Band engineering of honeycomb monolayer CuSe via atomic modification

Two-dimensional monolayer copper selenide(Cu Se) has been epitaxially grown and predicted to host the Dirac nodal line fermion(DNLF). However, the metallic state of monolayer Cu Se inhibits the potential application of nanoelectronic devices in which a band gap is needed to realize on/off properties. Here, we engineer the band structure of monolayer Cu Se which is an analogue of a p-doped system via external atomic modification in an effort to realize the semiconducting state.We find that the H and Li modified monolayer Cu Se shifts the energy band and opens an energy gap around the Fermi level.Interestingly, both the atomic and electronic structures of monolayer Cu HSe and Cu Li Se are very different. The H atoms bind on top of Se atoms of monolayer Cu Se with Se–H polar covalent bonds, annihilating the DNLF band of monolayer Cu Se dominated by Se orbitals. In contrast, Li atoms prefer to adsorb at the hexagonal center of Cu Se, preserving the DNLF band of monolayer Cu Se dominated by Se orbitals, but opening band gaps due to a slight buckling of the Cu Se layer. The realization of metal-to-semiconductor transition from monolayer Cu Se to Cu X Se(X = H, Li) as revealed by first-principles calculations makes it possible to use Cu Se in future electronic devices.     

双奇核~(170)Re高自旋转动带分析(英文)

通过重离子熔合蒸发反应142Nd(32S,1p3nγ)170Re布居了缺中子双奇核170Re的高自旋激发态,识别出了该核的一条转动带并建议了其组态为πh1/2 νi13/2。基于对同中子素能级系统性、旋称反转系统性、带内B(M1)/B(E2)、准粒子Routhians、动力学转动惯量和Total Routhian Surface(TRS)等带结构特征的详细分析和讨论,进一步确认了对A=170核区目前最缺中子双奇核高自旋转动带组态、宇称和自旋值的指定。     

Relative Intensity Noise in Optical Single Side Band Systems with Multiple In-Line Amplifiers: Analysis and Validation

This article analyzes and validates through simulation the influence of fiber nonlinearity, dispersion, and loss on the Relative Noise Intensity (RIN) spectrum at fiber output in externally modulated optical single side band (OSSB) systems. The analysis includes the RIN generated by the laser source, the effect of the OSSB modulator, and noise generated by the in-line optical amplifiers. The analysis takes into account conversion between phase noise and intensity noise introduced by fiber transmission. It is shown that, depending on the operating conditions, the system performance may be predominantly affected either by the laser RIN or by the noise generated by the in-line optical amplifiers. The impact of the OSSB modulator can be relevant when the RIN of the system is dominated by the laser noise and should therefore be considered.     

Relative Intensity Noise in Optical Single Side Band Systems with Multiple In-Line Amplifiers: Analysis and Validation

Abstract

This article analyzes and validates through simulation the influence of fiber nonlinearity, dispersion, and loss on the Relative Noise Intensity (RIN) spectrum at fiber output in externally modulated optical single side band (OSSB) systems. The analysis includes the RIN generated by the laser source, the effect of the OSSB modulator, and noise generated by the in-line optical amplifiers. The analysis takes into account conversion between phase noise and intensity noise introduced by fiber transmission. It is shown that, depending on the operating conditions, the system performance may be predominantly affected either by the laser RIN or by the noise generated by the in-line optical amplifiers. The impact of the OSSB modulator can be relevant when the RIN of the system is dominated by the laser noise and should therefore be considered.     

池厚对SiO2胶体光子带隙的影响

在薄池中，胶体晶体生长的速度比在厚池中快而且质量好。不同分散度的小球自排的实验结果表明：较差分散度的SiO2小球在超薄池中也能形成质量较好的单昌。光子带隙波长在薄池中有明显的红移，池厚为0.07mm的胶体单晶的带隙波长比池厚为1mm的胶体单晶的带隙波长红移了24nm。     

体积全息图中光子禁带结构性质的分析

利用光子晶体的概念和方法，从理论上分析了一维全息图在再现光以不同角度入射情况下禁带结构的性质。分析表明，当再现光非正入射时，体积全息图的禁带结构是倾斜的，正入射时的非倾斜结构是倾斜结构的一个特例。     

TeO2-TiO2-Bi2O3系统玻璃的热学特性及光学带隙研究

采用熔融淬冷法制备了系列高折射率的TeO2-TiO2-Bi2O3系统玻璃,测试了样品的密度、转变温度、析晶温度、折射率、吸收光谱,利用经典的Tauc方程计算了样品光学带隙允许的直接跃迁、允许的间接跃迁及Urbach能量.讨论了玻璃的热稳定性与组成之间的关系、研究了摩尔折射度、金属标准值、光学带隙、Urbach能量、Bi2O3和TiO2含量及光学碱度对玻璃样品折射率的影响.结果表明TeO2-TiO2-Bi2O3玻璃具有较好的热稳定性、样品的折射率随着摩尔折射度增大而增大,而光学带隙及金属标准值有减小的趋势,此外高的光学碱度对玻璃的高的三阶非线性也有一定的贡献.     

基于光谱波段优化选择的FTIR测量与分析

在主动式红外遥感测量中,大气中痕量气体的红外吸收与不同红外波段的透过率光谱有关。在很多情况下,透过率光谱在光谱定量分析中起到重要的作用,因此,对测量和仿真的透过率光谱的波段进行优化选择是定量分析的关键。文章对最佳透过率测量范围进行了理论分析, 得到了对应于待测气体浓度反演相对误差最小的理论最佳透过率值;基于谱线的洛伦兹线型通过计算得到了待测气体分子的吸收截面, 同时给出了透过率光谱的校准训练集;确定了单组分CO₂光谱测量分析的波段,优化了多组分CO, CO₂和N₂O光谱同时测量分析的波段并成功地应用于开放光路光谱仪系统。光谱拟合分析结果表明,测量光谱与参考光谱得到了很好的拟合,拟合均方根误差小于1%。     

Band gap studies of 2D photonic crystals with hybrid scatterers

Two-dimensional (2D) photonic crystals (PCs) of a square lattice with dielectric hybrid rods in air are proposed; these PCs consist of a square rod at the center of the unit cell and additional circular rods with their outermost edges against the middle of each side of the lattice unit cell. The band gap structures of PCs can be tailored and optimized by rotating the square rods and adding circular rods to the lattice unit cell. The variation of bands near the complete photonic band gap boundaries, due to some specific modes, is sensitive to certain structural parameters of the system. The results can be understood by analyzing the spatial energy distribution of the electromagnetic fields. Based on such a field analysis, a novel interpretative model is proposed. The PC can be fabricated easily and operated in the microwave region and, hence, should be suitable for applications in new microwave devices.     

梨花粉红外波段复折射率测定与分析

花粉是生物气溶胶重要的组成部分, 复折射率是研究花粉光学特性以及探测、识别生物气溶胶成分的重要参数。采用压片法对梨花粉2.5~15 μm波段的反射光谱进行了测量, 利用Krames-Kronig(K-K)关系计算了复折射率, 并就傅里叶红外光谱仪测试压片的入射角和复折射率长波长、短波长区外推两方面对结果作了误差分析。结果表明, 测试时18°入射角以及长波长、短波长区外推对梨花粉复折射率的计算结果影响不大, 利用反射光谱计算花粉复折射率的方法是可行的。计算得到的复折射率谱对梨花粉光学特性的研究以及生物气溶胶成分的探测、识别有一定的参考价值。     

双波段成像光学系统调焦过程的成像误差分析

双波段成像光学系统要达到像素级图像融合,两幅待融合图像间的空间差异要保证在一个像元范围内,因此必须从光机结构设计的层面上保证两个成像光学系统的光轴平行性达到所要求的精度。而由于制造、安装等误差的存在,光学系统在调焦过程中不可避免地会导致其光轴发生偏移。运用Zemax对调焦过程中影响光轴平行性的因素进行了仿真分析,并对光学系统进行了建模、成像误差分析与计算,最后得到了红外系统中可调焦镜片和可见光系统的最大容许安装误差,对于实际光学系统的装调具有一定的指导意义。     

高激发态钠原子与分子碰撞能量转移及分子扩散带辐射的增强效应研究

在钠原子分子混合体系中 ,实验研究了加入缓冲气体对高位态原子分子碰撞能量转移和分子扩散带辐射的增强效应 ;运用瞬态碰撞模型作了理论计算 ,理论结果与实验结果相符合     

Hg2准分子远紫外发射谱带研究

报道在高压汞弧灯中首次观测到Ｈｇ２准分子在２２５－２３５ｎｍ谱区、峰值位于２３０ｎｍ左右的连续发射谱带。实验研究了此发射带随温度的变化，与理论计算的辐射谱相比较，两者十分相符。     

配合物型分子导体（PyH）［Ni（dmit）2］2的能带结构及其导电性

采用EHMO紧束缚方法计算了配合物型分子导体 (PyH) [Ni(dmit) 2 ] 2 二维阴离子导电层中相邻两 [Ni(dmit) 2 ] - 0 .5 的HOMO轨道的重叠积分 ,并进行了二维能带计算 .计算结果与其单晶变温电导率测试结果一致 ,表明该配合物型分子导体为窄能隙半导体 .在能带计算基础上讨论了该类分子导体导电性与结构的关系 .分子导体的晶体结构对其能带结构和导电性能影响极大 ,分子柱的均匀化 (包括沿分子轴方向的错动尽可能小和面间距均一 )以及小的导电组元分子面间距是有利于增加分子导体的导电性的结构因素     

Suppression of Anti-resonant Effect in Presence of Band Overlap

By exact resolution of coupled ideal chains connecting an extra side site, we show that the so-called ＂anti-resonant effect＂ is suppressed when the electron energy is inside the overlap region of extended bands of the ideal tight-binding chains. When the electronic energy is outside the band overlap region, the existence of ＂anti-resonant effect＂ is tuned by details of local connectivity around the extra side site and can be suppressed by introduction of magnetic flux.     

具有二维光子带隙结构的太赫兹谐振腔的谐振特性

采用数值计算方法,模拟了具有二维光子带隙结构的太赫兹频段谐振腔的谐振模式场分布,计算了这种谐振腔的品质因数,详细分析了光子晶体结构、缺陷腔几何参量对谐振特性的影响.计算得到频率落在光子晶体禁带内的单一、高阶谐振模式,且缺陷腔横向尺寸越大,谐振模式的阶数越高.这种谐振腔具有很高的品质因数,腔体的纵向长度对品质因数的影响较大.     

Band Theory in the Context of the Hamilton-Jacobi Formulation

In the one-dimensional periodic potential case, we formulate the condition of Bloch periodicity for the reduced action by using the relation between the wave function and the reduced action established in the context of the equivalence postulate of quantum mechanics. Then, without appealing to the wave function properties, we reproduce the well-known dispersion relations which predict the band structure for the energy spectrum in the Krönig-Penney model.     

梨花粉红外波段复折射率测定与分析

花粉是生物气溶胶重要的组成部分,复折射率是研究花粉光学特性以及探测、识别生物气溶胶成分的重要参数。采用压片法对梨花粉2.5~15 μm波段的反射光谱进行了测量,利用Krames-Kronig(K-K)关系计算了复折射率,并就傅里叶红外光谱仪测试压片的入射角和复折射率长波长、短波长区外推两方面对结果作了误差分析。结果表明,测试时18°入射角以及长波长、短波长区外推对梨花粉复折射率的计算结果影响不大,利用反射光谱计算花粉复折射率的方法是可行的。计算得到的复折射率谱对梨花粉光学特性的研究以及生物气溶胶成分的探测、识别有一定的参考价值。     

Band gap anomaly and topological properties in lead chalcogenides

Band gap anomaly is a well-known issue in lead chalcogenides Pb X(X = S, Se, Te, Po). Combining ab initio calculations and tight-binding(TB) method, we have studied the band evolution in Pb X, and found that the band gap anomaly in Pb Te is mainly related to the high on-site energy of Te 5s orbital and the large s–p hopping originated from the irregular extended distribution of Te 5s electrons. Furthermore, our calculations show that Pb Po is an indirect band gap(6.5 me V) semiconductor with band inversion at L point, which clearly indicates that Pb Po is a topological crystalline insulator(TCI). The calculated mirror Chern number and surface states double confirm this conclusion.