Search results for "Energy gap"
showing 10 items of 18 documents
Structural, electronic and energetic effects in heterocyclic fluorene derivatives fused with a fulvene unit
2019
Abstract A set of 36 heterocyclic (B, N and O) fluorene (C) derivatives fused in nine ways with fulvene ring have been analyzed by means of different local aromaticity criteria. Molecular geometry of analyzed compounds were optimized at B3LYP/6-311++G(2d,2p) level of theory. The evaluation of the local aromaticity has been carried out through the use of the geometry-based harmonic oscillator model of aromaticity (HOMA) and the magnetism-based zz‐component of the nucleus independent chemical shifts calculated 1 A above the ring center (NICS1zz) indices as well as one aromaticity index derived from the Quantum Theory Atoms in Molecules (QTAIM), i.e. the para-delocalization index (PDI). Additi…
Nonlinear femtosecond pulse propagation in an all-solid photonic bandgap fiber
2009
Nonlinear femtosecond pulse propagation in an all-solid photonic bandgap fiber is experimentally and numerically investigated. Guiding light in such fiber occurs via two mechanisms: photonic bandgap in the central silica core or total internal reflection in the germanium doped inclusions. By properly combining spectral filtering, dispersion tailoring and pump coupling into the fiber modes, we experimentally demonstrate efficient supercontinuum generation with controllable spectral bandwidth.
Ab initio calculations of pure and Co+2-doped MgF2 crystals
2020
This research was partly supported by the Kazakhstan Science Project № AP05134367«Synthesis of nanocrystals in track templates of SiO2/Si for sensory, nano- and optoelectronic applications», as well as by Latvian Research Council project lzp-2018/1-0214. Calculations were performed on Super Cluster (LASC) in the Institute of Solid State Physics (ISSP) of the University of Latvia. Authors are indebted to S. Piskunov for stimulating discussions.
The Effect of Electronic Properties of Anodized and Hard Anodized Ti and Ti6Al4V on Their Reactivity in Simulated Body Fluid
2022
The electronic properties of barrier and porous layers on Ti and Ti6Al4V were studied. Barrier anodic oxides grown to 40 V on Ti and on Ti6Al4V are both n-type semiconductors with a band gap of 3.3 eV and 3.4 eV respectively, in agreement with the formation of amorphous TiO2. Anodizing to 200 V at 20 mA cm−2 in calcium acetate and β-glycerol phosphate disodium pentahydrate leads to the formation of Ca and P containing porous films with a photoelectrochemical behaviour dependent on the metallic substrate. A band gap of 3.2 eV and the flat band potential of −0.5 V vs Ag/AgCl were measured for the porous oxide on Ti, while optical transitions at 2.15 eV and a significantly more positive flat b…
Heterovalent BiIII/PbII ionic substitution in one-dimensional trimethylsulfoxonium halide pseudo-perovskites (X = I, Br)
2021
We report on the synthesis and characterization of novel lead and bismuth hybrid (organic-inorganic) iodide and bromide pseudo-perovskites (ABX3) containing the trimethylsulfoxonium cation (CH3)3SO+ (TMSO) in the A site, Pb/Bi in the B site, and Br or I as X anions. All of these compounds are isomorphic and crystallize in the orthorhombic Pnma space group. Lead-based pseudo-perovskites consist of one-dimensional (1D) chains of face-sharing [PbX6] octahedra, while in the bismuth-based ones, the chains of [BiX6] are interrupted, with one vacancy every third site, leading to a zero-dimensional (0D) local structure based on separated [Bi2I9]3- dimers. Five solid solutions for the iodide with di…
Above-bandgap ordinary optical properties of GaSe single crystal
2009
We report above-bandgap ordinary optical properties of ε-phase GaSe single crystal. Reference-quality pseudodielectric function 〈ε(E)〉 = 〈ε1(E)〉+i〈ε2(E)〉 and pseudorefractive index 〈N(E)〉 = 〈n(E)〉+i〈k(E)〉 spectra were measured by spectroscopic ellipsometry from 0.73 to 6.45 eV at room temperature for the light polarization perpendicular to the optic axis (math⊥math). The 〈ε〉 spectrum exhibited several interband-transition critical-point structures. Analysis of second-energy derivatives calculated numerically from the measured data yielded the critical-point energy values. Carmen.Martinez-Tomas@uv.es
Neutron irradiation defects in gallium sulfide: Optical absorption measurements
1997
Gallium sulfide single crystals have been irradiated with different thermal neutron doses. Defects introduced by neutron irradiation turn out to be optically active, giving rise to absorption bands with energies ranging from 1.2 to 3.2 eV. Bands lying in the band-gap exhibit Gaussian shape. Their energies and widths are independent of the irradiation dose, but their intensities are proportional to it. Thermal annealing is completed in two stages, ending at around 500 and 720 K, respectively. Centers responsible for the absorption bands are proposed to be gallium-vacancy-galliuminterstitial complexes in which the distance between the vacancy (acceptor) and the interstitial (donor) determines…
Correlation between optical properties and barrier composition in InxGa1−xP/GaAs quantum wells
1998
9 páginas, 11 figuras.
Surface plasmon subwavelength optics.
2003
International audience; Surface plasmons are waves that propagate along the surface of a conductor. By altering the structure of a metal's surface, the properties of surface plasmons- in particular their interaction with light-can be tailored, which offers the potential for developing new types of photonic device. This could lead to miniaturized photonic circuits with length scales that are much smaller than those currently achieved. Surface plasmons are being explored for their potential in subwavelength optics, data storage, light generation, microscopy and bio-photonics.
Conformationally rigid molecular and polymeric naphthalene-diimides containing C6H6N2 constitutional isomers
2021
Organic thin films based on naphthalenediimides (NDIs) bearing alkyl substituents have shown interesting properties for application in OLEDs, thermoelectrics, solar cells, sensors and organic electronics. However, the polymorphic versatility attributed to the flexibility of alkyl chains remains a challenging issue, with detrimental implications on the performances. Aryl analogues containing C6H6N2 constitutional isomers are herein investigated as one of the possible way-out strategies. The synthesis of molecular and polymeric species is described, starting from naphthaleneteracarboxyldianhydride with isomeric aromatic amines and hydrazine. The materials are fully characterized by spectrosco…