Valence band offset of ZnO/BaTiO3 heterojunction measured by X-ray photoelectron spectroscopy

X-ray photoelectron spectroscopy has been used to measure the valence band offset of the ZnO/BaTiO3 heterojunction grown by metal-organic chemical vapor deposition. The valence band offset (VBO) is determined to be 0.48 +/- 0.09 eV, and the conduction band offset (CBO) is deduced to be about 0.75 eV using the band gap of 3.1 eV for bulk BaTiO3. It indicates that a type-II band alignment forms at the interface, in which the valence and conduction bands of ZnO are concomitantly higher than those of BaTiO3. The accurate determination of VBO and CBO is important for use of semiconductor/ferroelectric heterojunction multifunctional devices.

Microscopic analysis of defects in a high resistivity silicon detector irradiated to 1.7x10(15)n/cm(2)

Current-based microscopic defect analysis methods with optical filling techniques, namely current deep level transient spectroscopy (I-DLTS) and thermally stimulated current (TSC), have been used to study defect levels in a high resistivity silicon detector (p(+)-n-n(+)) induced by very high fluence neutron (VHFN) irradiation (1.7x10(15) n/cm(2)). As many as fourteen deep levels have been detected by I-DLTS. Arrhenius plots of the I-DLTS data have shown defects with energy levels ranging from 0.03 eV to 0.5 eV in the energy band gap. Defect concentrations of relatively shallow levels (E(t) < 0.33 eV) are in the order of 10(13)cm(-3), while those for relatively deep levels (E(t) > 0.33 eV) are in the order of 10(14) cm(-3). TSC data have shown similar defect spectra. A full depletion voltage of about 27,000 volts has been estimated by C-V measurements for the as-irradiated detector, which corresponds to an effective space charge density (N-eff) in the order of 2x10(14) cm(-3). Both detector leakage current and full depletion voltage have been observed to increase with elevated temperature annealing (ETA). The increase of the full depletion voltage corresponds to the increase of some deep levels, especially the 0.39 eV level. Results of positron annihilation spectroscopy have shown a decrease of total concentration of vacancy related defects including vacancy clusters with ETA, suggesting the breaking up of vacancy clusters as possible source of vacancies for the formation of single defects during the reverse anneal.

Shape evolution of CdSe nanocrystals in vegetable oils: A synergistic effect of selenium precursor

In this contribution, common vegetable oils are used as coordination solvents for synthesis of high quality CdSe nanocrystals. Various shaped nanocrystals (quantum dots, quantum rods, multipods, arc structure, etc.) can be produced free of alkylphosphonic acids. Shape evolution can be induced by three types of selenium precursors: ODE-Se, VO-Se and TOP-Se (ODE, 1-octadecene; VO, vegetable oil; TOP, trio-n-octylphosphine). The quantum yields of NCs are 15-40%. The full width at half-maximum (fwhm) of the photoluminescence spectra are 27 +/- 1 nm for quantum clots and 23 +/- 1 nm for quantum rods/multipods.

Synchrotron-laser pump-probe luminescence spectroscopy: Correlation of electronic defect states with x-ray absorption in wide-gap solids

Poolton, Nigel; Hamilton, B.; Evans, D.A., (2005) 'Synchrotron-laser pump-probe luminescence spectroscopy: Correlation of electronic defect states with x-ray absorption in wide-gap solids', Journal of Physics D: Applied Physics 38 pp.1478-1484 RAE2008

Artificial opal photonic crystals and inverse opal structures - fundamentals and applications from optics to energy storage

Photonic crystals (PhCs) influence the propagation of light by their periodic variation in dielectric contrast or refractive index. This review outlines the attractive optical qualities inherent to most PhCs namely the presence of full or partial photonic band gaps and the possibilities they present towards the inhibition of spontaneous emission and the localization of light. Colloidal self-assembly of polymer or silica spheres is one of the most favoured and low cost methods for the formation of PhCs as artificial opals. The state of the art in growth methods currently used for colloidal self-assembly are discussed and the use of these structures for the formation of inverse opal architectures is then presented. Inverse opal structures with their porous and interconnected architecture span several technological arenas - optics and optoelectronics, energy storage, communications, sensor and biological applications. This review presents several of these applications and an accessible overview of the physics of photonic crystal optics that may be useful for opal and inverse opal researchers in general, with a particular emphasis on the recent use of these three-dimensional porous structures in electrochemical energy storage technology. Progress towards all-optical integrated circuits may lie with the concepts of the photonic crystal, but the unique optical and structural properties of these materials and the convergence of PhC and energy storage disciplines may facilitate further developments and non-destructive optical analysis capabilities for (electro)chemical processes that occur within a wide variety of materials in energy storage research.

High-gain subwavelength resonant cavity antennas based on metamaterial ground planes

Planar metarnaterial Surfaces with negative reflection phase values are proposed as ground planes in a high-gain resonant cavity antenna configuration. The antenna is formed by the metarnaterial ground plane (MGP) and a superimposed metallodielectric electromagnetic band gap (MEBG) array that acts as a partially reflective surface (PRS). A single dipole positioned between the PRS and the ground IS utilised as the excitation. Ray analysis is employed to describe the functioning of the antennas and to qualitatively predict the effect of the MGP oil the antenna performance. By employing MGPs with negative reflection phase values, the planar antenna profile is reduced to subwavelength values (less than lambda/6) whilst maintaining high directivity. Full-wave simulations have been carried out with commercially available software (Microstripes (TM)). The effect of the finite PRS size on the antenna radiation performance (directivity and sidelobe level) is studied. A prototype has been fabricated and tested experimentally in order to validate the predictions.

Tailoring the AMC and EBG characteristics of periodic metallic arrays printed on grounded dielectric substrate

The artificial magnetic conductor (AMC) and electromagnetic band gap (EBG) characteristics of planar periodic metallic arrays printed on grounded dielectric substrate are investigated. The currents induced on the arrays are presented for the first time and their study reveals two distinct resonance phenomena associated with these surfaces. A new technique is presented to tailor the spectral position of the AMC operation and the EBG. Square patch arrays with fixed element size and variable periodicities are employed as working examples to demonstrate the dependence of the spectral AMC and EBG characteristics on array parameters. It is revealed that as the array periodicity is increased, the AMC frequency is increased, while the EBG frequency is reduced. This is shown to occur due to the different nature of the resonance phenomena and the associated underlying physical mechanisms that produce the two effects. The effect of substrate thickness is also investigated. Full wave method of moments (MoM) has been employed for the derivation of the reflection characteristics, the currents and the dispersion relations. A uniplanar array with simultaneous AMC and EBG operation is demonstrated theoretically and experimentally.

Multilayer mirrored bubbles with spatially-chirped and elastically-tuneable optical bandgaps

We demonstrate the multifolding Origami manufacture of elastically-deformable Distributed Bragg Reflector (DBR) membranes that reversibly color-tune across the full visible spectrum without compromising their peak reflectance. Multilayer films composed of alternating transparent rubbers are fixed over a 300 mu m wide pinhole and deformed by pressure into a concave shape. Pressure-induced color tuning from the near-IR to the blue arises from both changes in thickness of the constituent layers and from tilting of the curved DBR surfaces. The layer thickness and color distribution upon deformation, the band-gap variation and the repeatability of cyclic color tuning, are mapped through micro-spectroscopy. Such spatially-dependent thinning of the film under elastic deformation produces spatial chirps in the color, and are shown to allow reconstruction of complex 3D strain distributions. (C) 2012 Optical Society of America

Low Profile Multi-Band Antenna for Mobile Communications

In this paper, the design of low profile antennas by using Electromagnetic Band Gap (EBG) structures is introduced. Taking advantage of the fact that they can behave as Perfect Magnetic Conductor (PMC), it is shown that these structures exhibit dual band in-phase reflection at WLAN (Wireless Local Area Network) bands, the 2.4 GHz and 5.2 GHz bands. These structures are applied to PIFA (Planar Inverted-F Antenna) and the results show that it is possible to obtain low profile PIFA's.

Etudes ab initio des effets de la température sur le spectre optique des semi-conducteurs

Thèse réalisée en cotutelle avec l'Université Catholique de Louvain (Belgique)

Synthèse de nouveaux matériaux conducteurs comportant des unités aromatiques conjuguées et analyse de leurs propriétés physico-chimiques

Les matériaux conjugués ont fait l’objet de beaucoup de recherches durant les dernières années. Les nouveaux matériaux présentent des propriétés intéressantes que ce soit au niveau optique, électrique, mécanique ou même les trois en même temps. La synthèse reste la difficulté principale dans la fabrication de dispositifs électroniques. Les méthodes utilisées pour y parvenir sont l’électropolymérisation, le couplage de Suzuki ou de Wittig. Ces techniques comportent encore de nombreuses contraintes et s’avèrent difficilement réalisables à grande échelle. Les thiophènes, les pyrroles et les furanes ont démontré une bonne conductibilité et une bande de conduction basse due à une conjugaison accrue. L’objectif ici est de synthétiser des oligomères principalement composés de thiophènes dans le but d’en caractériser les propriétés spectroscopiques, électrochimiques et de conduction. La synthèse est souvent l’étape délicate de la fabrication de matériaux conjugués. Nous présentons ici une méthode de synthèse simple par modules avec des unités hétérocycliques. Les modules complémentaires sont attachés par condensation entre un aldéhyde et une amine menant à la formation d’un lien robuste, l’azomethine. Les résultats des propriétés photophysiques et électrochimiques de ces matériaux conjugués seront présentés. En ayant recours à différents groupes électrodonneurs et électroaccepteurs, en variant le degré de conjugaison ou en utilisant différents hétérocycles, les propriétés spectroscopiques, électrochimiques et de bande de conduction peuvent être adaptées à volonté, ce qui en fait des matériaux aux propriétés modelables. Ces nouvelles molécules seront analysées pour en déceler les propriétés recherchées dans la fabrication d’OLED. Nous explorerons les domaines de l’oxidation electrochimique réversible et de la polymérisation menant à la fabrication de quelques prototypes simples.

Synthesis, Characterization and Applications of Modified TiO2 Systems

This thesis is divided in to 9 chapters and deals with the modification of TiO2 for various applications include photocatalysis, thermal reaction, photovoltaics and non-linear optics. Chapter 1 involves a brief introduction of the topic of study. An introduction to the applications of modified titania systems in various fields are discussed concisely. Scope and objectives of the present work are also discussed in this chapter. Chapter 2 explains the strategy adopted for the synthesis of metal, nonmetal co-doped TiO2 systems. Hydrothermal technique was employed for the preparation of the co-doped TiO2 system, where Ti[OCH(CH3)2]4, urea and metal nitrates were used as the sources for TiO2, N and metals respectively. In all the co-doped systems, urea to Ti[OCH(CH3)2]4 was taken in a 1:1 molar ratio and varied the concentration of metals. Five different co-doped catalytic systems and for each catalysts, three versions were prepared by varying the concentration of metals. A brief explanation of physico-chemical techniques used for the characterization of the material was also presented in this chapter. This includes X-ray Diffraction (XRD), Raman Spectroscopy, FTIR analysis, Thermo Gravimetric Analysis, Energy Dispersive X-ray Analysis (EDX), Scanning Electron Microscopy(SEM), UV-Visible Diffuse Reflectance Spectroscopy (UV-Vis DRS), Transmission Electron Microscopy (TEM), BET Surface Area Measurements and X-ray Photoelectron Spectroscopy (XPS). Chapter 3 contains the results and discussion of characterization techniques used for analyzing the prepared systems. Characterization is an inevitable part of materials research. Determination of physico-chemical properties of the prepared materials using suitable characterization techniques is very crucial to find its exact field of application. It is clear from the XRD pattern that photocatalytically active anatase phase dominates in the calcined samples with peaks at 2θ values around 25.4°, 38°, 48.1°, 55.2° and 62.7° corresponding to (101), (004), (200), (211) and (204) crystal planes (JCPDS 21-1272) respectively. But in the case of Pr-N-Ti sample, a new peak was observed at 2θ = 30.8° corresponding to the (121) plane of the polymorph brookite. There are no visible peaks corresponding to dopants, which may be due to their low concentration or it is an indication of the better dispersion of impurities in the TiO2. Crystallite size of the sample was calculated from Scherrer equation byusing full width at half maximum (FWHM) of the (101) peak of the anatase phase. Crystallite size of all the co-doped TiO2 was found to be lower than that of bare TiO2 which indicates that the doping of metal ions having higher ionic radius into the lattice of TiO2 causes some lattice distortion which suppress the growth of TiO2 nanoparticles. The structural identity of the prepared system obtained from XRD pattern is further confirmed by Raman spectra measurements. Anatase has six Raman active modes. Band gap of the co-doped system was calculated using Kubelka-Munk equation and that was found to be lower than pure TiO2. Stability of the prepared systems was understood from thermo gravimetric analysis. FT-IR was performed to understand the functional groups as well as to study the surface changes occurred during modification. EDX was used to determine the impurities present in the system. The EDX spectra of all the co-doped samples show signals directly related to the dopants. Spectra of all the co-doped systems contain O and Ti as the main components with low concentrations of doped elements. Morphologies of the prepared systems were obtained from SEM and TEM analysis. Average particle size of the systems was drawn from histogram data. Electronic structures of the samples were identified perfectly from XPS measurements. Chapter 4 describes the photocatalytic degradation of herbicides Atrazine and Metolachlor using metal, non-metal co-doped titania systems. The percentage of degradation was analyzed by HPLC technique. Parameters such as effect of different catalysts, effect of time, effect of catalysts amount and reusability studies were discussed. Chapter 5 deals with the photo-oxidation of some anthracene derivatives by co-doped catalytic systems. These anthracene derivatives come underthe category of polycyclic aromatic hydrocarbons (PAH). Due to the presence of stable benzene rings, most of the PAH show strong inhibition towards biological degradation and the common methods employed for their removal. According to environmental protection agency, most of the PAH are highly toxic in nature. TiO2 photochemistry has been extensively investigated as a method for the catalytic conversion of such organic compounds, highlighting the potential of thereof in the green chemistry. There are actually two methods for the removal of pollutants from the ecosystem. Complete mineralization is the one way to remove pollutants. Conversion of toxic compounds to another compound having toxicity less than the initial starting compound is the second way. Here in this chapter, we are concentrating on the second aspect. The catalysts used were Gd(1wt%)-N-Ti, Pd(1wt%)-N-Ti and Ag(1wt%)-N-Ti. Here we were very successfully converted all the PAH to anthraquinone, a compound having diverse applications in industrial as well as medical fields. Substitution of 10th position of desired PAH by phenyl ring reduces the feasibility of photo reaction and produced 9-hydroxy 9-phenyl anthrone (9H9PA) as an intermediate species. The products were separated and purified by column chromatography using 70:30 hexane/DCM mixtures as the mobile phase and the resultant products were characterized thoroughly by 1H NMR, IR spectroscopy and GCMS analysis. Chapter 6 elucidates the heterogeneous Suzuki coupling reaction by Cu/Pd bimetallic supported on TiO2. Sol-Gel followed by impregnation method was adopted for the synthesis of Cu/Pd-TiO2. The prepared system was characterized by XRD, TG-DTG, SEM, EDX, BET Surface area and XPS. The product was separated and purified by column chromatography using hexane as the mobile phase. Maximum isolated yield of biphenyl of around72% was obtained in DMF using Cu(2wt%)-Pd(4wt%)-Ti as the catalyst. In this reaction, effective solvent, base and catalyst were found to be DMF, K2CO3 and Cu(2wt%)-Pd(4wt%)-Ti respectively. Chapter 7 gives an idea about the photovoltaic (PV) applications of TiO2 based thin films. Due to energy crisis, the whole world is looking for a new sustainable energy source. Harnessing solar energy is one of the most promising ways to tackle this issue. The present dominant photovoltaic (PV) technologies are based on inorganic materials. But the high material, low power conversion efficiency and manufacturing cost limits its popularization. A lot of research has been conducted towards the development of low-cost PV technologies, of which organic photovoltaic (OPV) devices are one of the promising. Here two TiO2 thin films having different thickness were prepared by spin coating technique. The prepared films were characterized by XRD, AFM and conductivity measurements. The thickness of the films was measured by Stylus Profiler. This chapter mainly concentrated on the fabrication of an inverted hetero junction solar cell using conducting polymer MEH-PPV as photo active layer. Here TiO2 was used as the electron transport layer. Thin films of MEH-PPV were also prepared using spin coating technique. Two fullerene derivatives such as PCBM and ICBA were introduced into the device in order to improve the power conversion efficiency. Effective charge transfer between the conducting polymer and ICBA were understood from fluorescence quenching studies. The fabricated Inverted hetero junction exhibited maximum power conversion efficiency of 0.22% with ICBA as the acceptor molecule. Chapter 8 narrates the third order order nonlinear optical properties of bare and noble metal modified TiO2 thin films. Thin films were fabricatedby spray pyrolysis technique. Sol-Gel derived Ti[OCH(CH3)2]4 in CH3CH2OH/CH3COOH was used as the precursor for TiO2. The precursors used for Au, Ag and Pd were the aqueous solutions of HAuCl4, AgNO3 and Pd(NO3)2 respectively. The prepared films were characterized by XRD, SEM and EDX. The nonlinear optical properties of the prepared materials were investigated by Z-Scan technique comprising of Nd-YAG laser (532 nm,7 ns and10 Hz). The non-linear coefficients were obtained by fitting the experimental Z-Scan plot with the theoretical plots. Nonlinear absorption is a phenomenon defined as a nonlinear change (increase or decrease) in absorption with increasing of intensity. This can be mainly divided into two types: saturable absorption (SA) and reverse saturable absorption (RSA). Depending on the pump intensity and on the absorption cross- section at the excitation wavelength, most molecules show non- linear absorption. With increasing intensity, if the excited states show saturation owing to their long lifetimes, the transmission will show SA characteristics. Here absorption decreases with increase of intensity. If, however, the excited state has strong absorption compared with that of the ground state, the transmission will show RSA characteristics. Here in our work most of the materials show SA behavior and some materials exhibited RSA behavior. Both these properties purely depend on the nature of the materials and alignment of energy states within them. Both these SA and RSA have got immense applications in electronic devices. The important results obtained from various studies are presented in chapter 9.

First-principles calculation of the AlAs/GaAs interface band structure using a self-energy-corrected local density approximation

We apply a self-energy-corrected local density approximation (LDA) to obtain corrected bulk band gaps and to study the band offsets of AlAs grown on GaAs (AlAs/GaAs). We also investigate the Al(x)Ga(1-x)As/GaAs alloy interface, commonly employed in band gap engineering. The calculations are fully ab initio, with no adjustable parameters or experimental input, and at a computational cost comparable to traditional LDA. Our results are in good agreement with experimental values and other theoretical studies. Copyright (C) EPLA, 2011

Joint Experimental and Theoretical Analysis of Order Disorder Effects in Cubic BaZrO(3) Assembled Nanoparticles under Decaoctahedral Shape

Periodic first-principles calculations based on density functional theory at the B3LYP level has been carried out to investigate the photoluminescence (PL) emission of BaZrO(3) assembled nanoparticles at room temperature. The defect created in the nanocrystals and their resultant electronic features lead to a diversification of electronic recombination within the BaZrO(3) band gap. Its optical phenomena are discussed in the light of photoluminescence emission at the green-yellow region around 570 nm. The theoretical model for displaced atoms and/or angular changes leads to the breaking of the local symmetry, which is based on the refined structure provided by Rietveld methodology. For each situation a band structure, charge mapping, and density of states were built and analyzed. X-ray diffraction (XRD) patterns, UV-vis measurements, and field emission scanning electron microscopy (FE-SEM) images are essential for a full evaluation of the crystal structure and morphology.

Dispositivos planares integrados utilizando método dinâmico com metamateriais e PBG

This work presents a theoretical, numerical and computation analysis of parameters of a rectangular microstrip antenna with metamaterial substrate, fin line as a coupler and also integrated devices like integrated filter antenna. It is applied theory to full-wave of Transverse Transmission Line - TTL method, to characterize the magnitude of the substrate and obtain the general equations of the electromagnetic fields. About the metamaterial, they are characterized by permittivity and permeability tensor, reaching to the general equations for the electromagnetic fields of the antenna. It is presented a study about main representation of PBG(Photonic Band Gap) material and its applied for a specific configuration. A few parameters are simulated some structures in order to reduce the physical dimensions and increase the bandwidth. The results are presented through graphs. The theoretical and computational analysis of this work have shown accurate and relatively concise. Conclusions are drawn and suggestions for future work