Impact of Surface Passivation on the Electronic Structure and Optical Properties of the Si1-xGex Nanowires

The electronic structures and optical properties of the [llO]-oriented Sil-xGex nanowires （NWs） passivated with different functional groups （-H, -F and-OH） are investigated by using first-principles calculations. The results show that surface passivation influences the characteristics of electronic band structures significantly： the band gap widths and types （direct or indirect） of the Si1-xGe, NWs with different terminators show complex and robust variations, and the effective masses of the electrons in the NWs can be modulated dramatically by the terminators. The study of optical absorption shows that the main peaks of the parallel polarization component of Si1-x Gex NWs passivated with the functional groups exhibit prominent changes both in height and position, and are red-shifted with respect to those of corresponding pure Si NWs, indicating the importance of both the terminators and Ge concentrations. Our results demonstrate that the electronic and optical properties of Si1-xGex NWs can be tuned by utilizing selected functional groups as well as particular Ge concentrations for customizing purposes.

Electronic Structure and Optical Properties in Uranium Dioxide:the First Principle Calculations

We report a study of the electronic structure and optical properties of uranium dioxide （U02） based on the ab-initio density-functional theory and using the generalized gradient approximation. To correctly describe the strong correlation between 5 f electrons of a uranium atom, we employ the on-site Hubbard U correction term and optimize the correlation parameter of the bulk uranium dioxide. Then we give the structural and electronic properties of the ground state of uranium dioxide. Based on the accurate electronic structure, we calculate the complex dielectric function of UO2 and the related optieM properties, such as reflectivity, refractive index, extinction index, energy loss spectra, and absorption coefficient.

Synthesis,Structure and Optical Properties of CdO Nanocrystals Directly Grown on Cd Foil

Semiconductor nanocrystals directly grown on the conducting metal can lower the contact resistance and can benefit the electron transfer between the semiconductor and the metal. In the present work, CdO nanocrystals are directly synthesized on the conducting Cd foil through a simple solvothermal method. Cd foil is used as the Cd2＋ source and the substrate. The average size of CdO nanocrystals is -23.1 nm by analyzing the XRD data. Moreover the growth mechanism is discussed. A hierarchic structure characterized by the nano rods and nano particles in the top and bottom layers, respectively, can be observed. From the UV-vis absorption analyzed by Taucs relation, the two different optical band gaps are obtained. The photoluminescence spectrum is obtained and studied.

Structural and Optical Properties of Cu2+ + Ce3+ Co-Doped ZnO by Solution Combustion Method

In this work, ZnO, Ce3+ doped ZnO (ZnO/Ce3+) and Cu2+ + Ce3+ co-doped ZnO (ZnO/Cu2+ + Ce3+ ) solid solutions powders were synthesized by a solution combustion method maintaining the Ce3+ ion concentration constant in 3%Wt while the Cu2+ ion concentration was varied in 1, 2, 3, 10 and 20%Wt. After its synthesis, all the samples were annealed at 900?C by 24 h. The ZnO, ZnO/Ce3+ and ZnO/Cu2+ + Ce3+ powders were structurally characterized using X-ray diffraction (XRD) technique, and the XRD patterns showed that for pure ZnO, Cu2+ undoped ZnO/Ce3+ and ZnO/Ce3+ doped with the Cu2+ ion, the three samples exhibited the hexagonal wurtzite ZnO crystalline structure. However, the morphology and particle size of both samples were observed by means of a scanning electron microscopy (SEM);from SEM image, it is observed that the crystallites of both samples are agglomerated forming bigger amorphous particles with an approximate average size of 1 μm. In addition, the photoluminescence of the ZnO, Ce3+ doped ZnO and Cu2+ + Ce3+ doped ZnO samples was measurement under an illumination of 209 nm wavelength (UV region): for the ZnO/Ce3+ sample, your emission spectrum is in the visible region from blue color until red color;the UV band of the ZnO is suppressed. The multicolor emission visible is attributed to the Ce3+ ion photoluminescence, while for the ZnO/Cu2+ + Ce3+, its emission PL spectrum is quenching by the Cu2+ ion, present in the ZnO crystalline.

Copper Ion Beam Irradiation-Induced Effects on Structural,Morphological and Optical Properties of Tin Dioxide Nanowires

The 0.8 Me V copper （ Cu） ion beam irradiation-induced effects on structural, morphological and optical properties of tin dioxide nanowires （Sn02 NWs） are investigated. The samples are irradiated at three different doses 5 × 10^12 ions/cm2, 1 ×10^13 ions/cm2 and 5 × 10^13 ions/em2 at room temperature. The XRD analysis shows that the tetragonal phase of Sn02 NWs remains stable after Cu ion irradiation, but with increasing irradiation dose level the crystal size increases due to ion beam induced coalescence of NWs. The FTIR spectra of pristine Sn02 NWs exhibit the chemical composition of SnO2 while the Cn-O bond is also observed in the FTIR spectra after Cu ion beam irradiation. The presence of Cu impurity in SnO2 is further confirmed by calculating the stopping range of Cu ions by using TRM/SRIM code. Optical properties of SnO2 NWs are studied before and after Cu ion irradiation. Band gap analysis reveMs that the band gap of irradiated samples is found to decrease compared with the pristine sample. Therefore, ion beam irradiation is a promising technology for nanoengineering and band gap tailoring.

Nonlinear optical and optical limiting properties of new structures of organic nonlinear optical materials for photonic applications

The nonlinear optical （NLO） and optical limiting （OL） properties of three new structures of organic NLO guest host Poly（N-vinylcarbozole）/disperse orange 3 （PVK/DO3）, PVK/disperse orange 13 （PVK/DO13）. and PVK/disperse orange 25 （PVK/DO25） as a solution at different concentrations and as a thin-film sample are studied using continuous wave z-scan system at 532 nm. The open-aperture z-scan data of the NLO materials in the solution and thin-film samples displayed two-photon and saturable absorptions, respectively. The PVK/DO13 exhibites the largest and best values of the nonlinearities, such as n2, β, X（3） compared with those of PVK/DO3 and PVK/DO25. This nonlinearity increases as the concentration increases. Tile results indicate that these NLO materials are good candidates for optical switching and OL devices.