Search results for "FFR"
showing 10 items of 1798 documents
Addressing optical pixel bits in a slab of dense optical material via intrinsic optical bistability
2007
It is well known that dense materials with local-field effects can show "intrinsic" optical bistability when they are directly irradiated by a light beam. This has been shown theoretically in a number of works and also experimentally in several cases, in gas media and also in doped solid-state materials where nonlinearities based on standard local-field effects can be reinforced with other ion interaction effects. Although from the point of view of applications nonlinearities stronger than those found so far would be desirable, the fact that no optical resonator is needed to achieve bistability makes these materials potentially interesting for applications in optical information storage and…
Third-harmonic light polarization control in magnetically resonant silicon metasurfaces
2021
Nonlinear metasurfaces have become prominent tools for controlling and engineering light at the nanoscale. Usually, the polarization of the total generated third harmonic is studied. However, diffraction orders may present different polarizations. Here, we design an high quality factor silicon metasurface for third harmonic generation and perform back focal plane imaging of the diffraction orders, which present a rich variety of polarization states. Our results demonstrate the possibility of tailoring the polarization of the generated nonlinear diffraction orders paving the way to a higher degree of wavefront control.
Subwavelength Bessel beams in wire media
2013
Recent progress is emerging on nondiffracting subwavelength fields propagating in complex plasmonic nanostructures. In this paper, we present a thorough discussion on diffraction-free localized solutions of Maxwell’s equations in a periodic structure composed of nanowires. This self-focusing mechanism differs from others previously reported, which lie on regimes with ultraflat spatial dispersion. By means of the Maxwell–Garnett model, we provide a general analytical expression of the electromagnetic fields that can propagate along the direction of the cylinder’s axis, keeping its transverse waveform unaltered. Numerical simulations based on the finite element method support our analytical a…
Revisiting the charge density analysis of 2,5-dichloro-1,4-benzoquinone at 20 K
2017
A high-resolution X-ray diffraction measurement of 2,5-dichloro-1,4-benzoquinone (DCBQ) at 20 K was carried out. The experimental charge density was modeled using the Hansen–Coppens multipolar expansion and the topology of the electron density was analyzed in terms of the quantum theory of atoms in molecules (QTAIM). Two different multipole models, predominantly differentiated by the treatment of the chlorine atom, were obtained. The experimental results have been compared to theoretical results in the form of a multipolar refinement against theoretical structure factors and through direct topological analysis of the electron density obtained from the optimized periodic wavefunction. The si…
Maximum entropy method : an unconventional approach to explore observables related to the electron density in phengites
2009
The maximum entropy method (MEM) is used here to get an insight into the electron density [rho(r)] of phengites 2M (1) and 3T, paying special attention to the M1-formally empty site and charge distribution. Room temperature single crystal X-ray diffraction data have been used as experimental input for MEM. The results obtained by MEM have been compared with those from conventional structure refinement which, in turn, has provided the prior-electron density to start the entropy maximization process. MEM reveals a comparatively non-committal approach, able to produce information related to the M1-site fractional occupancy, and yields results consistent with those from the difference Fourier s…
Electric properties of KTiOPO4and NaTiOPO4from temperature-dependent X-ray diffraction
1999
Single crystals of KTiOPO4(KTP) and NaTiOPO4(NaTP) show pronounced pyroelectric behaviour. In order to determine the origin of this property on an atomic scale, X-ray diffraction measurements have been carried out at several temperatures between 100 and 600 K. Modelling of the electron density and the evolution of the structure as a function of temperature has enabled the determination of values for the spontaneous polarization of the compounds and the pyroelectric coefficient of KTP, principally due to the alkaline-ion displacements with a value of 2.0 nC cm−2 K−1. Structure modifications, compared with NaTiOPO4, and the calculation of the electrostatic potential explain the anisotropic be…
Synchrotron X-ray Diffraction and Reflection Studies of a Polymacromonomer Monolayer at the Air−Water Interface: Transition from Aligned Single Mole…
2004
Monolayers of polymacromonomers with poly(vinyl)pyridine side chains of different lengths, polyPVP20.8 and polyPVP46.7, are studied at the air/water interface. Combination of reflection data and diffraction peaks allows the establishment of a structural model. In the expanded phase at pressures below approximately 15 mN/m, the side chains are adsorbed to the air/water interface, causing polymer backbone stretching and alignment of the single molecules. The in-plane peaks are due to the lateral electron density variation above and below the adsorption layer. The diameter of the flattened cylindrical molecules corresponds to twice the contour length of the side chains (25 and 12.5 nm, respect…
On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures
2007
International audience; With an increasing number of biomacromolecular crystal structures being measured to ultra-high resolution, it has become possible to extend to large systems experimental charge-density methods that are usually applied to small molecules. A library has been built of average multipole populations describing the electron density of chemical groups in all 20 amino acids found in proteins. The library uses the Hansen & Coppens multipolar pseudo-atom model to derive molecular electron density and electrostatic potential distributions. The library values are obtained from several small peptide or amino acid crystal structures refined against ultra-high-resolution X-ray diff…
About the reliability of the Maximum Entropy Method in reconstructing electron density: the case of MgO
2006
Abstract The reliability of the Maximum Entropy Method (MEM) to reconstruct finite temperature electron density (ED) is here discussed, investigating the case of periclase (MgO). A theoretical electron density has been generated by quantum mechanic calculations and folded with a function simulating atomic thermal motion, in order to produce a reference errorless ED [ρ(r)REF]. The Fourier coefficients of ρ(r)REF have been calculated, and used as “observed” diffraction intensities to reconstruct via MEM the original ED. The electron density attained by MEM [ρ(r)MEM] and ρ(r)REF have been compared with each other (pixel-by-pixel and critical points) to assess the ability of MEM to retrieve EDs…
Structural, vibrational and electrical study of compressed BiTeBr
2016
Compresed BiTeBr has been studied from a joint experimental and theoretical perspective. Room-temperature x-ray diffraction, Raman scattering, and transport measurements at high pressures have been performed in this layered semiconductor and interpreted with the help of ab initio calculations. A reversible first-order phase transition has been observed above 6–7 GPa, but changes in structural, vibrational, and electrical properties have also been noted near 2 GPa. Structural and vibrational changes are likely due to the hardening of interlayer forces rather than to a second-order isostructural phase transition while electrical changes are mainly attributed to changes in the electron mobilit…