立方相KNbO3晶体本征空位点缺陷的电子结构研究

利用第一性原理从头计算方法对立方相KNbO3晶体的肖特基缺陷的稳定性、能带结构、电子态密度和磁性性质进行了研究.发现含本征点缺陷的KNbO3体系结构稳定;K,Nb空位诱导KNbO3缺陷晶体产生铁磁性;O空位则无此性质.K空位诱导KNbO3缺陷晶体磁性源于O原子2p轨道退简并;Nb空位诱导KNbO3缺陷晶体磁性源于O-2p电子极化.     

Light source system for high-precision flat-field correction and the calibration of an array detector

Signal distortion due to the non-uniform response of the detector degrades the measurement accuracy of most metrology instruments. In this Letter, we report a newly developed calibration source system for reference-based non-uniformity correction using a laser source, a fiber, and a diffusive module. By applying the Monte Carlo simulation, we show that the transmittance of the system highly depends on the cavity reflection of the diffusive module. We also demonstrate the use of this system to achieve a flat field at a very low non-uniformity(less than 0.2%) with proper illumination intensity, which most costly commercial integrating sphere systems traditionally cannot provide.     

基于LED的多色温多星等单星模拟器

针对星模拟器与星敏感器观星的色温不匹配对星敏感器光信号定标精度产生的影响,设计了一种基于LED的多色温多星等单星模拟器,采用该系统模拟特定色温的星光用于星敏感器光信号定标,大幅降低了色温非匹配带来的定标误差。从理论上分析了色温非匹配影响星敏感器光信号的定标精度的机理;根据设计指标确定了星模拟器的设计方案,主要解决了光源的选型、多色温多星等单星模拟器驱动和控制系统、色温星等匹配算法、多色温多星等单星模拟器软件设计四项关键技术问题;对多色温多星等单星模拟器进行了标定和性能测试:0等星4000K和3等星7000 K星光的光谱匹配误差分别为4.87%和7.83%,星等等级分别为0.03和2.93;光源稳定后,多色温多星等单星模拟器的平行光管出口Φ100 mm口径内的照度非均匀度为6.5%,均满足设计指标。     

Effects of structure and electronic properties of D-π-A organic dyes on photovoltaic performance of dye-sensitized solar cells

Herein,we examine the performance of dye-sensitized solar cells containing five D-π-A organic dyes designed by systematic modification of π-bridge size and geometric structure.Each dye has a simple push-pull structure with a triarylamino group as an electron donor,bithiophene-4,4-dimethyl-4 H-cyclopenta 1,2-b:5,4-b’]dithiophene(M11),4,4-dimethyl-4 H-cyclopenta[1,2-b:5,4-b’]dithiophenethiophene(M12),thiophene-4,4-dimethyl-4 H-cyclopenta[1,2-b:5,4-b’]dithiophene(M13),4,4-dimethyl-4 H-cyclopenta[1,2-b:5,4-b’]dithiophene-benzene(M14),and 4,4-dimethyl-4 H-cyclopenta[1,2-b:5,4-b’]dithiophene(M15)units asπ-bridges,and cyanoacrylic acid as an electron acceptor/anchor.The extension of theπ-bridge linkage favors wide-range absorption but,because of the concomitant molecular volume increase,hinders the efficient adsorption of dyes on the TiO₂ film surface.Hence,higher loadings are achieved for smaller dye molecules,resulting in(i)a shift of the TiO₂ conduction band edge to more negative values,(ii)a greater photocurrent,and(iii)suppressed charge recombination between the photoanode and the redox couple in the electrolyte.Consequently,under one-sun equivalent illumination(AM 1.5 G,100 mW/cm²),the highest photovoltage,photocurrent,and conversion efficiency(η=7.19%)are observed for M15,which has the smallest molecular volume among M series dyes.     

Photons can hide where they have been

Recently,the nested Mach–Zehnder interferometer[Phys.Rev.Lett.111,240402(2013)]was modified by adding Dove prisms in a paper[Quantum Stud.:Math.Found.2,255(2015)],and an interesting result is that,after the Dove prisms were inserted,a signal at the first mirror of the nested interferometer was obtained.But,according to the former original paper,the photons have never been present near that mirror.In this work,we interpret this result naturally by resorting to the three-path interference method.Moreover,we find that even though the photons have been somewhere,they can hide the trace of being there.     

Spatially modulated polarimetry based on a vortex retarder and Fourier analysis

We report a spatially modulated polarimetry scheme by using a zero-order vortex half-wave retarder(ZVHR)and a spatial Fourier analysis method.A ZVHR is employed to analyze the input polarized light and convert it into a vectorial optical field,and an analyzer is set after the ZVHR to form an hourglass intensity pattern due to the spatial polarization modulation.Then,the input light’s Stokes parameters can be calculated by spatial Fourier analysis of the hourglass pattern with a single shot.The working principle of the polarimeter has been analyzed by the Stokes-Mueller formalism,and some quantitative measuring experiments of different polarization states have been demonstrated.The experimental results indicate that the proposed polarimeter is accurate,robust,and simple to use.     

Highly transparent ceramics for the spectral range from 1.0 to 60.0μm based on solid solutions of the system AgBr-AgI-TlI-TlBr

The article is devoted to the technology for obtaining optical ceramics of Ag Br-Tl I and Ag Br-Tl Br_0.46I_0.54 systems and manufacturing samples with different compositions.The new heterophase crystal ceramics are transparent without absorption windows in the spectral range from 1.0 to 60.0μm.In the ceramics’transparency spectra based on the Ag Br-Tl I and Ag Br-Tl Br_0.46I_0.54 systems fusibility diagrams,with an increase in the thallium halides mass fraction,as well as the replacement of the bromine ion with iodine,the maximum transparency shifts to a long infrared region.     

NO分子宏观气体热力学性质的理论研究

采用量子统计系综理论,研究了基态NO分子宏观气体摩尔熵、摩尔内能、摩尔热容等热力学性质.首先应用课题组前期建立的变分代数法(variational algebraic method, VAM)计算获得了基态NO分子的完全振动能级,得到的VAM振动能级作为振动部分,结合欧拉-麦克劳林渐进展开公式的转动贡献,应用于经典的热力学与统计物理公式中,从而计算得到了1000-5000 K温度范围内NO宏观气体的摩尔内能、摩尔熵和摩尔热容.将不同方法计算得到的摩尔热容结果分别与实验值进行比较,结果表明基于VAM完全振动能级获得的结果优于其他方法获得的理论结果.振动部分采用谐振子模型对无限能级求和计算热力学性质的方法有一定的局限性,应当使用有限的完全振动能级进行统计求和.     

三维位势问题的梯度边界积分方程的新解法

三维位势问题的边界元分析中,关于坐标变量的边界位势梯度的计算是一个困难的问题. 已有一些方法着手解决这个问题,然而,这些方法需要复杂的理论推导和大量的数值计算. 本文提出求解一般边界位势梯度边界积分方程的辅助边值问题法. 该方法构造了与原边界值问题具有相同解域的辅助边值问题,该辅助边值问题具有已知解,因此通过求解此辅助边值问题,可获得梯度边界积分方程对应的系统矩阵,然后将此系统矩阵应用于求解原边值问题,求解过程非常简单,只需求解一个线性系统即可获得原边值问题的解. 值得注意的是,在求解原边值问题时,不再需要重新计算系统矩阵,因此辅助边值问题法的效率并不很差. 辅助边值问题法避免了强奇异积分的计算,具有数学理论简单、程序设计容易、计算精度高等优点,为坐标变量梯度边界积分方程的求解提供了一个新的途径. 3个标准的数值算例验证了方法的有效性.