Search results for " diffraction"
showing 10 items of 896 documents
Spin-polarized Low Energy Electron Diffraction
2007
We review recent progress in the understanding of the physics of ultrathin ferromagnetic films and surfaces that has been made using elastic spin-polarized low-energy electron diffraction (SPLEED). Further development of the experimental technique including high efficient electron sources, spin manipulation and imaging allows a wide range of applications. We report on a quantitative comparison of relativistic dynamical scattering calculations with SPLEED experiments on Fe(110) surfaces and Fe(100)/W(100) thin films leading to an understanding of the spatial distribution of spin densities. Exploiting the surface sensitivity in combination with the large asymmetry of SPLEED, it becomes feasib…
Ultrafast Metamorphosis of a Complex Charge Density Wave in Tantalumdiselenite
2016
Using ultrafast electron diffraction, we record the transformation between a nearly-commensurate and an incommensurate charge-density-wave in 1T-TaS2, which takes place orders of magnitude faster than previously observed for commensurate-to-incommensurate transitions.
Ultrafast Metamorphosis of a Complex Charge-Density Wave
2015
Modulated phases, commensurate or incommensurate with the host crystal lattice, are ubiquitous in solids. The transition between such phases involves formation and rearrangement of domain walls and is generally slow. Using ultrafast electron diffraction, we directly record the photoinduced transformation between a nearly commensurate and an incommensurate charge-density-wave phase in 1T-TaS(2). The transformation takes place on the picosecond time scale, orders of magnitude faster than previously observed for commensurate-to-incommensurate transitions. The transition speed and mechanism can be linked to the peculiar nanoscale structure of the photoexcited nearly commensurate phase.
Neutron-diffraction study of end-for-end ordering in commensurate submonolayers of carbon monoxide physisorbed on the graphite basal plane
1997
The head-tail (dipolar) ordering in commensurate submonolayer films of carbon monoxide adsorbed on graphite recently observed in heat-capacity measurements for T < 5.18 K has been investigated by neutron diffraction. It will be shown that the experimental results are consistent with an end-for-end ordered commensurate herringbone structure.
Neutron diffraction studies of the molecular compound [Co 2(bta)]n (H4bta =1,2,4,5-benzenetetracarboxylic acid): In the quest of canted ferromagnetism
2013
The exchange mechanism and magnetic structure of the organic-inorganic layered molecule-based magnet [Co2(bta)]n (1) (H 4bta =1,2,4,5-benzenetetracarboxylic acid) have been investigated through variable-temperature magnetic susceptibility measurements and supported with a series of neutron diffraction experiments. Cryomagnetic studies have shown an antiferromagnetic ordering at a transition temperature of 16 K that is followed by the appearance of a weak ferromagnetism below 11 K. The weak antiferromagnetic interlayer interaction plays an important role in this system in spite of the long interlayer separation. A ferromagnetic ordering is induced by applied magnetic fields greater than 1800…
Synthetic Pathways for New Tubular Transition Metal Hydroxo- and Fluoro-Selenites: Crystal Structures ofM12(X)2(SeO3)8(OH)6(M=Co2+,Ni2+;X= OH−)
1996
The dumortierite-family structuresM12X2(SeO3)8(OH)6(M= Co2+and Ni2+;X= OH−and F−) have been synthesized. The crystal structures of the hydroxo-derivatives have been refined from X?ray powder diffraction data in the space groupP63mc(Z= 1) witha= 12.887(3) A andc= 4.981(4) A (M= Co2+,X= OH−or F−) anda= 12.704(5) A andc= 4.925(6) A (M= Ni2+,X= OH−or F−). Application of the Partial Charge Transference Model allows the understanding of the selenite derivatives crystal chemistry.
Strategies for structure solution and refinement of small organic molecules from electron diffraction data and limitations of the simulation approach
1999
In recent years, a series of non-linear optically active bis(benzylidene) ketones have been synthesized and investigated by electron crystallography. In most cases, structure refinement was possible by combining electron diffraction analysis and quantum-mechanical calculations with maximum-entropy methods. However, when the torsional angles between the phenyl rings and the C=C double bonds are strongly affected by the crystal field, this method fails because packing-energy calculations are not sufficiently sensitive. This problem can be solved by refining the approximate model with SHELXL, if the data set is sufficiently accurate and the model close to the correct structure. Here it is show…
Structure determination to calculate nonlinear optical coefficients in a class of organic material
1999
A class of molecules with intramolecular two-dimensional charge transfer upon excitation has been synthesized. It is expected that these materials should be prospective candidates for nonlinear optical (NLO) applications such as second harmonic (SHG) generation. In order to optimize the macroscopic NLO properties of the compounds, it is necessary to relate their first hyperpolarizability tensors at a molecular level to those at a crystal bulk level. This requires a complete structure determination and refinement. However, the growth of sufficiently large single crystals, which are needed for structural analysis and refinement by x-ray methods, is a time-consuming and sometimes impossible ta…
ChemInform Abstract: Electron Crystallography and Organic Materials with Non-Linear Optical Properties
2010
Results of electron microscopic studies of crystal structures of a number of bis-benzylidene cyclohexanones are presented. It is shown that some of these compounds are efficient crystalline non-linear optically active (NLO) chromophores with second harmonic generation (SHG) properties. Appropriately functionalized chromophores of this type can be used as a polycondensation comonomer to produce partly crystalline main-chain NLO-active polymers. Electron diffraction crystal structural data, obtained for very small crystals, allowed us to get reasonable estimations of macroscopic crystal NLO-coefficients, relating quantum-chemically calculated molecular first hyperpolarizability components to …
Crystal chemistry and redox behaviour of antimony strontium calcium perovskites
2000
The compound Sr2Sb1.4Ca0.6O6 and their reduced forms Sr2Sb1.4Ca0.6O5.17 and Sr2Sb1.4Ca0.6O4.84 have been prepared and characterized by powder X-ray diffraction, electron diffraction, iodometric analyses and thermogravimetric analysis. The three phases with different oxygen stoichiometries are structurally related to the perovskite and show symmetry distortions from the ideal cubic structure (with cell parameter ap). The crystal structure of Sr2Sb1.4Ca0.6O6 may be refined by the Rietveld method from powder X-ray diffraction data using the space group P21/n, and the cell parameters a=5.776(2), b=5.7837(2), c=8.1718(3) A, β=90.039(3)° with the same structural model than for previously studied …