243 resultados para Electronic band structure


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A novel optical interleaver scheme based on nested optical glass pairs is proposed. The assembly of pairs behaves as a cascaded Mach-Zehnder interferometer. The interleaver, with simple structure, low cost, and compact size, can be easily implemented with inexpensive material and mature preparation technology. Small channel spacing (<= 50 GHz), high isolation (<-30 dB), a wide, flat passband and stop band (> 2/11 period), and center-frequency tunability can be obtained simultaneously. An optimum design of a 50-GHz tunable interleaver based on this structure is given as an example. Its environmental temperature sensitivity and fabrication tolerance are also analyzed. (c) 2006 Society of Photo-Optical Instrumentation Engineers.

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A new composition content quaternary-alloy-based phase change thin film, Sb-rich AgInSbTe, has been prepared by DC-magnetron sputtering on a K9 glass substrate. After the film has been subsequently annealed at 200degreesC for 30 min, it becomes a crystalline thin film. The diffraction peak of antimony (Sb) are observed by shallow (0.5 degree) x-ray diffraction in the quaternary alloy thin film. The analyses of the measurement from differential scanning calorimetry (DSC) show that the crystallization temperature of the phase change thin film is about 190degreesC and increases with the heating rate. By Kissinger plot, the activation energy for crystallization is determined to be 3.05eV. The reflectivity, refractive index and extinction coefficient of the crystalline and amorphous phase change thin films are presented. The optical absorption coefficient of the phase change thin films as a function of photon energy is obtained from the extinction coefficient. The optical band gaps of the amorphous and crystallization phase change thin films are 0.265eV and 1.127eV, respectively.

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A novel metallized azo dye has been synthesized. The absorption spectra of the thin film and thermal characteristic are measured. Static optical recording properties with and without the Bi mask layer super-resolution near-field structure (Super-RENS) of the metal-azo dye are investigated. The results show that the metal-azo dye film has a broad absorbance band in the region of 450-650 nm and the maximum absorbance wavelength is located at 603 nm. It is also found that the new metallized azo dye occupies excellent thermal stability, initiatory decomposition temperature is at 270 degrees C and the mass loss is about 48% in a narrow temperature region (15 degrees C). The complex refractive index N (N = n + ik) is measured. High refractive index (n = 2.45) and low extinction coefficient (k = 0.2) at the recording wavelength 650nm are attained. Static optical recording tests with and without Super-RENS are carried out using a 650nm semiconductor diode laser with recording power of 7mW and laser pulse duration of 200ns. The AFM images show that the diameter of recording mark on the dye film with the Bi mask layer is reduced about 42%, compared to that of recorded mark on the dye film without Super-RENS. It is indicated that Bi can well performed as a mask layer of the dye recording layer and the metallized azo dye can be a promising candidate for recording media with the super-resolution near-field structure.

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The electronic structures and absorption spectra for the perfect PbMoO4 crystal and the crystal containing lead vacancy V-Pb(2-) with lattice structure optimized are calculated using density functional theory code CASTEP. The calculated absorption spectra of the PbMoO4 crystal containing V-Pb(2-) exhibit three absorption bands peaking at 2.0 eV (620 nm), 3.0 eV (413 run) and 3.3 eV (375 nm), which are in good agreement with experimental values. The theory predicts that the 390 nm, 430 nm and 580 run absorption bands are related to the existence of V-Pb(2-) in the PbMoO4 crystal.

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ZnO/MgF2/ZnO sandwich structure films were fabricated. The effects of a buffer layer on structure and optical properties of ZnO films were investigated by X-ray diffraction, photoluminescence, optical transmittance and absorption measurements. Measurement results showed that the buffer layer had the effects of improving the quality of ZnO films and releasing the residual stresses in the films. The near-band edge emissions of ZnO films deposited on the MgF2 buffer layer were significantly enhanced compared with those deposited on bare substrate due to the smaller lattice mismatch between MgF2 and ZnO than that between fused silica and ZnO. (c) 2006 Elsevier B.V. All rights reserved.

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ZnO/ITO/ZnO sandwich structure films were fabricated. The effects of buffer layer on the structure and optical properties of ZnO films were investigated by x-ray diffraction (XRD), photoluminescence, optical transmittance, and absorption measurements. XRD spectra indicate that a buffer layer has the effects of lowering the grain orientation of ZnO films and increasing the residual stresses in the films. The near-band-edge emissions of ZnO films deposited on both single indium tin oxide (ITO) buffer and ITO/ZnO double buffers are significantly enhanced compared with that deposited on a bare substrate due to the quantum confinement effect. (C) 2006 American Institute of Physics.

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A series of ZnO thin films were deposited on ZnO buffer layers by DC reactive magnetron sputtering. The buffer layer thickness determination of microstructure and optical properties of ZnO films was investigated by X-ray diffraction (XRD), photoluminescence (PL), optical transmittance and absorption measurements. XRD results revealed that the stress of ZnO thin films varied with the buffer layer thickness. With the increase of buffer layer thickness, the band gap edge shifted toward longer wavelength. The near-band-edge (NBE) emission intensity of ZnO films deposited on ZnO buffer layer also varied with the increase of thickness due to the spatial confinement increasing the Coulomb interaction between electrons and holes. The PL measurement showed that the optimum thickness of the ZnO buffer layer was around 12 nm. (c) 2005 Elsevier B.V. All rights reserved.

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ZnO films prepared by the thermal oxidation of the ZnS films through thermal evaporation are reported. The as-deposited ZnS films have transformed to ZnO films completely at 400 degrees C. The 400-700 degrees C annealed films with a preferential c-axis (002) orientation have a hexagonal wurtzite structure. The band gap of ZnO films shifts towards longer wavelength with the increase of the annealing temperature. The relationship between the band gap energy of ZnO films and the grain size is discussed. The shift of the band gap energy can be ascribed to the quantum confinement effect in nanocrystal ZnO films. The photoluminescence spectra of ZnO films show a dominant ultraviolet emission and no deep level or trap state defect emission in the green region. It confirms the absence of interstitial zinc or oxygen vacancies in ZnO films. These results indicate that ZnO film prepared by this simple thermal oxidation method is a promising candidate for optoelectronic devices and UV laser. (c) 2005 Elsevier BN. All rights reserved.

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Zinc oxide (ZnO) films with c-oriented were grown on fused quartz glass substrates at room temperature using dc reactive magnetron sputtering. The as-grown films were annealed at 700 degrees C in air and bombarded by ion beam, respectively. The effects of post-treatments on the structural and optical properties of the ZnO films were investigated by X-ray diffraction (XRD), photoluminescence (PL), optical transmittance and absorption measurements. The XRD spectra indicate that the crystal quality of ZnO films has been improved by both the post-treatments. Compared with the as-grown sample, both annealed and bombarded samples exhibited blueshift in the UV emission peaks, and a strong green emission was found in the annealed ZnO film. In both optical transmittance and absorption spectra, a blueshift of the band-gap edge was observed in the bombarded film, while a redshift was observed in the annealed film. (c) 2004 Elsevier B.V. All rights reserved.

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CO2 laser irradiation experiments on ZnO thin films are reported. The structural, optical, luminescent and vibrational properties of the samples were investigated by X-ray diffraction (XRD), transmittance, photoluminescence (PL) and Raman measurements. XRD results show that the crystalline of the irradiated films was improved. The (002) peaks of irradiated ZnO films shift to. higher 20 angles due to the stress relaxation in the case of laser beam irradiation. From optical transmittance spectra, all films exhibit high transmittance in the visible range, the optical band edge of irradiated films showed a redshift compared with that of as-grown films. Compared with the as-grown films, the photoluminescence emission (in particular the relative intensities of visible emissions) intensities of irradiated samples enhanced. In the Raman scattering spectral both the A I. and E modes exhibited slight Raman blueshift. (c) 2005 Elsevier B.V. All rights reserved.

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In this study, by the use of partial least squares (PLS) method and 26 quantum chemical descriptors computed by PM3 Hamiltonian, a quantitative structure-property relationship (QSPR) model was developed for reductive dehalogenation rate constants of 13 halogenated aliphatic compounds in sediment slurry under anaerobic conditions. The model can be used to explain the dehalogenation mechanism. Halogenated aliphatic compounds with great energy of the lowest unoccupied molecular orbital (E-lumo), total energy (TE), electronic energy (EE), the smallest bond order of the carbon-halogen bonds (BO) and the most positive net atomic charges on an atom of the molecule (q(+)) values tend to be reductively dehalogenated slow, whereas halogenated aliphatic compounds with high values of molecular weight (Mw), average molecular polarizability (a) and core-core repulsion energy (CCR) values tend to be reductively dehalogenated fastest. (C) 2001 Published by Elsevier Science Ltd.

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On the basis of the density functional theory (DFT) within local density approximations (LDA) approach, we calculate the band gaps for different size SnO2 quantum wire (QWs) and quantum dots (QDs). A model is proposed to passivate the surface atoms of SnO2 QWs and QDs. We find that the band gap increases between QWs and bulk evolve as Delta E-g(wire) = 1.74/d(1.20) as the effective diameter d decreases, while being Delta E-g(dot) = 2.84/d(1.26) for the QDs. Though the similar to d(1.2) scale is significantly different from similar to d(2) of the effective mass result, the ratio of band gap increases between SnO2 QWs and QDs is 0.609, very close to the effective mass prediction. We also confirm, although the LDS calculations underestimate the band gap, that they give the trend of band gap shift as much as that obtained by the hybrid functional (PBE0) with a rational mixing of 25% Fock exchange and 75% of the conventional Perdew-Burke-Ernzerhof (PBE) exchange functional for the SnO2 QWs and QDs. The relative deviation of the LDA calculated band gap difference Lambda E-g compared with the corresponding PBE0 results is only within 5%. Additionally, it is found the states of valence band maximum (VBM) and conduction band minimum (CBM) of SnO2 QWs or QDs have a mostly p- and s-like envelope function symmetry, respectively, from both LDA and PBE0 calculations.

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First-principles calculations; ZnO nanofilms; Electronic properties; Quantum effects; NANOBELTS; NANORINGS; WURTZITE; ENERGY Abstract: Using first-principles density-functional calculations, we have studied the structural and electronic properties Of Ultrathin ZnO {0001} nanofilms. The structural parameters, the charge densities, band structures and density of states have been investigated. The results show that there are remarkable charge transfers from Zn to O atoms in the ZOO nanofilms. All the ZOO nanofilms exhibit direct wide band gaps compared with bulk counterpart, and the gap decreases with increased thickness of the nanofilms. The decreased band gap is associated with the weaker ionic bonding within layers and the less localization of electrons in thicker films. A staircase-like density of states occurs at the bottom of conduction band, indicating the two-dimensional quantum effects in ZnO nanofilms.

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Using first-principles methods we have calculated electronic structures, optical properties, and hole conductivities of CuXO2 (X=Y, Sc, and Al). We show that the direct optical band gaps of CuYO2 and CuScO2 are approximately equal to their fundamental band gaps and the conduction bands of them are localized. The direct optical band gaps of CuXO2 (X=Y, Sc, and Al) are 3.3, 3.6, and 3.2 eV, respectively, which are consistent with experimental values of 3.5, 3.7, and 3.5 eV. We find that the hole mobility along long lattice c is higher than that along other directions through calculating effective masses of the three oxides. By analyzing band offset we find that CuScO2 has the highest valence band maximum (VBM) among CuXO2 (X=Y, Sc, and Al). In addition, the approximate transitivity of band offset suggests that CuScO2 has a higher VBM than CuGaO2 and CuInO2 [Phys. Rev. Lett. 88, 066405 (2002)]. We conclude that CuScO2 has a higher p-type doping ability in terms of the doping limit rule. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2991157]

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A theoretical analysis has been performed by means of the plane-wave expansion method to examine the dispersion properties of photons at high symmetry points of an InP based two-dimensional photonic crystal with square lattice. The Q factors are compared qualitatively. The mechanism of surface-emitting is due to the photon manipulation by periodic dielectric materials in terms of Bragg diffraction. A surface-emitting photonic crystal resonator is designed based on the phenomenon of slow light. Photonic crystal slabs with different unit cells are utilized in the simulation. The results indicate that the change of the air holes can affect the polarization property of the modes. So we can find a way to improve the polarization by reducing the symmetry of the structure.