Search results for "Crystallographic"
showing 10 items of 202 documents
Intrinsic defects induced by β-irradiation in silica
2002
We report an electron paramagnetic resonance study of defects induced by β-irradiation in natural and synthetic samples of high purity commercial silica. Data are collected for the E′ centers and a resonance satellite signal split by 1.36 mT. By comparison with the effects of γ-irradiation it is shown that the mechanisms of defect generation are the same for the two irradiation sources and that in the high-dose limit they involve intrinsic defects of the glassy matrix. Moreover, the high concentration of defects generated by β-irradiation modifies the EPR spectrum due to spin–spin interaction.
Temperature-dependent polymorphism of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide: experimental and theoretical studies on int…
2014
X-ray analysis of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide reveals the temperature-dependent polymorphism associated with the crystallographic symmetry conversion. The observed crystal structure transformation corresponds to a symmetry reduction from I41 /a (I) to P43 (II) space groups. The phase transition mainly concerns the subtle but clearly noticeable reorganization of molecules in the crystal space, with the structure of individual molecules left almost unchanged. The Hirshfeld surface analysis shows that various intermolecular contacts play an important role in the crystal packing, revealing graphically the differences in spatial arrangements of the molecule…
Structure and Physical Properties of Na1/2Bi1/2TiO3-CdTiO3Solid Solutions
2011
Behaviour of ferroelectric properties in Na1/2Bi1/2TiO3-CdTiO3 solid solutions correlates with dependence of lattice symmetry versus concentration of constituents. However, some overlapping is observed in concentration range close to the morphotropic phase boundary. The properties of dielectric permittivity, characteristic for relaxor ferroelectrics, diminish, if concentration of CdTiO3 increases, but it is not influenced by the change of crystallographic symmetry. The electromechanical properties are mostly pronounced in the range of cubic-tetragonal morphotropic phase boundary.
Influence of hydrogen on paramagnetic defects induced by UV laser exposure in natural silica
2005
Diffusion limited reactions of point defects were investigated in amorphous SiO2 exposed to UV laser light. Electron spin resonance and in situ absorption measurements at room temperature evidenced the annealing of E' centers and the growth of H(II) centers both occurring in the post-irradiation stage and lasting a few hours. These transients are caused by reactions involving molecular hydrogen H2, made available by dimerization of radiolytic H0.
Synthesis and antiproliferative activity of 3-amino-N-phenyl-1H-indazole-1-carboxamides
2007
Abstract A series of new 3-amino-N-phenyl-1H-indazole-1-carboxamides 10 have been prepared from commercially available phenyl isocyanate precursors 8 and 3-aminoindazole 9. Some of the synthesized compounds were evaluated for their in vitro antineoplastic activity against 60 human cell lines derived from seven clinically isolated cancer types (lung, colon, melanoma, renal, ovarian, brain, and leukemia) according to the NCI standard protocol. The test results indicated that 3-amino-1H-indazole-1-carboxamides 10 were endowed with an interesting antiproliferative activity. The most active compounds of this series, 10d,e, were able to inhibit cell growth of many neoplastic cell lines at concent…
Structural characterization of selective area growth GaN nanowires by non-destructive optical and electrical techniques
2015
The growth selectivity and structural quality of GaN nanowires obtained by plasma-assisted molecular beam epitaxy on pre-patterned GaN(0001) templates are investigated by means of non-destructive techniques. Optimum control over the nanowire arrangement and size requires a pitch between the mask apertures below twice the diffusion length of Ga atoms. Lower pitches, however, seem to slightly diminish the structural quality of the material, as revealed by the increase of the Raman peak linewidths. The photoluminescence spectra of the nanowires show a considerable presence of basal plane stacking faults, whose density increases for decreasing nanowire diameter. The capabilities of Kelvin probe…
Atomic scale DFT simulations of point defects in uranium nitride
2007
Atomic scale density functional calculations are used to predict the behaviour of defects in uranium mononitride (UN). Two different density functional codes (VASP and CASTEP) were employed with supercells containing from 8 to 250 atoms (providing a significant range of defect concentrations). Schottky and nitrogen Frenkel point defect formation energies, local lattice relaxations and overall lattice parameter change, as well as the defect induced electronic density redistribution, are discussed.
The effect of high-In content capping layers on low-density bimodal-sized InAs quantum dots
2013
[EN] The structural and morphological features of bimodal-sized InAs/(In) GaAs quantum dots with density in the low 10(9) cm(-2) range were analyzed with transmission electron microscopy and atomic force microscopy and were related to their optical properties, investigated with photoluminescence and time-resolved photoluminescence. We show that only the family of small quantum dots (QDs) is able to emit narrow photoluminescence peaks characteristic of single-QD spectra; while the behavior of large QDs is attributed to large strain fields that may induce defects affecting their optical properties, decreasing the optical intensity and broadening the homogeneous linewidth. Then, by using a rat…
Structural and luminescence properties of amorphous SiO2 nanoparticles
2011
We report an experimental study on the photoluminescence band peaked at 2.7 eV (blue band) induced by thermal treatments in nanometric amorphous SiO 2. In particular the emission dependence on the nanometric particles size as a function of their mean diameter from 7 nm up to 40 nm is investigated. We found that the emission amplitude increases on decreasing the particle diameter, showing a strong correlation between the blue band and the nanometric nature of the particles. By Raman spectroscopy measurements it is evidenced that the SiO2 nanoparticles matrix is significantly affected by the reduction of size. Basing on the shell-like model, these findings are interpreted assuming that the de…
A Mechanical–Electrochemical Approach for the Determination of Precursor Sites for Pitting Corrosion at the Microscale
2006
International audience; The influence of metallurgical defects and residual surface stresses generated by polishing on the pitting susceptibility of duplex stainless steels was studied by combining macro- and microelectrochemical measurements with thermal-mechanical simulation and metallography tests. It has been shown that pits initiate in both phases at metallurgical point defects (such as oxide inclusions in the ferrite and dislocation lines in the austenite). By contrast, the surface stress state was the driving force for pit initiation along the austenite/ferrite interface. Experiments at the macroscale revealed that this process represents about 40% of the total number of pits observe…