高损伤阈值矩形石英闪耀光栅的设计分析

 采用模态法分析了矩形亚波长石英闪耀光栅的设计原理,给出了1.06 μm工作波长的矩形亚波长石英闪耀光栅的设计示例。研究表明,要设计性能优良的-1级透射闪耀光栅,应使0/1阶传输模的累积相位差为π的奇数倍。设计的透射闪耀光栅能够使TM偏振光和TE偏振光获得近100%的-1级衍射效率,且具有较大的加工容差,较宽的入射波长和入射角变化适应范围。     

共振域矩形介质光栅的逆向设计

采用模态法研究了共振域光栅分束器及闪耀光栅等光学器件的设计原理及逆向设计方法,给出了-1级非偏振闪耀光栅的典型设计示例。研究表明,自准直角入射时,光束在光栅内传输将激发产生离散模,通过调节离散模透过光栅传输时的累积相位差,可对衍射光进行调控,实现偏振(非偏振)分束、偏振(非偏振)闪耀等功能。采用严格耦合波法对基于模态法逆向设计的-1级非偏振石英闪耀光栅的几何参数进行验证,计算结果显示两者非常吻合,证明了该方法的正确性。     

高密度相位光栅的偏振选择性

高密度光栅具有与传统光栅不同的性质,其衍射特性往往是偏振相关的。本文针对1550nm波长TE/TM偏振入射光和0.5的光栅占空比,利用严格耦合波分析数值计算了不同光栅周期下0级及-1级的衍射效率。研究表明,相比周期为1550nm的光栅,当周期为1200nm时,偏振相关衍射效应明显增强,当光栅周期为890nm时,TE偏振光的衍射效率随着光栅深度呈正余弦变化,而TM偏振光的衍射效率始终集中在0级,具有偏振选择性。通过模式方法,利用模式中的有效折射率概念,研究了不同周期下被入射光所激发的两种光波模式通过光栅区域传播所累积的相位差;基于双光束干涉,模拟了0级和-1级的衍射效率。结果表明,利用严格耦合波分析的数值计算结果符合模式方法的理论预期,对于高密度相位光栅的偏振选择性给予了合理的物理机制解释。     

亚波长介质光栅的闪耀特性分析

采用严格耦合波理论与矩阵LU分解法,求解了亚波长矩形介质光栅的衍射场,给出了TE和TM偏振波的耦合波方程组及其矩阵形式.通过数值计算分析了TE和TM偏振波的入射角、刻槽深度、入射波长等参量对＋1级衍射波衍射效率的影响.结果表明,当Λ=0.5λ0,θ=55°,d=0.38λ0,λ=10.6 μm时可以实现对TE偏振波＋1级的闪耀,衍射效率达到近90%,同时具有较宽广的角度适应范围.     

亚波长光栅的偏振闪耀特性

 使用琼斯矩阵的方法推导了连续结构亚波长光栅的衍射方程,给出了光栅衍射效率表达式,对偏振特性与衍射特性进行了研究。发现连续结构亚波长光栅仅存在３个衍射级,总衍射效率为100%,且衍射效率可在衍射级间任意分配,0级的偏振态与入射光的偏振态相同,±1级衍射光偏振态与入射光无关,－1级为左旋圆偏振光,＋1级为右旋圆偏振光。通过设置入射光偏振态与光栅相位延迟等参数,可使光栅具有闪耀特性,据此可用于设计高效偏振光分束器和偏振光开关。     

一维TiO2亚波长光栅的衍射异常现象及其结构设计

研究了一维TiO₂亚波长光栅（SWG）的衍射异常现象,具体表现为泄漏模共振效应和瑞利异常。研究表明,一定参数条件下的横磁波（TM偏振）和横电波（TE偏振）入射均会出现瑞利异常和泄漏模共振效应。在TM偏振光情况下,会出现传统的窄带、高衍射效率泄漏模共振效应,而在TE偏振光情况下,由于多个接近的泄漏模共振峰相互叠加,故会形成宽带、高衍射效率的反射谱。采用严格耦合波理论计算了一维TiO₂ SWG的衍射效率,研究了光栅周期、高度和占空比对光栅反射率的影响。当光栅周期为0.49μm,高度为0.25μm,占空比为0.34时,SWG具有TE偏振选择性,在0.52μm波段处的反射率接近1,且高反带（反射率达到99.9%以上）宽度为26 nm。优化各结构参数,得到光栅周期、占空比、高度的制作容差分别为1.6%、8.3%、2.0%,故SWG理论上可以作为垂直腔面发射激光器的反射镜。     

亚波长介质偏振分束光栅的衍射特性

 采用严格耦合波理论并结合矩阵LU分解法,分析了亚波长介质光栅的刻槽深度、占空比、入射角、入射波长等参数对TE偏振和TM偏振0级衍射效率的影响。结果表明:在1 550 nm波长处,出现瑞利反常现象。由此提出利用瑞利反常现象设计工作波长为1 550 nm的偏振分束光栅,通过优化设计确定了最佳设计参数,即光栅周期为l0/2,瑞利入射角为30°,刻槽深为0.9l0,占空比为0.5。结果表明,参数优化后的偏振分束光栅可以使TE偏振0级反射波和TM偏振0级透射波同时达到近100%的衍射效率。     

埋入式光栅双通道特性及其应用研究

利用严格耦合波理论分析了埋入式光栅在45°入射时,垂直和平行于光栅栅线的两个不同观察平面的零级共振反射衍射特性.在垂直于光栅栅线的平面内,TE、TM偏振下零级反射共振波长分别为432 am和420 am,在平行于光栅栅线的平面内,TE、TM偏振下零级反射共振主峰波长分别为623 nm和620 nm,在两个平面内,零级共振衍射光的共振波长差别较大,观察到的衍射光颜色差别明显,定义为双通道特性并用实验进行证明,制作了相应的光变色器件.     

非对称偏振分束光栅的矢量衍射优化设计

基于严格耦合波理论分析了一种非对称偏振分束光栅的设计。这种偏振分束光栅分别在1级和0级衍射级次上衍射TE和TM偏振波。介绍了利用遗传算法设计偏振分束光栅的方法,并给出了优化实例。仿真结果表明:在设计波长为1.55时,TE偏振波在1级的衍射效率大于93%,TM偏振波在0级的衍射效率大于99%,此时1级和0级的透射消光比分别达到了9914.1和46841.5。通过对设计结果的分析发现,该偏振分束光栅在设计波长附近100nm的波长范围内都具有较高的消光比(大于100),达到了较好的偏振分束效果。     

多层介质膜偏振无关光栅的研制

介绍了一种应用于光纤激光光谱合束的高衍射效率多层介质膜偏振无关光栅的设计及制作,给出了设计参数、制作流程和最终制作的偏振无关光栅的测量结果,在1.044~1.084μm波长范围内,实验测得的TE偏振光、TM偏振光的平均衍射效率分别为89.7%,93.8%。     

The B 2Σ+–X 2Σ+ Transition of 12C17O+: The 2‐υ″ Progression

Abstract

Three new bands of the B ²Σ⁺–X ²Σ⁺ system of ¹²C¹⁷O⁺ have been investigated using conventional spectroscopic techniques. The spectra were observed in a graphite hollow‐cathode lamp by discharging molecular oxygen (enriched in about 45% of the ¹⁷O₂ isotope) under 1.0 Torr pressure. The rotational analysis of the 2–4, 2–5, and 2–6 bands was performed with the effective Hamiltonian of Brown (Brown et al., J. Mol. Spectrosc. 1979; 74: 294–318). Molecular constants were derived from a merge calculation, including both the current wavenumbers and the spectroscopic data published by the authors previously. The principal equilibrium constants for the ground state of ¹²C¹⁷O⁺ are ω_e=2185.9658(84), ω_e x _e = 14.7674(11), B _e=1.927001(38), α_e=1.8236(22)×10^?2, γ_e=?0.331(28)×10^?4, D _e=6.041(12)×10^?6, β_e=0.100(31)×10^?7 cm^?1, and the equilibrium constants for the excited state are σ_e=45876.499(15), ω_e=1712.201(12), ω_e x _e=27.3528(39), B _e=1.754109(35), α_e=2.8706(57)×10^?2, γ_e = ?1.15(19)×10^?4, D _e=7.491(20)×10^?6, β_e=2.13(12)×10^?7, γ_e = 2.0953(97)×10^?2, and α_γe=?9.46(59)×10^?4 cm^?1, respectively. Rydberg–Klein–Rees potential energy curves were constructed for the B ²Σ⁺ and X ²Σ⁺ states of this molecule, and Franck–Condon factors were calculated for the vibrational bands of the B–X system.     

Rotational Analysis of the 1–4 Band of the B 2Σ+–X 2Σ+ System of 14C16O+

ABSTRACT

High-resolution emission spectrum of the 1–4 band of the B ²Σ⁺–X ²Σ⁺ transition of ¹⁴C¹⁶O⁺ was observed for the first time by conventional emission spectroscopy. The band spectrum was excited in a water-cooled Geissler lamp filled with commercial gaseous carbon monoxide enriched in about 80% of the radiocarbon ¹⁴C. A rotational analysis has been carried out and obtained molecular constants have been merged with previously published data for the B ²Σ⁺–A ²Π_i and A ²Π_i–X ²Σ⁺ transitions. The principal equilibrium constants for the ground X ²Σ⁺ state obtained from this work are ω_e = 2121.7726(98), ω_e x _e = 13.9055(27), B _e = 1.815290(30), α_e = 1.6594(33) × 10^?2, and γ_e = ? 0.377(73) × 10^?4 cm^?1. Also, presently known experimental equilibrium molecular constants of the X ²Σ⁺ states of the CO⁺ isotopic molecules are summarized and isotopic dependence of the B _e and ω _e constants is discussed.     

The X2Π and A2Σ+ states of FH+, ClH+ and BrH+: theoretical study of their g -factors and fine/hyperfine structures

Theoretical calculations on the fine, hyperfine and Zeeman (g-factor) parameters are reported for the X²Π and A²Σ⁺ states of FH⁺, ClH⁺ and BrH⁺. The fine-structure constants [spin–orbit (A), Λ-doubling (p, q) and spin–rotation constants (γ _Π, γ _Σ)] are evaluated up to second order (via SO/L couplings with several excited states) using a multireference configuration interaction (MRCI) method, a Breit–Pauli Hamiltonian and 6-311++(2d,2pd) basis sets. Hyperfine constants of magnetic and electric type [Frosch–Foley (a, b, c, d) and nuclear quadrupole (eQq ₀, eQq ₂)] are studied with density functional methods and various basis sets. Magnetic dipole moments (parameterized via g-factors) are calculated in second order like the fine structure constants. The situation is somewhat complex for X²Π since no less than five different g’s have to be evaluated in second order. In general, our results are in good agreement with those reported in the literature, mostly limited to the ground state. Our calculations confirm that, at equilibrium, all second-order properties are dominated by the couplings between the electronic states X and A.     

Average (Recommended) Half-Life Values for Two-Neutrino Double-Beta Decay

All existing "positive" results on two-neutrino double-beta decay in different nuclei were analyzed. Using procedure recommended by Particle Data Group weighted average values for half-lives of ⁴⁸Ca, ⁷⁶Ge, ⁸²Se, ⁹⁶Zr, ¹⁰⁰Mo, ¹⁰⁰Mo-¹⁰⁰Ru (0⁺ ₁), ¹¹⁶Cd, ¹⁵⁰Nd and ²³⁸U were obtained. Existing geochemical data were analyzed and recommended values for half-lives of ¹²⁸Te and ¹³⁰Te are proposed. We recommend to use these results as the most precise and reliable values for half-lives at this moment.     

Global fittings of NNO and NNO vibrational-rotational line positions using the effective Hamiltonian approach

An effective Hamiltonian built up to sixth order in the Amat-Nielsen ordering scheme describing all rovibrational energy levels in the ground electronic state and containing in explicit form all resonance interaction terms due to the approximate relations between harmonic frequencies ω₁≈2ω₂ and ω₃≈4ω₂ was applied to model the observed rovibrational line positions (collected from the literature) of ¹⁴N¹⁵N¹⁶O and ¹⁵N¹⁴N¹⁶O isotopologues of nitrous oxide. For ¹⁴N¹⁵N¹⁶O, 124 effective Hamiltonian parameters were fitted to near 28 000 observed line positions covering the 0.8-8860 cm⁻¹ spectral range. The RMS of the weighted fit is 0.00126 cm⁻¹ and dimensionless standard deviation is 1.48. For ¹⁵N¹⁴N¹⁶O, 121 effective Hamiltonian parameters were fitted to more than 31 000 observed line positions covering the same spectral interval. The RMS of the weighted fit is 0.00185 cm⁻¹ and dimensionless standard deviation is 1.85. In both cases the models describe all available line positions with precision compatible to the measurement uncertainties. A number of local resonance perturbations was found and discussed. Among these perturbations there are interpolyad resonance Coriolis interactions. A comparison of HITRAN-2008 data with the calculations based on the fitted models is presented.     

Studies on some mixed pyrido-phenol donor ligands as sensitisers for terbium (III)

Incorporation of the 2-(2-hydroxyphenyl)-pyridine system into aza-crown systems produces novel ligands for lanthanide ions and can act as sensitising antennae for terbium (III) ions.     

Upconverted VUV luminescence of Nd and Er doped into LiYF4 crystals under XeF-laser excitation

The upconverted VUV (185 nm) and UV (230 and 260 nm) luminescence due to 5d-4f radiative transitions in Nd³⁺ ions doped into a LiYF₄ crystal has been obtained under excitation by 351/353 nm radiation from a XeF excimer laser. The maximum upconversion efficiency, defined as the ratio of intensity for 5d-4f luminescence to overall intensity for 5d-4f and 4f-4f luminescence from the ⁴D_3/2 Nd³⁺ level, has been estimated to be about 70% under optimal focusing conditions for XeF laser radiation. A redistribution of intensity between three main components of 5d-4f Nd³⁺ luminescence is observed under changing the excitation power density, which favors the most long-wavelength band (260 nm) at higher excitation density level. The effect is interpreted as being due to excited state absorption of radiation emitted. The upconverted VUV and UV luminescence from the high-lying ²F(2)_7/2 4f level of Er³⁺ doped into a LiYF₄ crystal has also been obtained under XeF-laser excitation the most intense line being at 280 nm from the spin-allowed transition to the ²H(2)_11/2 4f level of Er³⁺, but the efficiency of upconversion for Er³⁺ emission is low, less than 5%.     

CASPT2 study on low-lying states of HBS+ and HSB+ cations

Some low-lying states of the nine-valence-electron systems HBS⁺ and HSB⁺ cations have been studied by large-scale theoretical calculations using three methods CASSCF, CASPT2, and DFT B3LYP with the contracted atomic natural orbital and cc-pVTZ basis sets. The geometries of all stationary points along the potential energy surfaces were optimized and the energies were calculated. The potential energy curves of isomerization reactions between HBS⁺ and HSB⁺ were calculated as a function of HBS bond angle. The calculated results indicated that the ground-state HBS⁺ is linear, while the ground-state HSB⁺ is bent, which is in contradiction to Walsh's rules predicting linear structures for the HXY systems containing 10 or less valency electrons.     

Verteilungskoeffizienten von Ag,In, Re,Au, Hg,Tl, Pb und Bi in Salpetersäure-Methanol-Gemischen

Der Anionenaustausch unter Verwendung von Salpetersäure-Methanol-Gemischen ist in den letzten Jahren von einer Anzahl von Autoren untersucht worden [1, 2, 3, 4]. In einer früheren Arbeit hatten wir bereits auf seine praktisehc Anwendbarkeit für die Trennung der SK hingewiescn [5]. In der vorliegenden Arbeit werden von uns die Verteilungs-koeffizienten von Ag, In, Re, Au, Hg, Tl, Pb und Bi angegeben und Beispiele für mögliche Trennungen angeführt.     

New analysis of the Comet-Tail (AΠi − XΣ) system in the CO isotopic molecule

The emission spectra of the 0-2, 4-2, and 6-1 bands of the Comet-Tail (A²Π_i − X²Σ⁺) system in the ¹⁴C¹⁶O⁺ isotopic molecule, comprising nearly 600 lines, have been recorded and analyzed for the first time. The spectra have been photographed under high resolution by using conventional spectroscopy, and it was possible to separate and observe most of the lines of all the 12 branches of this transition. The reduction of the individual bands’ spectra has been performed by nonlinear least-squares procedure and by means of effective Hamiltonians of Brown et al. the rovibronic structure parameters have been obtained. The currently investigated bands of the Comet-Tail system and the earlier analyzed bands of the A − X and B − A systems in the ¹⁴C¹⁶O⁺ molecule have been merged together. The results of this global fit made it possible to derive a new set of the equilibrium molecular constants for the A and X states. Then the RKR potential curve parameters for both A and X states and Franck-Condon factors as well as r-centroids for the A − X transition have been calculated for the ¹⁴C¹⁶O⁺ molecule.