一维光子晶体完全光子禁带与结构的关系

阐述了完全光子禁带的概念.用光学特征矩阵方法,通过数值模拟计算,讨论了一维光子晶体出现完全光子禁带与晶体结构和介质材料的折射率的密切关系.具体计算了用同样两种介质材料组成3种不同结构的一维光子晶体,对于TM及TE电磁模式在不同入射角下的透射率谱,从中找出它们的完全光子禁带,发现3种结构的完全光子禁带的波长范围及宽度各不相同.另外,研究结果表明组成光子晶体的两种材料的折射率差别越大,两种电磁模的禁带越宽,越容易产生完全光子禁带.简单讨论了完全光子禁带出现的条件.     

光子晶体应用于浓度检测的模拟研究

采用平面波展开法数值计算二维光子晶体在TE和TM偏振态下的带隙,给出了光子晶体中的禁带存在的理论依据,选择二维三角晶格光子晶体（GaAs）作为基底,在气孔内填充浓度为一定的待测溶液硫酸铜材料,计算温度为298K情况下介电常数在71．917～62．530变化时,光子晶体在不同偏振模式下的光子禁带结构,结果表明,以硫酸铜的水溶液作为空气圆孔中的介质材料,当溶液质量百分浓度不同时光子带隙（PBG）发生显著变化。     

单元结构尺寸对不锈钢/空气二维声子晶体声波禁带的影响

使用平面波展开法,讨论了单元结构尺寸对正方形排列的不锈钢／空气二雏声子晶体声波禁带的影响。结果表明,当填充率(晶格常数)增大时,最低禁带宽度增大(减小);最低禁带中心频率基本不受散射体半径的影响,但随晶格常数的增大而降低。     

基于平面波算法的二维正方点阵声子晶体禁带研究

声子晶体能够产生完全的弹性波禁带，可以阻止声波或者振动在其内部传播。采用平面波算法研究了二维正方点阵声子晶体的禁带结构。在甲醇／水银双组分二维（2D）液相体系中发现了很大的完全禁带，到目前为止，在固相体系和其他液相体系中还没有发现相同宽度和相同数量的完全禁带。还研究了声子晶体中散射体的横截面为圆形和绕其中心轴旋转任意角度的正方形时完全禁带的产生规律，探索了第一禁带宽度与第一禁带中心频率的比值△Ω1/Ωc1和填充率F之间的关系，以及前50个频带中禁带的总宽度∑△Ωn/Ωcn和填充率F之间的关系。     

Cd-O共掺杂ZnTe第一性原理计算

采用基于密度泛函理论的第一性原理平面波超软赝势方法计算了未掺杂,Cd、O单掺杂及Cd-O共掺杂ZnTe的几何结构、能带结构、态密度分布、光吸收谱和介电常数等性质。结果表明:掺杂后的ZnTe晶格常数发生变化,其中Cd掺杂的ZnTe晶格失配最大;三种掺杂均使ZnTe禁带宽度减小,并引入杂质能级,其中O掺杂和Cd-O共掺杂的ZnTe的禁带宽度变化较为明显,同时掺杂后ZnTe吸收带边出现不同程度的红移。     

空气中周期管阵列的声波禁带研究

本文以不锈钢管正方形排列在空气中形成的二维声子晶体为对象,使用平面波展开法计算并通过实验测试的方法,分析了该二维声子晶体的声波禁带,讨论了晶格常数对声波禁带的影响.结果表明,随着晶格常数的减小,ΓX方向禁带宽度增加,禁带上下边界频率增大.     

可见光区一维光子晶体纳米膜偏振带通滤波器的设计

应用一维时域有限差分方法研究各种条件下一维二元光子晶体的偏振带通滤波特性,具体数值分析了掺杂层位置、厚度、电磁参数、入射角度四种因素对偏振滤波特性的影响.数值结果表明传统意义上的光学多层膜是一维二元光子晶体在光学厚度满足四分之一波长时的特例;可见光区的偏振滤波器的窄带滤波特性与掺杂层的位置有关,掺杂层在整个膜中间位置时偏振分离效果好,掺杂层的厚度与周期层厚度相差越大则分离效果越好,两组元折射率相差越大越易形成禁带,入射角越大禁带越窄,偏振的分离度越好.特别是P偏振局域模更多;在线度参数相同的情况下介质电磁参数对禁带有较大影响,禁带只有在两组元折射率相差越大才能形成,介质损耗同样是不可忽略的因素;光源的入射角对禁带有重大影响.本文的研究对光子器件的设计有一定的指导作用.     

Band Gap Characteristic and Transmission Spectrum of Ring-shaped Holes Photonic Crystal in THz Range

采用平面波展开法研究了2D三角晶格空气孔型光子晶体的带隙结构和空气环型光子晶体的完全带隙。结果发现空气孔半径R从0.41a到0.49a之间变化时,空气孔型的完全带隙会越大;在同一空气孔半径(R=0.41a~0.47a)下空气环型结构都能得到比空气孔结构更宽的完全带隙,得到最优参数R=0.47a,r=0.133a下的完全带隙为0.1698THz,是空气孔结构的1.15倍。使用时域有限差分法研究了空气环型结构的透射谱,根据计算结果设计了(0.7198~0.8655)THz波段的滤波器。     

过渡金属掺杂单层MoS_2的第一性原理计算

利用基于密度泛函理论的第一性原理平面波赝势方法分别计算了本征及过渡金属掺杂单层MoS_2的晶格参数、电子结构和光学性质。计算结果显示,过渡金属掺杂所引起的晶格畸变与杂质原子的共价半径有联系,但并不完全取决于共价半径的大小。分析能带结构可以看到,Co、Ni、Cu、Tc、Re和W掺杂使能带从直接带隙变成了间接带隙。除了Cr和W以外,其它掺杂体系的禁带区域都出现了数目不等的新能级,这些杂质能级主要由杂质的d、S的3p和Mo的4d轨道组成。掺杂对MoS_2的光学性质也产生了相应的影响,使MoS_2的静态介电常数、介电函数虚部峰值、折射率和光电导率峰值呈现不同程度的增加。     

锑化物二类超晶格热电材料:能带结构、热电性能、制备与测试

热电器件由于结构简单、可靠性好、无污染等优点,在微电子、能源等领域具有广泛的应用。探索具有高热电优值(ZT)的新材料是近些年来的研究热点。超晶格材料由于独特的量子限制效应和声子界面散射,ZT值比块体材料大幅度提高。而锑化物二类超晶格与传统超晶格不同,其禁带呈错开状,由此又可以带来热电性能新的变化。阐述了锑化物二类超晶格的能带结构以及能够获得高ZT值的优势,介绍了其热电机理和研究进展,以及当前该类超晶格的制备工艺和测试方法。     

Broadening of Photonic Band Gap in a One—Dimensional Superconductor Star Waveguide Structure

The present paper describes the theoretical investigation of enlarged reflection bands (photonic band gaps) in a 1D star waveguide (SWG) structure consists of superconductor and dielectric as its constituent materials. For the present study, we take the different combinations of superconductor and dielectric materials as a backbone and side branches of the SWG structure. In order to obtain the dispersion relation, Interface Response Theory (IRT) has been employed. Photonic band gaps of SWG structure having superconductor?Csuperconductor, superconductor?Cdielectric, and dielectric?Csuperconductor materials are compared with the band gaps of the conventional photonic crystal (PC) structure having superconductor?Csuperconductor and dielectric?Csuperconductor materials. Analysis of the dispersion characteristics shows that there exists no band gaps for conventional PC when both layers are made of the same superconducting materials (as the usual case) while the SWG structure shows forbidden bands of finite width even the backbone and side branches are made of same materials. Also, the SWG structure having superconductor?Cdielectric shows the wider reflection bands in comparison with the structure having dielectric?Csuperconductor as its constituent materials, while for the conventional PC structure it is same in both the cases. Further, the effect of temperature and the effect of variation of number of grafted branches on the photonic bands of SWG structure have been studied.     

A simple perturbative tool to calculate plasmonic photonic bandstructures

We use first order perturbation theory to study the effect of surface plasmon polaritons on the photonic band structure of plasmonic photonic crystals. Our results are based on a simple numerical tool that we have developed to extend the standard frequency domain methods to compute the photonic band structure of plasmonic photonic crystals. For a two-dimensional honeycomb photonic crystal with a lattice constant of 500 nm placed on an aluminium substrate, we show that the band gap for TM modes is enhanced by 13%. Thus a slight variation in the effective dielectric function results in a plasmonic band structure that is not scale-invariant, which is reminiscent of the inherent non-linear properties of the effective dielectric constant.     

Studies of polaritonic gaps in photonic crystals

In a photonic band structure two kinds of gaps with different origins can be observed. Photonic gaps are determined by the symmetry of the photonic crystal, the lattice constant, and the contrast of the dielectric functions for the two components. Polaritonic gaps originate from the bulk optical properties of one of the components. Excitation of ionic components in the lattice results in a photon energy interval in which the dielectric function is negative. Here we investigate the interaction between photonic gaps and polaritonic gaps in one-dimensional and two-dimensional photonic structures. In particular, we show that by such interactions the polaritonic gap can be made wider and stronger, be left unchanged, or be made to vanish.     

Large complete bandgaps in a two-dimensional square photonic crystal with isolated single-atom dielectric rods in air

It is well known that the square lattice of isolated single-atom dielectric rods in air does not give rise to complete bandgaps even when asymmetry is introduced to lift some degeneracy. However, in this paper, a new kind of two-dimensional square photonic crystal with isolated single-atom dielectric rods in air formed by holographic lithography is proposed, and the relation between their photonic bandgap properties and their specific holographic design are systematically analyzed. In addition to the large complete relative bandgap, namely 9.68% gap/midgap ratio for the dielectric constant contrast of 13.6:1, this structure has very large tolerance on the system parameters and fabrication conditions. This fact can greatly relax the experimental requirements. This work may demonstrate the unique feature and advantages of photonic crystals made by the holographic method and provide a guideline for their design and fabrication.     

新型GYSGG(GdxY3-xSc2Ga3O12)晶体的生长、结构及透过光谱研究

采用提拉法成功生长出高质量的GYSGG(Gd_0.63Y_2.37Sc₂Ga₃O₁₂)晶体, 对其结构及透过光谱进行了研究。GYSGG晶体的晶格常数大于目前常用的GGG 和CaMgZr:GGG,介于YSGG与GSGG之间。可通过改变晶体中Gd与Y的比例, 获得应用中所需不同晶格常数的晶体基片。另外, 晶体三个结晶面的摇摆曲线有对称的形状和较小的半高宽, 表明晶体有较好的结晶完整性。观察分析了晶体三个结晶面的位错腐蚀图。透过光谱分析表明晶体有宽的透光波段, 将计算得到的折射率曲线拟合得到了折射率塞米尔方程系数。因此, GYSGG不仅是一种优良的激光基质晶体, 也是一种宽波段窗口材料和潜在的具有较大晶格常数, 并且晶格常数可调的新型磁泡应用衬底材料。     

Analysis of a two-dimensional photonic bandgap structure fabricated by an interferometric lithographic system

An interferometric lithographic technique and double exposure method are applied to theoretically and experimentally investigate several kinds of 2D periodic structures. The shape, lattice symmetries, and lattice constants of the 2D structures, for different substrate rotational angles, are obtained from the simulated predictions. The shape of the 2D structures can be varied by controlling the rotational angle of the substrate and the development process, and they are validated experimentally. The variation of the lattice symmetry of the 2D structure with the substrate rotational angle is discussed in detail in relation to the axial angle and lattice constant. It is found that square, circular, rectangular, and elliptical scatterers which are arranged in parallelogram, triangular, and square lattices (with different lattice constants) can be obtained. The photonic bandgaps for each condition are also investigated. When the substrate rotational angles are the same, the normalized frequency (omega a/2 pi c) of photonic bandgap structures with an equal filling factor are very similar regardless of the interference angle. The results are helpful in designing the forbidden frequency when the lattice constant and the scatterer shape can be controlled by the interferometric lithographic technique.     

利用第一性原理研究Ge:Si电子结构与光学性质

采用基于密度泛函理论的平面渡超软赝势方法和广义梯度近似,计算了掺杂Ge前后单晶Si中Si-Ge键的布居值、键长以及能带结构和态密度.计算结果表明,Ge掺杂后体系晶格常数发生变化,Ge-Si键变长,布居值及带隙宽度减小.还进一步研究了掺杂Ge后的光学性质,掺杂后静态介电常数值与纯Si相比有所增大,且吸收带宽变窄、吸收带边明显红移,并对这些掺杂诱导的材料物性变化进行了解释.