Search results for "DEFECTS"

Computational study of defects in ideal phengite

2009

Phengite is the name of a series designating the “potassic dioctahedral micas between, or close to, the joins muscovite-aluminoceladonite and muscovite-celadonite” (Rieder et al. 1998). These micas play a important role in most petrogenetic reactions occurring in high-pressure (HP) metamorphic environments; they are useful geothermobarometers and participate in reactions as H2O carriers in the subduction zone. In this work we have employed atomistic simulations techniques to model defects, evaluate the most stable defect species and determine the most likely diffusion mechanism in crystals. We have calculated the defect formation energies for vacancies, impurities and interstitials, Frenkel…

Visual field defects,type A personality,anxiety and coping styles in patients with primary open angle Glaucoma

2012

Defect-related visible luminescence of silica nanoparticles

2013

The high photon emissivity in the visible spectral range is one of the most relevant phenomena emerging from the reduction of silica down to nanoscale; hence it is promising for the development of optical nanotechnologies (down converter, probes, display). It is well accepted that the origin of this luminescence is related to the high specific surface (~100 m2/g) that favors the formation of optically active defects at the nanosilica surface. With the aim to clarify the role of specific luminescent defects, here we report a detailed study of spectral and decay features by time-resolved photoluminescence spectra under a visible-UV tunable laser excitation. Our study is carried out on differe…

Vibrational properties of the surface-nonbridging oxygen in silica nanoparticles

2008

By studying the site-selective luminescence spectra of oxidized silica nanoparticles we identify the electronic and the vibrational lines associated with the surface nonbridging oxygen, $\ensuremath{\equiv}{\text{Si-O}}^{\ifmmode\bullet\else\textbullet\fi{}}$. This defect emits a zero-phonon line inhomogeneously distributed around 2.0 eV with full width at half maximum of 0.04 eV, weakly coupled with the local ${\text{Si-O}}^{\ifmmode\bullet\else\textbullet\fi{}}$ stretching mode whose frequency is measured to be $920\text{ }{\text{cm}}^{\ensuremath{-}1}$. These findings are different from those of the well-characterized defect in the bulk silica thus evidencing structural peculiarities of …

β-ray irradiation effects on silica nanoparticles

2015

By electron paramagnetic resonance (EPR) measurements, we examine the amplitude of the signal typically due to a combination of NBOHC (Non Bridging Hole Center) and POR (Peroxy Radical) defects induced by β-ray irradiation (from 1.2 to 1200 MGy) in silica nanoparticles with diameter ranging from 7 to 20 nm. Our data indicate that the signal line-shapes recorded at different doses is quite independent from the particles sizes and from the dose. Furthermore, for each considered nanoparticles size, the concentration of defects is also almost constant with respect to dose, and it does not change significantly if measured after 2 or 9 months from the irradiation. By contrast, we observed that th…

Self-limiting and complete oxidation of silicon nanostructures produced by laser ablation in water

2016

Oxidized Silicon nanomaterials produced by 1064 nm pulsed laser ablation in deionized water are investigated. High-resolution transmission electron microscopy coupled with energy dispersive X-ray spectroscopy allows to characterize the structural and chemical properties at a sub-nanometric scale. This analysis clarifies that laser ablation induces both self-limiting and complete oxidation processes which produce polycrystalline Si surrounded by a layer of SiO2 and amorphous fully oxidized SiO2, respectively. These nanostructures exhibit a composite luminescence spectrum which is investigated by time-resolved spectroscopy with a tunable laser excitation. The origin of the observed luminescen…

Nitrogen interstitial defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties

2019

The vibrational features of eight interstitial nitrogen related defects in silicon have been investigated at the first principles quantum mechanical level by using a periodic supercell approach, a hybrid functionals, an all electron Gaussian type basis set and the Crystal code. The list includes defects that will be indicated as Ni (one N atom forming a bridge between two Si atoms), Ni-Ns (one interstitial and one substitutional N atom linked to the same Si atom), Ni-Ni (two Ni defects linked to the same couple of silicon atoms) and Ni-Sii-Ni (two Ni defects linked to the same interstitial silicon atom). Four 〈0 0 1〉 split interstitial (dumbbell) defects have also been considered, in which …

Density of States characterization of TiO2 films deposited by Pulsed Laser Deposition for Heterojunction solar cells

2021

The application of titanium dioxide (TiO2) in the photovoltaic field is gaining traction as this material can be deployed in doping-free heterojunction solar cells with the role of electron selective contact. For modeling-based optimization of such contact, knowledge of the titanium oxide defect density of states is crucial. In this paper, we report a method to extract the defect density through nondestructive optical measures, including the contribution given by small polaron optical transitions. The presence of both related to oxygen-vacancy defects and polarons is supported by the results of optical characterizations and the evaluation of previous observations resulting in a defect band …

Defects induced by He+ irradiation in γ-Si3N4

2021

International audience; Formation and evolution of defect levels in the electronic structure of silicon nitride with cubic spinel structure, -Si 3 N 4 , after the irradiation with He + ions was investigated using spectroscopic techniques. Strong changes of cathodoluminescence (CL), photoluminescence (PL), photoluminescence excitation (PLE) and Raman spectra were detected. In particular, excitonic PL was significantly inhibited and a new near-IR band appeared with the band gap excitation h≥E g =5.05 eV. This was explained by an effective trapping of photoinduced electrons and holes by charged defects. The spectral shift of PL with the excitation photon energy indicated heterogeneous nature…

On the superconductivity of graphite interfaces

2014

We propose an explanation for the appearance of superconductivity at the interfaces of graphite with Bernal stacking order. A network of line defects with flat bands appears at the interfaces between two slightly twisted graphite structures. Due to the flat band the probability to find high temperature superconductivity at these quasi one-dimensional corridors is strongly enhanced. When the network of superconducting lines is dense it becomes effectively two-dimensional. The model provides an explanation for several reports on the observation of superconductivity up to room temperature in different oriented graphite samples, graphite powders as well as graphite-composite samples published i…