熔锥型光纤耦合器宽带特性研究

报道了在常规熔锥型单模光纤定向耦合器工艺基础上，以氢氟酸腐蚀法，将两光纤耦合区直径腐蚀成适当比例，用水平直接熔融拉锥系统，将耦合区域拉制成非对称臂组合波导，从而获得了具有宽频带特性、且尺寸较小的单模光纤定向耦合器，实验结果说明：通过控制耦合区长度，可以使耦合器耦合功率在某个特定波长附近、预定小于１００％分束比上具有相当平坦（宽带）特性；从而，通过控制组合波导的不同直径比，可望得到不同分束比宽带耦合     

线性缀加平面波法计算掺杂钨和钒锐钛矿二氧化钛的电子结构

利用基于密度泛函理论的线性缀加平面波(LAPW)法, 计算未掺杂和掺杂钨和钒的锐钛矿TiO₂晶体的能带和电子态密度. 计算结果表明, 钨和钒的掺杂能够使锐钛矿TiO₂的能带明显变窄.     

萘酞菁锌复合体系的光致电荷转移

合成了萘酞菁锌, 利用傅立叶红外光谱、元素分析和MALDI-TOF质谱等手段表征了分子结构; 循环伏安测试和吸收光谱确认了共轭体系的扩大使分子带隙下降. 根据材料加工性能的不同, 分别采用溶液法、层-层蒸镀(Layer-by-layer evaporation)法和单层分散旋涂法, 将给体分子萘酞菁锌与三种受体分子1-(3-甲氧基羧基)丙基-1-苯 基-[6,6]C61, C60和N,N’-二嘧啶基苝四羧基二酰亚胺进行了复合, 通过研究复合前后荧光变化, 确认了给体-受体两相界面处发生了由分子能级差引发的光致电荷转移, 为制备更宽光伏响应范围的太阳能电池器件提供了潜在的新途径.     

Variable-range hopping conductivity in Lu-doped Bi2Te3

The Seebeck coefficient enhancement due to an increase of density-of-states effective mass of electron has been found in n-type Bi_1.9Lu_0.1Te₃. This enhancement is assumed to be related to forming the narrow and non-parabolic impurity (Lu) band with local maximum of electronic density of states lying near the Fermi level. Minimum in the specific electrical resistivity, ρ, originated from change of conductivity mechanism was observed at temperature T_m ≈ 11 K. Above T_m, the ρ change is due to decrease of electron mobility via acoustic phonon scattering. Below T_m, the variable-range hopping conductivity takes place. The electron hops between the localized states of the impurity energy band occur via tunneling process. Using the temperature and magnetic field dependences of ρ, the localization radius of electron was estimated as ≈6 nm. Two parts in the magnetic field dependence of the electrical resistivity were found at temperature of 2 K. At weak magnetic fields, the ρ change is in agreement with the variable-range hopping conductivity mechanism. At high magnetic fields, the positive and almost linear transverse and longitudinal magnetoresistances were observed at low temperatures. Both variable-range hopping conductivity and positive linear magnetoresistance are characteristics of disordered and inhomogeneous semiconductors.     

胶体半导体纳米晶的能带宽调控新方法

由于量子限域效应,半导体纳米晶的能带宽随粒子大小而改变。单纯依靠改变纳米晶大小来调控能带宽将引起许多技术和应用上的不便。本文对胶体半导体纳米晶的能带宽调控新概念和新的合成途径,包括近年来发展起来的通过采用合金纳米晶、反转Type－I及Type－II核/壳结构等进行了综述,并对各种途径的优缺点进行了描述。     

Density Functional Investigations of Electronic Structure and Dehydrogenation Reactions of Al‐ and Si‐Substituted Magnesium Hydride

The effect on the hydrogen storage attributes of magnesium hydride (MgH₂) of the substitution of Mg by varying fractions of Al and Si is investigated by an ab initio plane‐wave pseuodopotential method based on density functional theory. Three supercells, namely, 2×2×2, 3×1×1 and 5×1×1 are used for generating configurations with varying amounts (fractions x=0.0625, 0.1, and 0.167) of impurities. The analyses of band structure and density of states (DOS) show that, when a Mg atom is replaced by Al, the band gap vanishes as the extra electron occupies the conduction band minimum. In the case of Si‐substitution, additional states are generated within the band gap of pure MgH₂—significantly reducing the gap in the process. The reduced band gaps cause the Mg? H bond to become more susceptible to dissociation. For all the fractions, the calculated reaction energies for the stepwise removal of H₂ molecules from Al‐ and Si‐substituted MgH₂ are much lower than for H₂ removal from pure MgH₂. The reduced stability is also reflected in the comparatively smaller heats of formation (ΔH_f) of the substituted MgH₂ systems. Si causes greater destabilization of MgH₂ than Al for each x. For fractions x=0.167 of Al, x=0.1, 0.167 of Si (FCC) and x=0.0625, 0.1 of Si (diamond), ΔH_f is much less than that of MgH₂ substituted by a fraction x=0.2 of Ti (Y. Song, Z. X. Guo, R. Yang, Mat. Sc. & Eng. A 2004 , 365, 73). Hence, we suggest the use of Al or Si instead of Ti as an agent for decreasing the dehydrogenation reaction and energy, consequently, the dehydrogenation temperature of MgH₂, thereby improving its potential as a hydrogen storage material.     

Absorption and emission spectral studies of Eu3+-doped PbO-PbF2 glass system

Judd-Ofelt parameters obtained from the absorption spectra of Eu³⁺ ions doped in PbO-PbF₂ glasses are intermediate between the values for fluoride and phosphate glass matrices. Eu³⁺ ions are coordinated to both oxide and fluoride ions. The calculated transition probabilities (As^-1) for the laser transition⁵D_o→⁷F₂ are 171 and 170 for 30PbO-70PbF₂ and 70PbO-30PbF₂ glasses respectively and are significantly lower compared to phosphate glasses. The calculated (β_R cal) and experimental (β_Rexpt) branching ratios for this transition show good agreement. The emission spectra display high energy transitions in the 440–570 nm region, a characteristic of parent matrices with low energy phonons such as the tellurite, germanate and fluoride glasses. The electron-phonon coupling strengths deduced from the excitation spectra of Eu³⁺ are 10.2 x 10⁻³ and 9.5 x l0⁻³ for 30PbO-70PbF₂ and 70PbO-30PbF₂ glasses respectively. The relative emission intensities of the low energy transitions to high energy transitions and the ratios of the most intense transitions⁵D₀→⁷F₂/⁵D₀→⁷F₇ significantly vary for the two glasses providing evidence for clustering of Eu³⁺ ions with increase in its concentration and increasing PbO content.     

Microstructure,dielectric properties and optical band gap control on the photoluminescence behavior of Ba[Zr<Subscript>0.25</Subscript>Ti<Subscript>0.75</Subscript>]O<Subscript>3</Subscript> thin films

Ba[Zr_0.25Ti_0.75]O₃ (BZT) thin films were synthesized by the complex polymerization method and heat treated at 400 °C for different times and at 700 °C for 2 h. These thin films were analyzed by X-ray diffraction (XRD), Fourier-transform infrared (FT-IR) spectroscopy, field emission gun-scanning electron microscopy (FEG-SEM) and atomic force microscopy (AFM), Ultraviolet–visible (UV–vis) absorption spectroscopy, electrical and photoluminescence (PL) measurements. FEG-SEM and AFM micrographs showed that the microstructure and thickness of BZT thin films can be influenced by the processing times. Dielectric constant and dielectric loss of BZT thin films heat treated at 700 °C were approximately 148 and 0.08 at 1 MHz, respectively. UV–vis absorption spectra suggested the presence of intermediary energy levels (shallow and deep holes) within the band gap of BZT thin films. PL behavior was explained through the optical band gap values associated to the visible light emission components.     

Electronic band structure of Cu3Au: An angle-resolved photoemission study along the [111]-direction

High-resolution normal photoemission (ARPE) spectra have been recorded for Cu₃Au(111) with the use of polarized synchrotron and rare-gas resonance radiation in the photon energy range from 9 to 27 eV. It is for the first time that dispersions of the gold-like bands have been found experimentally. Using a fully relativistic layer-KKR photoemission formalism, occupied and unoccupied bands as well as one-step-model photoemission spectra have been calculated. The comparison of calculated spectra with experimental ones and the observation of direct-transition resonances upon photon energy near the Brillouin zone-center reveal a shift of the unoccupied ground-state bands by about +2.5 eV (self-energy shift). The direct-transition structures in the experimental spectra have been exploited to determine the dispersions of the occupied bands along the [111] direction (A line in k space). In order to determine the wave vector of the experimental direct transitions we used as final state that calculated unoccupied band along [111], which also exists in pure copper and gold up to about 20 eV above the Fermi energy (“unfolded” band structure), shifted by + 2.5 eV. The experimental occupied bands with Cu character are in very good agreement with theory after shifting the latter by about 0.3 eV to lower energy, whereas somewhat bigger discrepancies exist for the gold-like bands.     

Compton profile of molybdenum

In this paper we report the experimental Compton profile of polycrystalline molybdenum. The measurements have been made by scattering 59.54 keVγ-rays and are compared with the recent band structure calculation of Janiet al. [4]. These results have also been compared with our calculation based on the renormalized-free-atom model for different 4d-5s configurations. It is found that the present experimental data are relatively in good agreement with the band structure calculation.