Search results for "Optical propertie"

Ab initio simulations on the atomic and electronic structure of single-walled BN nanotubes and nanoarches

2009

To simulate the perfect single-walled boron nitride nanotubes and nanoarches with armchair- and zigzag-type chiralities and uniform diameter of � 5 nm, we have constructed their one-dimensional (1D) periodic models. In this study, we have compared the calculated properties of nanotubes with those for both hexagonal and cubic phases of bulk: bond lengths, binding energies per B–N bond, effective atomic charges as well as parameters of total and projected one-electron densities of states. For both phases of BN bulk, we have additionally verified their lattice constants. In the density functional theory (DFT), calculations performed using formalism of the localized Gaussian-type atomic functio…

The influence of nitrogen incorporation on the optical properties of anodic Ta2O5

2012

Abstract Anodic oxides were grown on sputter-deposited Ta in different aqueous solutions. A photoelectrochemical investigation was performed in order to estimate the band gap of the films as a function of the anodizing bath composition and formation voltage, i.e. thickness. Photoelectrochemical results provided evidence of sub-band gap photocurrent for films formed in a bath containing ammonium ions at pH 9. Elemental depth profiles obtained by glow discharge optical emission spectroscopy revealed the presence of nitrogen species in the outer part of the anodic films, which is bonded to Ta according to XPS analysis. A mechanism of nitrogen incorporation is proposed in order to account for t…

Dependence of Exciton Mobility on Structure in Single-Walled Carbon Nanotubes

2010

Optically generated excitons in semiconducting single-walled carbon nanotubes (SWCNTs) display substantial diffusional mobility. This property allows excitons to encounter ∼104 carbon atoms during their lifetime and accounts for their efficient deactivation by sparse quenching sites. We report here experimental determinations of the mobilities of optically generated excitons in 10 different (n,m) species of semiconducting SWCNTs. Exciton diffusional ranges were deduced from measurements of stepwise photoluminescence quenching in selected individual SWCNTs coated with sodium deoxycholate surfactant and immobilized in agarose gel. A refined data analysis method deduced mean exciton ranges fro…

Gamma irradiation of graphene quantum dots with ethylenediamine: Antioxidant for ion sensing

2020

Due to the low consumption of chemicals, the absence of toxic residual side products, the procedure simplicity and time-saving aspects, gamma irradiation offers advantages over the classical chemical protocols. We successfully employed gamma irradiation in order to introduce N-atoms in Graphene Quantum Dots (GQDs). By irradiating GQDs water dispersions in the presence of isopropyl alcohol and ethylenediamine, at doses of 25, 50 and 200 kGy, we attached amino groups onto GQDs in a single synthetic step. At the same time, a chemical reduction is achieved, too. Selected conditions induced incorporation of N-atoms within GDQs atomic lattice (around 3 at%), at all applied doses. Additionally, th…

Charge control in laterally coupled double quantum dots

2011

4 figuras, 4 páginas.-- PACS number(s): 78.67.Hc, 73.21.La, 78.55.Cr

Spinorial formulation of the GW-BSE equations and spin properties of excitons in two-dimensional transition metal dichalcogenides

2021

In many paradigmatic materials, such as transition metal dichalcogenides, the role played by the spin degrees of freedom is as important as the one played by the electron-electron interaction. Thus an accurate treatment of the two effects and of their interaction is necessary for an accurate and predictive study of the optical and electronic properties of these materials. Despite the fact that the GW-BSE approach correctly accounts for electronic correlations, the spin-orbit coupling effect is often neglected or treated perturbatively. Recently, spinorial formulations of GW-BSE have become available in different flavors in material-science codes. However, an accurate validation and comparis…

Temperature dependence of the absorption properties of silanol groups in amorphous SiO2: Are silanol groups organized in clusters?

2011

Lattice Dynamics Study of HgGa2Se4 at High Pressures

2013

We report on Raman scattering measurements in mercury digallium selenide (HgGa2Se4) up to 25 GPa. We also performed, for the low-pressure defect-chalcopyrite structure, lattice-dynamics ab initio calculations at high pressures which agree with experiments. Measurements evidence that the semiconductor HgGa2Se4 exhibits a pressure-induced phase transition above 19 GPa to a previously undetected structure. This transition is followed by a transformation to a Raman-inactive phase above 23.4 GPa. On downstroke from 25 GPa until 2.5 GPa, a broad Raman spectrum was observed, which has been attributed to a fourth phase, and whose pressure dependence was followed during a second upstroke. Candidate …

Effects of thermal treatments in controlled atmosphere on the Ce oxidation state in Ce-Ti-Eu doped SiO2 sol-gel glasses

2011

We report an experimental study by optical absorption, photoluminescence and Raman spectroscopies of the modifications induced on Ce–Ti-Eu doped SiO2 glasses by thermal treatments in controlled atmosphere. Samples with Ce content varying up to 5,000 part per million by weight (ppm) and with Ti and Eu content fixed at 40 and 300 ppm respectively, have been investigated. The treatments were done in inert atmosphere of He and in O2 atmosphere at 390 C and 100 bar. Our experiments show that only Ce4? ions are affected by He treatments, whereas both Ce4? and Ce3? ions are affected by O2 treatments. The obtained results are interpreted on the basis of microstructural changes induced by the therma…

Boron doping of silicon rich carbides: Electrical properties

2013

Boron doped multilayers based on silicon carbide/silicon rich carbide, aimed at the formation of silicon nanodots for photovoltaic applications, are studied. X-ray diffraction confirms the formation of crystallized Si and 3C-SiC nanodomains. Fourier Transform Infrared spectroscopy indicates the occurrence of remarkable interdiffusion between adjacent layers. However, the investigated material retains memory of the initial dopant distribution. Electrical measurements suggest the presence of an unintentional dopant impurity in the intrinsic SiC matrix. The overall volume concentration of nanodots is determined by optical simulation and is shown not to contribute to lateral conduction. Remarka…