Search results for "angle"
showing 10 items of 1921 documents
Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111)
2011
Abstract: A computational method is presented for angle-resolved photoemission spectra (ARPES) and photoelectron diffraction (PED) in the ultraviolet regime. The one-step model is employed and both initial valence and final continuum states are calculated using the finite-cluster, real-space multiple scattering method. Thereby the approach is versatile and provides a natural link to core-level PED. The method is applied to the Cu(111) valence band and good agreement with experiment is found for both ARPES spectra and PED patterns. When the PED patterns are integrated over a filled band of a single-orbital symmetry, such as Cu-3d, we show, both numerically and analytically, that the exact th…
X-ray study of LB multilayers of cadmium soaps in the vicinity of the break up point
1991
Temperature dependent SAXS measurements were carried out on multilayers of two different salts, cadmium palmitate (hexadecanoate) and behenate (docosanoate). The pattern characteristic of layer structure disappears at a transition temperature well below the bulk melting point in both cases. Examination by means of optical microscopy shows that the LB films break up at a temperature close to this transition. Measurements in its vicinity demonstrate that over a certain temperature range just below the transition a second set of peaks arises in the diffraction pattern. During this transition region of about 3 °C width two d-spacings for both salts were found, suggesting the simultaneous existe…
Low-Q peak in X-ray patterns of choline-phenylalanine and homophenylalanine: a combined effect of chain and stacking
2016
Abstract In this contribution we report for the first time the X-ray patterns of choline-phenylalanine and choline-homophenylalanine ionic liquids. The presence of a low Q peak in both systems is another evidence that a long alkyl chain is not always needed to establish a nanodomain segregation in the liquid sufficient to be revealed by the diffraction experiment. These new data are compared with the diffraction patterns and the theoretical calculations of other choline-aminoacid ionic liquids recently reported. A significant role might be played by the stacking interactions between aromatic rings.
DICHROISM IN ANGLE-RESOLVED PHOTOEMISSION FROM Pt(111)
2002
The angular dependence of the circular dichroism in photoemission from Pt(111) was investigated for excitation with VUV and soft X-ray radiation. VUV excitation was used to probe band structure and the circular dichroism for valence band emission. The measurements are compared to full relativistic single step photoemission calculations. XPS was used to investigate the circular dichroism in emission from the 4f core level. In this case, the dichroism is induced by photoelectron diffraction. First results from single step core level calculations are compared to the experimental observations.
Characterization of opal photonic hetero-crystals by light scattering
2006
Spectra of the light scattered in the heterogeneous photonic crystal based on the thin triple-film opal, which was prepared by successive, convective force-assisted crystallisation of colloidal suspensions containing spheres of 374, 474 and again 374 nm in diameter, have been studied in the wavelength range of low order photonic bandgaps. If the ballistic regime of light propagation is preserved, the forward scattered light becomes the subject of the diffraction attenuation, whereas the backscattered light experiences both the diffraction enhancement and attenuation. A variety of possible configurations of scattered light measurements have been examined and corresponding spectra of scattere…
Dense Post-Barite-type Polymorph of PbSO4 Anglesite at High Pressures
2019
Synchrotron X-ray diffraction measurements on lead sulfate have been performed up to 67 GPa using He as pressure transmitting medium. Experiments reveal the existence of a reversible pressure-induced phase transition from the initial Pnma barite-type to the P212121 post-barite-type structure at pressures above 27 GPa. This phase transition involves a volume collapse of 2.4% and requires a considerable pressure overshoot (large pressure range with coexistence of phases) to overcome the large kinetic barrier of the transition. DFT calculations confirm the experimental observations and support the hypothesis that post-barite-type phase is the thermodynamically stable high-pressure structure fo…
Probing bulk electronic structure with hard X-ray angle-resolved photoemission.
2010
Traditional ultraviolet/soft X-ray angle-resolved photoemission spectroscopy (ARPES) may in some cases be too strongly influenced by surface effects to be a useful probe of bulk electronic structure. Going to hard X-ray photon energies and thus larger electron inelastic mean-free paths should provide a more accurate picture of bulk electronic structure. We present experimental data for hard X-ray ARPES (HARPES) at energies of 3.2 and 6.0 keV. The systems discussed are W, as a model transition-metal system to illustrate basic principles, and GaAs, as a technologically-relevant material to illustrate the potential broad applicability of this new technique. We have investigated the effects of …
Treatment of grazing-incidence small-angle X-ray scattering data taken above the critical angle
2001
The equations taking into account refraction at the sample surface in grazing-incidence small-angle X-ray scattering (GISAXS) when the angle between the incoming beam and the sample surface is slightly larger than the critical angle are derived and discussed. It is demonstrated that the refraction of both the incoming and the scattered beam at the sample surface affects the GISAXS pattern and that, when a planar bidimensional detector perpendicular to the incoming beam is used, the effect depends on the azimuthal detector angle. The smearing of the pattern depending on the size of the illuminated sample area in grazing incidence is estimated by simulations with Cauchy functions of different…
IMPLICIT MESH DISCONTINUOUS GALERKIN FOR VARIABLE ANGLE TOW MULTILAYERED PLATES
2018
This works presents a novel computational scheme for variable angle tow (VAT) multilayered plates [1]. The characteristic features of the proposed scheme are the combined use of a discontinuous Galerkin (dG) formulation and an implicitly defined mesh. The formulation is based on the principle of virtual displacements (PVD) and the Equivalent Single Layer (ESL) assumption for the mechanical behavior of the VAT plates [2]. The problem is first placed within the dG framework by suitably introducing an auxiliary variable and by rewriting the set of equations governing ESL VAT plates as a firstorder system of differential equations. Following Arnold et al.[3] and by introducing suitably defined …
Toward computability of trace distance discord
2014
It is known that a reliable geometric quantifier of discord-like correlations can be built by employing the so-called trace distance. This is used to measure how far the state under investigation is from the closest "classical-quantum" one. To date, the explicit calculation of this indicator for two qubits was accomplished only for states such that the reduced density matrix of the measured party is maximally mixed, a class that includes Bell-diagonal states. Here, we first reduce the required optimization for a general two-qubit state to the minimization of an explicit two-variable function. Using this framework, we show next that the minimum can be analytically worked out in a number of r…