Search results for "OPTICS"
showing 10 items of 10033 documents
Atomic structure solution of the complex quasicrystal approximant Al77Rh15Ru8 from electron diffraction data
2014
The crystal structure of the novel Al77Rh15Ru8phase (which is an approximant of decagonal quasicrystals) was determined using modern direct methods (MDM) applied to automated electron diffraction tomography (ADT) data. The Al77Rh15Ru8E-phase is orthorhombic [Pbma,a= 23.40 (5),b= 16.20 (4) andc= 20.00 (5) Å] and has one of the most complicated intermetallic structures solved solely by electron diffraction methods. Its structural model consists of 78 unique atomic positions in the unit cell (19 Rh/Ru and 59 Al). Precession electron diffraction (PED) patterns and high-resolution electron microscopy (HRTEM) images were used for the validation of the proposed atomic model. The structure of the E…
Localized molecular orbitals for excited states of polyenals, polyendials, and polyenones
2003
The work is focused on the generation of localized molecular orbitals for excited states. A recently developed a priori method based in a CAS-SCF–type algorithm is applied. The method generates directly localized orbitals and can be applied to multireference wavefunctions. A detailed description of the performance of the method as well as the locality of the MOs for the example of the singlet nπ* (CO) excited state is given. It is in general possible to obtain local orbitals for the doubly occupied and virtual valence orbitals. The partial delocalization of the π* (CO) orbital is discussed, as is the effect of the use of different CAS spaces. The systems under study are polyenals, polyendia…
Large Quadratic Hyperpolarizabilities with Donor–Acceptor Polyenes Exhibiting Optimum Bond Length Alternation: Correlation Between Structure and Hype…
1997
Donor-acceptor polyenes of various lengths, and that combine aro- matic electron-donating moieties with powerful heterocyclic electron-withdraw- ing terminal groups, have been synthe- sized and characterized as efficient non- linear optical (NLO) chromophores. Their linear and nonlinear optical proper- ties have been investigated, and variations in these properties have been related to ground-state polarization (dipole p) and structure. In particular, unprecedented quadratic hyperpolarizabilities (p) have been achieved (up to p(0) =I500 x 10-30esu) by reduction of the bond- length alternation (BLA) in the polyenic chain. In each series of homologous com-
Up-conversion processes in NaLaF4:Er3+
2009
abstract Structural and spectroscopic investigation of NaLaF 4 :Er 3+ material at different doping concentrations ispresented. X-ray diffraction patterns, up-conversion luminescence spectra and decay curves for 2 H 9/2 ? 4 I 15/2 , 4 S 3/2 ? 4 I 15/2 and 4 F 9/2 ? 4 I 15/2 optical transitions in the material are shown and possibleexcitation routes are discussed. Raman spectrum for the undoped material is presented and the effectivephonon energy of the material is estimated. Based on the obtained results application of rare-earth dopedNaLaF 4 in the field of up-conversion phosphors is evaluated. 2009 Elsevier B.V. All rights reserved. 1. IntroductionFor many years rare-earth (RE) doped materi…
High precision numerical estimates of acoustic phonon frequencies of nonspherical nanoparticles
2006
We introduce an adapted method for calculating the acoustic vibrational frequencies of arbitrarily shaped nanoparticles to high precision. Molecular dynamics simulation results are tested against exact solutions for a free sphere, a hollow sphere and a spheroid. This permits theoretical predictions of the frequencies of peaks in low frequency Raman spectra. Our results demonstrate that vibrational frequencies can be calculated for a wide range of low frequency modes with accuracies on the order of a tenth of a percent.
Anisotropy of the refractive index and absorption coefficient in the layer plane of gallium telluride single crystals
1995
Refractive index and absorption coefficient of GaTe for light polarized in the optical axis directions in the layer plane are determined from transmission measurements. The refractive index is determined in the wavelength range from 0.7 to 25 μm and the absorption coefficient in the range of energies from 1.6 to 2 eV at room temperature and at 30 K. The optical constants are found to be anisotropic in the layer plane. The refractive index dispersion is interpreted through a Phillips-Van Vechten model and the Penn gaps for each direction are found to be E pg (⊥b) = 3.37 eV and E pg (∥b) = 3.58 eV. In the long-wavelength region a polar phonon contribution is also taken into account. The absor…
Spatial separation of atomic states in a laser cooled ion crystal
1999
A laser cooled ion crystal containing several hundred Ca+ ions has been stored in a linear Paul trap. Cooling is provided by a red detund laser at the 4S1/2−4P1/2 resonance transition. A second laser serves for repumping of those ions which decay from the excited 4P1/2 level to the metastable 3D3/2 state. The ions can be additionally excited by a third laser to a long lived metastable 3D5/2 energy level which decouples them from the cooling laser radiation. The light pressure acting upon the laser cooled ions pushes them into the direction of the laser beam. The ions in the metastable 3D5/2 state, however, do not experience any light pressure force and diffuse to the crystal side which poin…
The use of X-ray-induced and thermostimulated visible and UV luminescence for understanding X-ray poling of silica glasses
2007
In this paper, we studied the X-ray-induced visible and UV luminescence (XRL) during X-ray irradiation, afterglow (after X-ray was switched off) and thermostimulated luminescence (TSL). Comparisons were performed between with and without applying an electric field of 1.5 kV/mm on the sample. The typical TSL curve for X-ray-irradiated samples present two peaks centered at 90 and 280 °C. The relative intensity of these two peaks is X-ray dose dependent. An external electric field enhances the XRL, but has no effect on the afterglow. The TSL and afterglow spectra are identical with one peak at 3.25 eV, whereas XRL spectrum displays an additional peak at 4.25 eV. A model of electron exchange be…
Donor-acceptor substituted polyenes : orientation in mono- and multilayers
1992
Large molecules containing different chemical units whose interactions within the molecule result in new macroscopically observable effects, have become increasingly important.The organization of molecules of this type in ordered structures leads to functional molecular materials.Their use in molecular electronics requires that the units exhibit specific electronic properties. Recently, we reported on the intramolecular energy transfer through terminally substituted conjugated polyenes. An intramolecular electron transfer within donor-acceptor substituted polyenes can be achieved by introducing suitable terminal groups.
Time-resolved luminescence and induced absorption in PbWO4
1997
Abstract Luminescence and short-lived induced absorption are studied for two undoped PbWO4 crystals. Luminescence decay at LNT is delayed relative to irradiation pulse. The delay observed is either due to reabsorption of luminescence or due to creation of luminescence center excited states via energy or/and charge transfer after irradiation pulse. Short-lived absorption is observed within 1.1–3.6 eV spectral region at LNT as well as at RT. It is proposed that the short-lived absorption band peaking at ~ 3.5 eV is intrinsic.