Search results for "Electron diffraction"
showing 10 items of 191 documents
The use of maximum entropy statistics combined with simulation methods to determine the structure of 4-dimethylamino-3-cyanobiphenyl
1997
Abstract 4-dimethylamino-3-cyanobiphenyl (4-DMA-3-CB) was characterised with respect to non-linear optical (NLO) properties in the gas phase and in the crystal. The crystal structure was solved from a series of electron diffraction patterns using both molecular modelling and ab initio maximum entropy techniques combined with log-likelihood evaluation. The agreement between the two methods is excellent and the structure evaluation permits an analysis of the major components of the hyperpolarisability tensor in the crystal framework.
Specular reflection of spin-polarized electrons from the W(001) spin-filter crystal in a large range of scattering energies and angles
2015
Extending previous work on the imaging spin-filter technique based on electron diffraction from W(001) in the specular (00)-LEED (low-energy electron diffraction) spot, we studied the scattering-energy and angle-of-incidence landscape of spin sensitivity $S$ and reflectivity ${I/I}_{0}$. The setup includes a spin-polarized GaAs electron source and a rotatable delay-line detector for spatially resolving detection. We measured the intensity and spin asymmetry of the specularly reflected beam for energies between 14 and 37 eV and angles of incidence between ${30}^{\ensuremath{\circ}}$ and ${60}^{\ensuremath{\circ}}$. Resulting energy-angular landscapes show rather good agreement with theory [r…
Orientational Ordering ofN2OMolecules Adsorbed on Graphite (0001): A Novel Commensurate Pinwheel Structure
2000
The structure and orientational ordering of N2O molecules physisorbed on graphite (0001) is investigated applying x-ray, neutron, and low-energy electron diffraction techniques. Combining the results of the three techniques, we find that N2O forms a highly ordered, hexagonal, commensurate (sqrt[21]xsqrt[21])R10.89 degrees phase. The unit cell contains seven molecules which are arranged in a seven-sublattice pinwheel structure, unexpected for linear molecules on a hexagonal lattice. Potential energy calculations corroborate these results.
Cryo-negative staining
1998
Abstract A procedure is presented for the preparation of thin layers of vitrified biological suspensions in the presence of ammonium molybdate, which we termcryo-negative staining. The direct blotting of sample plus stain solution on holey carbon supports produces thin aqueous films across the holes, which are routinely thiner than the aqueous film produced by conventional negative staining on a continuous carbon layer. Because of this, a higher than usual concentration of negative stain (ca. 16% rather than 2%) is required for cryo-negative staining in order to produce an optimal image contrast. The maintenance of the hydrated state, the absence of adsorption to a carbon film and associate…
A new hydrous Al-bearing pyroxene as a water carrier in subduction zones
2011
Abstract A new Hydrous Al-bearing PYroxene (HAPY) phase has been synthesized at 5.4 GPa, 720 °C in the MgO–Al2O3–SiO2–H2O model system. It has the composition Mg2.1Al0.9(OH)2Al0.9Si1.1O6, a C-centered monoclinic cell with a = 9.8827(2), b = 11.6254(2) c = 5.0828(1) A and β = 111.07(1)°. The calculated density is 3.175 g/cm3 and the water content is 6.9% H2O by weight. Its structure has been solved in space group C2/c by the recently developed automated electron diffraction tomography method and refined by synchrotron X-ray powder diffraction. HAPY is a single chain inosilicate very similar to pyroxenes but with three instead of two cations in the octahedral layer, bonded to four oxygens and…
The re Structure of Cyclopropane
2000
A long-standing controversy regarding the re structure of cyclopropane is resolved by performing high-level quantum chemical calculations and analyzing the experimental rotational constants for C3H6 and C3H4D2 augmented by calculated vibrational corrections. For the latter, a least-squares fit yields the following set of parameters: re (CC) = 1.5030(10) A, re(CH) = 1.0786(10) A, and αe(HCH) = 114.97(10)°, which compare favorably with both the pure computational result obtained at the CCSD(T)/cc-pVQZ level as well as an earlier estimate of the re structure of cyclopropane based on analysis of gas-phase electron diffraction data. Our results are in rather poor agreement with a structure base…
Momentum-resolved photoelectron absorption in surface barrier scattering on Ir(111) and graphene/Ir(111)
2017
Physical review / B 96(15), 155108 (2017). doi:10.1103/PhysRevB.96.155108
Reflection high energy electron diffraction as a tool in cluster deposition experiments
2010
Reflection high energy electron diffraction (RHEED) is used to study the structure and orientation of mass-filtered iron clusters upon deposition ontoW(110). The present setup enables in situ investigations during deposition and thermal annealing. Particles as small as 2 nm at low density on the surface can be studied. The experiments reveal that larger particles with a diameter of about 13 nm are randomly oriented on the substrate with a preferred tendency to rest on their surface facets. Thermal annealing leads to a partial realignment and a significant flattening of the particles. In contrast 2 nm particles are found to align spontaneously in an epitaxial manner on W(110). Thermodynamic …
Preparation and structural analysis of Fe2+xTi1−x thin films in the C14 Laves phase stability range
2002
Abstract We report the epitaxial growth of single phase (0 0 1)-oriented thin films of Fe2+xTi1−x in the C14 Laves phase stability range using molecular beam epitaxy (MBE). The growth was studied by reflection high-energy electron diffraction (RHEED) and X-ray diffraction (XRD). The onset temperature for epitaxial growth and the temperature range for improved crystalline coherence were identified. From X-ray reflectometry analysis the rms roughness was estimated to 0.5 nm for typical film thicknesses of 22 nm. As revealed by scanning tunneling microscopy (STM), this roughness is discrete and due to step edges corresponding to the full c-axis length of Fe2Ti. The epitaxial growth implies an …
Molybdenum deposition on TiO2 (110) surfaces with different stoichiometries
1999
Abstract The deposition of ultra thin molybdenum films has been carried out on three different TiO 2 surfaces: a stoichiometric and flat one obtained after annealing, a non stoichiometric and rough surface made by Ar + bombardment and a stoichiometric and rough surface obtained by oxygen bombardment. Whatever the substrate preparation, in situ AES and XPS studies and ex situ AFM and RHEED characterizations have revealed a Stranski–Krastanov growth mode: the completion of three monolayers followed by island growth is observed in any case. The three monolayers are composed of amorphous molybdenum oxide with a molybdenum oxidation state between III and IV. The oxidation of the molybdenum layer…