Search results for "Optical"

Effects of Carbon-sp3 Bridging on the Electronic Properties of Oligothiophenes

1999

Abstract The electronic properties of rigidified, carbon sp 3 -bridged bithiophenes and terthiophenes have been investigated using density functional theory calculations, sp 3 Bridging has no effect on the bandgap other than that associated to the planarization of the system. Rigidification significantly improves the ability of oligothiophenes as electron donors but diminishes their electron accepting capacity. Grafting of substituents at the sp 3 bridging carbon slightly modifies the electronic properties.

Photoluminescence quantum yield exceeding 80% in low dimensional perovskite thin-films via passivation control

2017

Quasi-2D perovskites with the BA : MA molar ratio equal to 3 : 3 show a remarkable PLQY exceeding 80%, thanks to the use of an electron donor as the passivating agent. These films have been applied in LEDs that exhibit high brightness exceeding 1000 cd m−2 and current efficiencies >3 cd A−1.

Corresponding-pair procedure: a new approach to simulation of dichromatic color perception.

2004

The dichromatic color appearance of a chromatic stimulus T can be described if a stimulus S is found that verifies that a normal observer experiences the same sensation viewing S as a dichromat viewing T. If dichromatic and normal versions of the same color vision model are available, S can be computed by applying the inverse of the normal model to the descriptors of T obtained with the dichromatic model. We give analytical form to this algorithm, which we call the corresponding-pair procedure. The analytical form highlights the requisites that a color vision model must verify for this procedure to be used. To show the capabilities of the method, we apply the algorithm to different color vi…

Revealing the structure of the lensed quasar Q 0957+561. I. Accretion disk size

2021

We thank the anonymous referee for the helpful comments, and constructive remarks on this manuscript. We thank the GLENDAMA project for making publicly available the monitoring data of Q 0957+561. C.F. gratefully acknowledges the financial support from Tel Aviv University and University of Haifa through a DFG grant HA3555-14/1. E.M. and J.A.M are supported by the Spanish MINECO with the grants AYA2016- 79104-C3-1-P and AYA2016-79104-C3-3-P. J.A.M. is also supported from the Generalitat Valenciana project of excellence Prometeo/2020/085. J.J.V. is supported by the project AYA2017-84897-P financed by the Spanish Ministerio de Economia y Competividad and by the Fondo Europeo de Desarrollo Regi…

Nonlinear pressure dependence of the direct band gap in adamantine ordered-vacancy compounds

2010

A strong nonlinear pressure dependence of the optical absorption edge has been measured in defect chalcopyrites CdGa{sub 2}Se{sub 4} and HgGa{sub 2}Se{sub 4}. The behavior is due to the nonlinear pressure dependence of the direct band-gap energy in these compounds as confirmed by ab initio calculations. Our calculations for CdGa{sub 2}Se{sub 4}, HgGa{sub 2}Se{sub 4} and monoclinic {beta}-Ga{sub 2}Se{sub 3} provide evidence that the nonlinear pressure dependence of the direct band-gap energy is a general feature of adamantine ordered-vacancy compounds irrespective of their composition and crystalline structure. The nonlinear behavior is due to a conduction band anticrossing at the {Gamma} po…

Phonon calculations in cubic and tetragonal phases of SrTiO3: A comparative LCAO and plane-wave study

2011

The atomic, electronic structure and phonon frequencies have been calculated in cubic and low-temperature tetragonal SrTiO${}_{3}$ phases at the ab initio level. We demonstrate that the use of the hybrid exchange-correlation PBE0 functional gives the best agreement with experimental data. The results for the standard generalized gradient approximation (PBE) and hybrid PBE0 functionals are compared for the two types of approaches: a linear combination of atomic orbitals (CRYSTAL09 computer code) and plane waves (VASP5.2 code). The relation between cubic and tetragonal phases and the relevant antiferrodistortive phase transition is discussed in terms of group theory and is illustrated with an…

Orientational glass behaviour of K Br0.96(CN)0.04

1981

Ultrasonic measurements on the mixed crystal K Br0.96(CN)0.04 show a minimum of most of the elastic constants at 16 K. In addition we determinedc11(T) at 10 MHz and at 50 MHz observing dispersion effects. These results and previous Brillouin and neutron scattering results of other authors on higher CN-concentrations are interpreted by an orientational glass behaviour. A semiquantitative description is given in terms of the mean random field approximation.

Shaping Brillouin Light in Specialty Optical Fibers

2017

Theoretical modeling of antiferrodistortive phase transition forSrTiO3ultrathin films

2013

Combining group-theoretical analysis and first-principles density functional theory calculations, we confirm theoretically the antiferrodistortive phase transition in ultrathin SrTiO${}_{3}$ (001) TiO${}_{2}$-terminated films and compare it with a similar transition in the bulk. We demonstrate phonon softening at the $M$ point of the surface Brillouin zone and analyze the change in the calculated electronic and phonon properties upon phase transition.

Formation of an unprecedented (CuBr)5 cluster and a zeolite-type 2D-coordination polymer: a surprising halide effect

2013

A unique pentanuclear cluster within a zeolite-type polymer ([Cu5(μ4-Br)(μ3-Br)2(μ2-Br)2](μ2-MeSPr)3)n (1; void space >81%) and a luminescent 1D ([Cu(μ3-I)]4(MeSPr)3)n polymer, 2, are formed when MeSPr reacts with CuBr and CuI.