Fe掺杂ZnSe团簇结构和磁性质

采用密度泛函理论研究了Fe原子单掺杂和双掺杂(ZnSe)12团簇的结构、电子性质和磁性质.我们考虑了三种掺杂方式:替代掺杂,外掺杂和内掺杂.单掺杂时,外掺杂团簇是最稳定结构;而双掺杂时,内掺杂团簇是最稳定结构.团簇磁矩主要来自Fe-3d态的贡献,4s和4p态也贡献了一小部分磁矩.由于轨道杂化,相邻的Zn和Se原子上也产生少量自旋.不同掺杂团簇的总磁矩不同,在可调磁矩的磁性材料领域有潜在应用价值.     

采用衍射掩模产生白光横向平顶光束

白光横向平顶光束在定向背光式自由立体显示器中有重要应用.本文提出一种采用带蝶形小孔阵列的衍射掩模片获得白光横向平顶光束的方法.根据广义惠更斯-菲涅耳衍射积分和多波长叠加原理,推导出光强分布计算式.设计一套实验装置,数值模拟并实验验证出射光束在不同距离的横向光强分布以及小孔蝶形凹度(蝶形中心高度与边长的比值)对横向光强分布的影响.结果表明:当选择小孔蝶形凹度为0.50—0.66时,可以得到平顶因子F 0.89的白光横向平顶光束,横向平顶光束的宽度随着传输距离的增大而增大,而平顶因子基本不变.实验还发现柱面透镜的折射色散和衍射色散可以互相抵消,使白光横向平顶光束基本无色散.     

电控聚合物分散液晶全息透镜及特性研究

报道位相型电控聚合物分散液晶(H-PDLC)全息衍射透镜的研制及特性研究,理论上,根据耦合波理论,研究了不同的相分离程度系数下,理想位相型电控聚合物分散液晶(H-PDLC)全息衍射透镜在可见光波长(400—800nm)的衍射特性.实验研制了衍射效率最高为70%的电控H-PDLC变焦透镜样品,研究表明H-PDLC透镜具有优良的成像特性,和快速响应的电控开关特性,在光学成像系统,光通信系统中具有良好的应用前景.     

Enhanced electrochemical properties and thermal stability of LiNi<Subscript>1/3</Subscript>Co<Subscript>1/3</Subscript>Mn<Subscript>1/3</Subscript>O<Subscript>2</Subscript> by surface modification with Eu<Subscript>2</Subscript>O<Subscript>3</Subscript>

Layered LiNi_1/3Co_1/3Mn_1/3O₂ cathode material is synthesized via a sol-gel method and subsequently surface-modified with Eu₂O₃ layer by a wet chemical process. The effect of Eu₂O₃ coating on the electrochemical performances and thermal stability of LiNi_1/3Co_1/3Mn_1/3O₂@Eu₂O₃ cells is investigated systematically by the charge/discharge testing, cyclic voltammograms, AC impedance spectroscopy, and DSC measurements, respectively. In comparison, the Eu₂O₃-coated sample demonstrates better electrochemical performances and thermal stability than that of the pristine one. After 100 cycles at 1C, the Eu₂O₃-coated LiNi_1/3Co_1/3Mn_1/3O₂ cathode demonstrates stable cyclability with capacity retention of 92.9 %, which is higher than that (75.5 %) of the pristine one in voltage range 3.0–4.6 V. Analysis from the electrochemical measurements reveals that the remarkably improved performances of the surface-modified composites are mainly ascribed to the presence of Eu₂O₃-coating layer, which could efficiently suppress the undesirable side reaction and increasing impedance, and enhance the structural stability of active material.     

重金属小团簇Wn(n=2-7)磁性的第一原理计算

使用自旋极化的密度泛函理论下的第一原理方法,对重金属钨的小团簇Wn（n = 2-7）的结构特性和磁性进行了理论计算。结果表明：团簇的结合能随着团簇中原子数的增加而增大;虽然W的体材料不具有磁性,但是W的一些小团簇可以表现出磁性,如W3、W4和W7,其磁矩均为2μB;通过能级图我们分析了Wn 团簇磁矩的变化情况。此外,还分析了Wn团簇的磁矩,结合能,能量的一阶和二阶差分随原子数n的变化,讨论了最稳定团簇W4的电子结构和电荷密度。     

沉积参数对SiNx薄膜结构及阻透性能的影响

利用直流脉冲磁控溅射法在室温下制备无氢SiNx,薄膜.通过傅里叶变换红外光谱、台阶仪、紫外一可见分光光度计、接触角测量仪、透湿测试仪等表征技术,分析了N2流量、Si靶溅射功率等实验参数对SiNx薄膜成分、结构、及阻透性能、透光性能、接触角等性能的影响.研究结果表明,Si靶溅射功率固定时,在低N2流量条件下,或N2流量固定时,在高Si靶溅射功率条件下,制备的SiN,薄膜中Si-N键含量高,结构致密,薄膜对H2O的阻透性能优良,随着N2流量的增加或者Si靶溅射功率的降低,SiNx,薄膜成分、结构发生变化,红外光谱发生偏移,其对H2O的阻透性能下降.在N2流量为6 sccm,Si靶溅射功率为300 W时制备的SiN,薄膜在可见光波段透过率超过97.5%,对H2O的接触角为30,同时其对H2O的渗透系数最低,为0.764,综合性能满足柔性有机电致发光器件封装用阻透膜的要求,因此SiNx薄膜有望成为新一代柔性有机电致发光器件封装用阻透材料.     

Analysis of planar waveguides with index discontinuity or index slope discontinuity

In this paper, we propose a novel analytic transfer matrix method (ATMM) to the analysis of planar waveguides with index discontinuity or index slope discontinuity, for the cases when the conventional WKB method is no longer valid. We also analyze the physical insight of the approximations in WKB theory, and according to our research, the phase shift at the turning point is not /2, but exactly . Test calculations are done for an index profile with a known solution and the comparison shows that our method gives extremely accurate propagation constant.     

The measurement of 3-D asymmetric temperature field by using real time laser interferometric tomography

A real time nondestructive temperature measurement technique based on laser holographic interference tomography technique is presented. An He–Ne laser is used as light source, and a CCD video camera is used to grab the interferogram. This laser holographic tomography technique is applied to the measurement of the temperature fields generated by two heated rods. Since data error is inevitable in engineering measurement, it is necessary to study the reconstruction techniques for reconstructing the temperature field. Three techniques including convolution back projection (CBP), algebra reconstruction technique (ART) and simultaneous iterative reconstruction technique (SIRT) are studied. Based on the reconstruction techniques and experimental situation, ART is used to reconstruct the asymmetric temperature fields. The thermocouples are used to measure the temperatures of the two heated rods. Comparing the reconstructed result with the measured temperature value, a satisfactory result is obtained.     

Ultranarrow bandwidth Faraday atomic filter approaching natural linewidth based on cold atoms

An ultranarrow bandwidth Faraday atomic filter is realized based on cold ~(87)Rb atoms. The atomic filter operates at 780 nm on the 5~2 S_(1/2), F = 2 to 5~2 P_(3/2), F'= 3 transition with a bandwidth of 7.1(8) MHz, which is approaching the natural linewidth of the transition. The peak transmission achieves 2.6(3)% by the multi-pass probe method. This atomic filter based on cold atoms may find potential applications in self-stabilizing lasers in the future.