crystallizes with the aristotype ZrNiAl at 293 and 90 K. For RE = Y, Tb, Ho and Er the HP-CeRuSn type (approximant with space group R3m) is already formed at room temperature, while DyRhSn adopts the HP-CeRuSn type below 280 K. TmRhSn and LuRhSn show incommensurate modulated variants with superspace groups P31m(1/3; 1/3; γ) 000 (No. 157.1.23.1) (γ = 3/8 for TmRhSn and γ = 2/5 for LuRhSn). The driving force for superstructure formation (modulation) is a strengthening of Rh–Sn bonding. The modulation is expressed in a 119Sn Mössbauer spectrum of DyRhSn at 78 K through line broadening.

A Combination Method of Charge Density Measurement in Hard Materials Using Accurate, Quantitative Electron and X-ray Diffraction: The α-Al2O3 Case

2003 ◽  
Vol 9 (5) ◽  
pp. 419-427 ◽  
Author(s):  
Victor A. Streltsov ◽  
Philip N.H. Nakashima ◽  
Andrew W.S. Johnson
Keyword(s):  
Charge Density ◽  
Multiple Scattering ◽  
Density Measurement ◽  
Bloch Wave ◽  
Combination Method ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hard Materials ◽  
Structure Factors ◽  
Free Data

Current X-ray diffraction techniques intended for “ideally imperfect” specimens provide structure factors only on a relative scale and ever-present multiple scattering in strong low-angle Bragg reflections is difficult to correct. Multiple scattering is implicit in the quantitative convergent beam electron diffraction (QCBED) method, which provides absolutely scaled structure factors. Conventional single crystal X-ray diffraction has proved adequate in softer materials where crystal perfection is limited. In hard materials, the highly perfect nature of the crystals is often a difficulty, due to the inadequacy of the conventional corrections for multiple scattering (extinction corrections). The present study on α-Al2O3 exploits the complementarity of synchrotron X-ray measurements for weak and medium intensities and QCBED measurement of the strong low-angle reflections. Two-dimensional near zone axis QCBED data from different crystals at various accelerating voltages, thicknesses, and orientations have been matched using Bloch-wave and multislice methods. The reproducibility of QCBED data is better than 0.5%. The low-angle strong QCBED structure factors were combined with middle and high-angle extinction-free data from synchrotron X-ray diffraction measurements. Static deformation charge density maps for α-Al2O3 have been calculated from a multipole expansion model refined using the combined QCBED and X-ray data.

Homeotropic alignment through charge-transfer-induced columnar mesophase formation in an unsymmetrically substituted triphenylene derivative

2010 ◽  
Vol 82 (11) ◽  
pp. 1993-2003 ◽  
Author(s):  
Juanjuan Li ◽  
Zhiqun He ◽  
Huan Zhao ◽  
Hemant Gopee ◽  
Xiangfei Kong ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Charge Transfer Complex ◽  
X Ray Diffraction ◽  
Hexagonal Symmetry ◽  
X Ray ◽  
Mesophase Formation ◽  
Homeotropic Orientation ◽  
Donor Acceptor ◽  
Homeotropic Alignment ◽  
Spectroscopy Optical

An unsymmetrically substituted triphenylene, with two adjacent chloroethoxyethyl lateral flexible chains, was synthesized and characterized. Although this compound showed no mesomorphic behavior, it formed a donor–acceptor charge-transfer complex with 2,4,7-trinitrofluorenone (TNF). The resulting 1:1 complex has been investigated using UV–vis and IR spectroscopy, optical microscopy, thermal analysis, and X-ray diffraction. A columnar mesophase with hexagonal symmetry was found. More interestingly, this charge-transfer complex can be easily aligned on a glass surface in a homeotropic orientation, which is stable at room temperature (RT) and over a wide temperature range.

Structural-phase transition in (Cu2Te)2−x(ZnTe)x at high temperature

2021 ◽  
pp. 2150113
Author(s):  
H. B. Gasimov ◽  
R. M. Rzayev
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
High Temperature ◽  
Single Crystals ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Temperature Range ◽  
Xrd Study ◽  
Xrd Method

Cu2Te single crystal was grown by the Bridgman method. X-ray diffraction (XRD) study of Cu2Te single crystals in the temperature range of 293–893 K was performed and possible phase transitions in the mentioned range of temperature have been investigated. (Cu2Te)[Formula: see text](ZnTe)[Formula: see text] single crystals also were grown with [Formula: see text], 0.05, 0.10 concentrations and structural properties of the obtained single crystals were investigated by the XRD method in the temperature range 293–893 K. Lattice parameters and possible phase transitions in the mention temperature range were determined for (Cu2Te)[Formula: see text](ZnTe)[Formula: see text] single crystals for [Formula: see text], 0.05, 0.10 concentrations.

Effect of technological parameters of gas-dynamic deposition on structural-phase transformations in “brass” type coating

2020 ◽  
pp. 554-559
Author(s):  
V.E. Arkhipov ◽  
T.I. Murav’eva ◽  
M.S. Pugachev ◽  
I.V. Shkaley
Keyword(s):  
Deposition Temperature ◽  
Mass Fraction ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
Technological Parameters ◽  
X Ray ◽  
Type Compound ◽  
Gas Dynamic ◽  
Ε Phase ◽  
Overlap Coefficient

The results of effect of deposition temperature and the overlap coefficient on the formation of the phase composition of coating based on Cu, Zn and Al2O3 particles mixture applied by cold gas-dynamic deposition are presented. Using X-ray diffraction and X-ray spectral analysis, it is shown that when using the 55 % overlap coefficient electron-type compound based on CuZn3 (ε-phase) is formed in the coating, the mass fraction of which increases to 11.4 % with increase in the deposition temperature. Deposition with 64 % overlap coefficient is accompanied by the formation not only of the ε-phase, but of electron-type compound based on Cu5Zn8 (γ-phase), the mass fraction of which increases to 33 % at temperature of 450 °C. In the process of coating deposition, the predominant diffusion copper into zinc takes place; the calculations show high value of the diffusion coefficient copper — 1,56•10–13 m2 /s.

Synthesis, Characterization and Optical Properties of PLA / P3HT Blends Thin Films

2021 ◽  
Vol 19 (5) ◽  
pp. 132-138
Author(s):  
Maan Abd-Alameer Salih ◽  
Q.S. Kareem ◽  
Mohammed Hadi Shinen
Keyword(s):  
Thin Films ◽  
Optical Properties ◽  
Spin Coating ◽  
Ring Opening ◽  
Energy Gap ◽  
Ring Opening Polymerization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Conductivity Increase ◽  
Ft Ir

In this exploration Poly lactic corrosive (PLA) was orchestrated the ring-opening polymerization Poly lactic corrosive (PLA) blended with poly(3-hexylthiophene) (P3HT) which prepared by solution. Blends thin films Synthesis by spin coating technique and using Tetrahydrofuran (THF) as solvent. PLA powder was 'characterized by' 'X-ray' 'diffraction', '(FT-IR)'. pure Optical properties (PLA), (PLA)/P3HT blends thin films with different percentage of P3HT (0, 1, 2, and 3) wt% were investigated using UV-VS spectroscopy The results showed that the absorption, absorption coefficient, extinction coefficient and conductivity increase with increasing the rate of deformation P3HT, The energy gap decreases with increasing deformation.

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