O2分子激发态a1Δg和b1Σ+g态的分析势能函数

以aug-cc-pVQZ,cc-pV5Z,6-311++g（d,p）和6-311++g（3df,3pd）等为基函数,采用多组态相互作用（MRCI）方法对O₂分子最低的两个激发态¹Δ_g和¹Σ⁺_g的平衡结构、谐振频率和势能曲线进行了计算.并选用Murrell-Sorbie势能函数对曲线进行拟合,利用拟合的参数值计算出了力常数和光谱数据.结果表明计算值与实验值符合较好. 关键词： MRCI 势能函数 力常数 光谱数据     

Structural and physical properties of ZnO:Al films grown on glass by direct current magnetron sputtering with the oblique target

ZnO:Al films were deposited on glass substrates at 300 K and 673 K by direct current magnetron sputtering with the oblique target. The Ar pressure was adjusted to 0.4 Pa and 1.2 Pa, respectively. All the films have a wurtzite structure and grow with a c-axis orientation in the film growth direction. The films grow mainly with columnar grains perpendicular to the substrate and some granular grains also exist in the films. The film deposited at 673 K and 0.4 Pa has the largest grains whereas that prepared at 300 K and 0.4 Pa consists of the smallest grains and is porous. The films exhibit an n-type semiconducting behavior at room temperature. The ZnO:Al film deposited at 673 K and 0.4 Pa has the lowest resistivity (3.40 × 10⁻³ Ω cm), the highest free electron concentration (4.63 × 10²⁰ cm⁻³) and a moderate Hall mobility (4.0 cm² V⁻¹ s⁻¹). The film deposited at 300 K and 0.4 Pa has the highest resistivity and the lowest free electron concentration and Hall mobility. A temperature dependence of the resistivity reveals that the carrier transport mechanism is Mott’s variable range hopping in the temperature region below 100 K and thermally activated band conduction above 215 K. The activation energy for the film deposited at 300 K and 0.4 Pa is 41 meV and that for the other films is about 35 meV. All the films have an average optical transmittance of over 85% in the visible wavelength range. The absorption edge of the film deposited at 300 K and 0.4 Pa shifts to the longer wavelength (redshift) relative to the films prepared under the other conditions.     

Spectrally selective splitters with metal-dielectric-metal surface plasmon waveguides

Spectrally selective splitters with metal-dielectric-metal (MDM) subwavelength waveguides are proposed in this paper. The method is based on the Bragg grating structure with periodically modulated MDM waveguide width, which delivers a stop band effect for the surface plasmon propagating in the waveguide. By adding appropriate Bragg grating structure in one or more arms of the waveguide splitters, light in a certain frequency range can be readily guided into the desired directions, as demonstrated numerically by the finite-difference time-domain method. Dependence and optimization of the geometrical parameters are also considered in this paper.     

Alq3和CdSeS量子点掺杂体系的载流子输运性质的研究

利用飞行时间法(time-of-flight)测定了有机小分子发光材料8-羟基喹啉铝(Alq3)与CdseS量子点掺杂体系的载流子迁移率.研究了Alq3和CdSeS混合薄膜的载流子迁移率与外加电场强度和量子点浓度的变化关系.研究结果表明,CdSeS量子点的掺杂浓度的增加会引起薄膜样品位置无序的增加.除此之外,Alq3和CdSeS量子点界面之间的电荷转移作用,以及在量子点之间进行跳跃传输的电子数量都会改变样品的载流子迁移率.     

正立像显微镜的设计

光学显微镜是一种光学放大仪器,被广泛地用来观测微小物体．但是,目前使用的显微镜成的是倒立的像,从而给使用者带来了很多不必要的麻烦．为了解决这一问题,文中提出了成正立像的显微镜的设计方案,同时计算了这种显微镜的放大率,并且对相关问题进行了讨论．     

New type of Y-branch power splitter and beam expander based on eliminating anomalous reflection effect

We propose a new type of Y-branch power splitter and beam expander with scales of microns in two- dimensional （2D） photonic crystals （PCs） by drilling air holes in a silicon slice. Its functionality and performance are numerically investigated and simulated by finite-difference time-domain （FDTD） method. Simulation results show that the splitter can split a TE polarized light beam into two parallel sub-beams and the distance between them is tunable by changing the parameters of the splitter, while the expander can expand a narrow beam into a wider one, which is realized in an integrated optical circuit. The proposed device is based on the avoiding of anomalous reflection effect and the coupling transmission of defect modes of the interfaces.     

Electroless nickel plating on optical fiber probe

As a component of near-field scanning optical microscope （NSOM）, optical fiber probe is an important factor influncing the equipment resolution. Electroless nickel plating is introduced to metallize the optical fiber probe. The optical fibers are etched by 40% HF with Turner etching method. Through pretreatment, the optical fiber probe is coated with Ni-P film by electroless plating in a constant temperature water tank. Atomic absorption spectrometry （AAS）, scanning electron microscopy （SEM）, and energy dispersive X-ray spectrometry （EDXS） are carried out to characterize the deposition on fiber probe. We have reproducibly fabricated two kinds of fiber probes with a Ni-P film： aperture probe and apertureless probe. In addition, reductive particle transportation on the surface of fiber probe is proposed to explain the cause of these probes.     

基于物理光学法的建筑物内高功率微波耦合场分布计算

利用物理光学法计算了高功率微波在建筑物内的耦合场分布。根据建筑物墙壁和窗户的透射率可以得到墙壁内侧的透射场,将它代入到矢量衍射公式中直接计算出在整个建筑物内的透射场;根据建筑物地面的反射率得到地板表面的反射场,将它代入到矢量衍射公式中可计算出整个建筑物内的反射场;对透射场与反射场进行矢量相加,得到叠加场。将本文方法得到的场分布情况和时域有限差分法得到的场分布进行比较,二者结果一致。物理光学法的优点在于其物理图像清晰,计算量小,计算速度快,适合应用在大型建筑物内部耦合场分布计算上。     

Temperature-electric field hysteresis loop of multicaloric effects in PbZr0.8Ti0.2O3 thin films

The Multicaloric effect in the PbZr_0.8Ti_0.2O₃ thin films is investigated with the application of sine wave electric field, dc electric field and stress using a phase field method combined with the thermodynamic analysis. The simulation results show that the adiabatic temperature change-electric field curve presents a shape of butterfly in the presence of the sine wave electric field. In order to detect the effect of the sine wave electric field, the multicaloric effect and the domain structures under the direct electric field and the sine wave electric field are compared. It is found that the domain switching behaviors are quite different under the different applied electric fields. And the negative multicaloric effect in the PbZr_0.8Ti_0.2O₃ thin film is attribute to the domain switching under the external field.     

Security of continuous-variable measurement-device-independent quantum key distribution with imperfect state preparation

The state preparation operation of continuous-variable measurement-device-independent quantum key distribution (CV-MDI-QKD) protocol may become imperfect in practical applications. We address the security of the CV-MDI-QKD protocol based on imperfect preparation of the coherent state under realistic conditions of lossy and noisy quantum channel. Specifically, we assume that the imperfection of Alice's and Bob's practical state preparations equal to the amplification of ideal modulators and lasers at both Alice's and Bob's sides by untrusted third-parties Fred and Gray employing phase-insensitive amplifiers (PIAs), respectively. The equivalent excess noise introduced by the imperfect state preparation is comprehensively and quantitatively calculated by adopting the gains of PIAs. Security analysis shows that CV-MDI-QKD is quite sensitive to the imperfection of practical state preparation, which inevitably deteriorates the performance and security of CV-MDI-QKD system. Moreover, a lower bound of the secret key rate is derived under arbitrary collective attacks, and the upper threshold of this imperfection tolerated by the system is obtained in the form of the specific gains of PIAs. In addition, the methods presented will improve and perfect the practical security of CV-MDI-QKD protocol.