基于带隙分析的三维反蛋白石光子晶体的非理想态结构参数的求解

应用平面波展开法分析了三维反蛋白石结构光子晶体的带隙性质;计算了沿[111]方向入射时其赝带隙(第一、第三赝带)中心频率分别与填隙材料在模板中填充率ff、模板煅烧因子sf的关系曲线:随ff的减小,v增大;随sf的增大,v随之增大,非理想状态下,ff＜100;、sf＞1,因此较理想态发生蓝移;由此提出了求解平均填充率ffev与平均煅烧因子sfev的计算框图.     

光子晶体多组元缺陷态问题研究

缺陷态光子晶体可以用于制作良好的谐振器、偏振器、滤光器等光学器件,具有重要的应用价值。本文发展了光子晶体缺陷态问题的PG有限元界面问题计算方法,有效地处理了各种不同组元体系、几何结构、界面形状、材料属性以及模态的光子晶体缺陷态问题。数值结果表明,二组元结构单点缺陷对带隙的影响较小,只是使局部范围内的波继续传播而产生一条缺陷带,多点缺陷使一些特定范围内的波可以传播而产生多条缺陷带,线缺陷产生的影响较大,可以使整个禁带消失。结合线缺陷与点缺陷,波导结构中的侧点缺陷可以有效地应用于光子晶体阻带内诱导窄通带或在波导的通带内诱导非常窄的阻带。三组元结构引入了不均匀介质、复杂介质形状以及不同几何结构的缺陷态。通过计算与分析发现Ω₃区域的介质形状对结果影响比较有限,表面层越不光滑禁带越窄,n型缺陷态在TM模中的高频区域更容易产生禁带。对于TE模来说,n型与v型的缺陷态更容易产生禁带。     

h-BN型超晶格等离子体光子晶体能带特性研究

六方氮化硼(h-BN)晶格结构是一种类六方对称复式超晶格结构。具有h-BN晶格构型的光子晶体以其宽光子带隙特点受到国内外学者的广泛关注。本文利用不同尺度低压气体放电管与Al₂O₃介质棒周期性排列,构建了新型h-BN型超晶格等离子体光子晶体,实现其空间结构和等离子体参数的动态调控。利用微波透射谱对比研究了h-BN型超晶格与简单三角晶格等离子体光子晶体禁带位置、宽度和数目。分析了放电电流、介质棒阵列数对不同频段光子带隙的影响,以及电磁波入射角度对电磁传输特性的影响。结果表明：等离子体的引入不仅能够形成新的光子带隙,而且可以选择性地使部分禁带位置发生移动;相对于简单三角晶格,h-BN型超晶格等离子体光子晶体呈现出更多光子带隙;Al₂O₃介质棒阵列数对等离子体光子晶体禁带位置、宽度和数目均具有重要影响。电磁波入射角度变化越大,电磁传输特性差别越显著,透射谱相关性越差。本文所设计的新型h-BN型超晶格等离子体光子晶体为制作可调谐光子晶体提供了新的思路,在微波和太赫兹波控制领域具有潜在应用价值。     

含左手材料的——维“啁啾”光子晶体的偏振特性

把“啁啾”函数引入含左手材料的一维光子晶体中,且左手材料的介电常数和磁导率采用Lossy Dryde model,利用传输矩阵法研究了其透射谱.结果表明:在“啁啾”函数对材料几何厚度调制较小时,该光子晶体有完整的禁带,随着调制的加强,禁带宽度增加,但底部逐步抬高.在相同的调制下,磁、电等离子体频率的比值越大,禁带宽度越宽.入射角增加,TE模的禁带宽度不变而TM模的禁带宽度变窄,TE模和TM模均产生了角度隙,此角度隙的宽度随入射角增加而变宽,且TM模的变化大于TE模的.周期数N变化时,角度隙基本不变.nR的变化对禁带和角度隙的位置没有影响,但nR越小,禁带底部越高且圆,角度隙中透射峰峰值越大.     

光在介电常数正弦调制的一维光子晶体中的传输

本文用平面波展开法和时域有限差分法研究了光在介电常数受正弦函数调制的一维光子晶体传输规律,发现该光子晶体同样具有一般光子晶体的带隙结构.带隙宽度随调制深度的增加而增加,随周期长度的增加而减小.还用时域有限差分法计算得到源频率分别在禁带和通带时电场在介质中的分布,禁带情况下电场在介质中受到抑制,通带情况下不受抑制.说明不论介质的介电常数如何分布,只要满足周期性的条件,介质都会具有一般光子晶体共有的本质特征.     

Deviations from square-root distributions of electronic states in hydrogenated amorphous silicon and their impact upon the resultant optical properties

We study the distributions of conduction band and valence band electronic states associated with hydrogenated amorphous silicon. We find that there are substantial deviations from square-root distributions, particularly deep within the bands and within the gap region. The impact of these deviations is assessed through a determination of the spectral dependence of both the joint density of states function and the imaginary part of the dielectric function. These deviations are found to have a considerable effect upon the determination of the corresponding Tauc optical gap, the optical gap obtained for the case of hydrogenated amorphous silicon being 220 meV lower than the energy difference between the valence band and conduction band band edges. We suggest that the standard interpretation for the Tauc optical gap, as the energy difference between these band edges, should be reconsidered in light of these results.     

Fabrication and optical properties of two‐dimensional photonic crystal of ZnO pillars

Two‐dimensional (2D) photonic crystal of ZnO pillars was synthesized on silicon substrate by the combination of template method and vapor‐phase transport method. The microstructure and morphology of the ZnO photonic crystal was evaluated by using scanning electron microscope (SEM) and X‐ray diffraction (XRD). Large‐area specular reflectance measurements showed the presence of photonic stop band. The effect of the photonic band gap and the special structure on the photoluminescence (PL) properties of ZnO photonic crystal has been investigated. Both suppression and enhancement in the PL were observed. Raman scattering analyses demonstrated that the defect of ZnO photonic crystal exists in this experiment. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Investigation of optical band gap in potassium acid phthalate single crystal

Optical absorption in photonic crystals of potassium acid phthalate has been measured at room temperature, from which the band gap has been determined and the optical band gap was calculated by using absorption spectrum. The analysis of absorption coefficient in the absorption region reveals a direct band gap of 3.70 eV. Further this study includes the theoretical calculations to determine the optical constant of the material and a technique for photonic band gap tuning which is minimally required to develop the optoelectronic device. It was confirmed that potassium acid phthalate crystal has maximum transparency in the entire visible region and hence it exhibits industrial application oriented properties. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

光子晶体中掺杂激活杂质的光增益研究

本文借助光子晶体中二能级原子的自发辐射理论说明缺陷态局域场存在的必然性以及局域场基本性质,为研究掺杂自发辐射的内在规律提供了理论依据,在此基础上,将自发辐射理论与数值模拟相结合,在缺陷介质中掺入和未掺入激活杂质时,数值模拟研究一维光子晶体的掺杂局域场特征以及受激辐射增强和透射率大于1现象与光子带隙边缘群速度异常和掺杂层复有效折射率负的虚部之间的内在规律,由此说明如在光子晶体的缺陷介质中掺入激活杂质,复有效折射率具有负的虚部,光子禁带中会出现品质因子非常高的杂质态,具有很大的态密度,这样便可实现自发辐射的增强,出现较强的受激辐射放大,在带隙的边缘处,光子晶体的群速度较小或群速度异常,受激辐射放大最容易出现在靠近光子带隙的边缘。     

石墨烯及石墨烯/氮化硼的电子结构特性研究

化学气相沉积法生长的单层石墨烯具有卓越的力学、热学和电学特性,成为新一代纳米器件的首选材料。对石墨烯电子特性的理论研究有利于推动纳米器件的发展与应用。本文基于密度泛函理论与非平衡格林函数相结合的方法,系统地研究了石墨烯及石墨烯/氮化硼的电子结构特性。结果表明,在高对称K点,带隙为零。在50~400 K范围内,由于费米面的电声子散射作用,单层石墨烯的迁移率随着温度增加呈现显著下降趋势。此外,通过对不同层间距的石墨烯/氮化硼结构的能带、态密度、电子密度等特性分析,发现随着层间距增加,能带间隙减小,导带与价带间的能量差减小。随着原子个数的增加,石墨烯/氮化硼超胞结构与原胞结构的带隙开度变化规律一致,这对石墨烯基器件的结构设计具有一定的指导意义。     

Microscopic modeling of the optical properties of semiconductor nanostructures

A brief overview of a consistent microscopic approach to model the optical and electronic properties of semiconductor nanostructures is presented. Coupled semiconductor Bloch and Maxwell equations are used to investigate the performance of semiconductor microcavity structures, photonic band gap systems, and lasers. The predictive potential of the microscopic theory is demonstrated for several examples of practical importance. Optical gain and output characteristics are computed for modern vertical external cavity surface emitting laser structures. It is shown how design flexibilities can be used to optimize the device performance. Nanostructures are proposed where semiconductor quantum wells are embedded in one-dimensional photonic crystals. For field modes spectrally below the photonic band edge it is shown that the optical gain and absorption can be enhanced by more than one order of magnitude over the value of the homogeneous medium. The increased gain can be used for laser action by placing quantum wells and a suitably designed photonic crystal structure inside a microcavity.     

复式BN结构固/气型声子晶体的带隙研究

将复式BN结构引入固/气型声子晶体,其基元包含两个截面半径不同的圆柱体,三角格子和石墨结构作为BN结构的特殊情况被考虑在其中.用平面波法研究了其带隙结构,发现改变两圆柱体的截面半径比及填充率,就可调节声子晶体的带隙结构和范围,从而实现有选择性的滤波效应.此外,三角晶格容易在高填充率下获得高频宽带隙,而普通BN结构及石墨结构在低填充率条件下可获得低频宽带隙.     

Y掺杂WS2二维材料的第一性原理研究

WS₂由于其优异的物理和光电性质引起了广泛关注。本研究基于第一性原理计算方法,探索了本征单层WS₂及不同浓度W原子替位钇(Y)掺杂WS₂的电子结构和光学特性。结果表明本征单层WS₂为带隙1.814 eV的直接带隙半导体。进行4%浓度(原子数分数)的Y原子掺杂后,带隙减小为1.508 eV,依旧保持着直接带隙的特性,随着Y掺杂浓度的不断增大,掺杂WS₂带隙进一步减小,当浓度达到25%时,能带结构转变为0.658 eV的间接带隙,WS₂表现出磁性。适量浓度的掺杂可以提高材料的导电性能,且掺杂浓度增大时,体系依旧保持着透明性并且在红外光和可见光区对光子的吸收能力、材料的介电性能都有着显著提高。本文为WS₂二维材料相关光电器件的研究提供了理论依据。     

Photonic Heterostructures with Properties of Ferroelectrics and Light Polarizers

The optical and electro-optical properties of a new type of photonic heterostructure composed of alternating ferroelectric molecular layers and optically anisotropic layers of another material are considered. A numerical simulation of the real prototype of this heterostructure, which can be prepared by the Langmuir—Blodgett method from layers of a ferroelectric copolymer (polyvinylidene fluoride trifluoroethylene) and an azo dye with photoinduced optical anisotropy, has been performed. It is shown that this heterostructure has pronounced polarization optical properties and yields a significant change in the polarization state of light at the photonic band edges in the ranges of the maximum density of photon states. The latter property can be used to obtain an enhanced electro-optic effect at small spectral shifts of the photonic band (the latter can be provided by the piezoelectric effect in ferroelectric layers).     

含谐振单元和弹性支承谐振单元的声子晶体低频禁带特性研究

在结构中周期性地添加谐振单元可以构造局域共振声子晶体并产生低频禁带。本文提出了一种具有谐振单元和弹性支承谐振单元的声子晶体结构,通过声子晶体理论和振动理论对该结构的禁带特性和禁带调控特性进行了计算与分析。结果表明,该结构可在0 Hz处形成禁带;禁带内对振动的衰减强度由衰减因子和有限结构周期数共同决定;结构中存在1条可调控禁带和3条不可调禁带;可调控禁带可以通过改变谐振单元和弹性支承谐振单元的结构参数加以调控;不可调禁带包括第一禁带,它们能够较为稳定地对一定频率的弹性波产生衰减作用。该结构所具有的禁带特性在管路、桥梁和汽车减振领域具有潜在应用。     

管道超结构轴向带隙特性分析及实验研究

本文提出一种新型管道超结构元胞构型,其轴向振动带隙包括局域共振型和布拉格(Bragg)散射型两种带隙,该结构在2 500 Hz内共有两阶带隙,且第二阶带隙频率范围较宽。分别应用传递矩阵法和有限元法计算了该结构的能带结构分布及有限周期结构传输特性;搭建了包含4个元胞的管道超结构实验平台进行振动测试,并与计算结果进行对比验证;最后讨论了不同参数对其带隙分布的影响规律。结果表明,所研究管道超结构在2 500 Hz内共有两阶带隙,第一阶带隙主要为局域共振型带隙,凸台和振子的几何尺寸对其影响较大,元胞尺寸对其影响较小。第二阶带隙主要为布拉格散射型带隙,带隙宽度可达923 Hz,该带隙分布随元胞长度、凸台长度和振子厚度改变而改变。合理设计结构各部分几何尺寸,可满足工程中特定频段抑振的需求。     

Structure simulation and study of electronic and dielectric properties of two derivatives of benzamide

First-principles calculations based on density functional theory have been done on the chlorinated phenyl benzamides; 4-chloro-phenyl-benzamide – C13H10ClNO, and 2-chloro-3-chloro-phenyl-benzamide – C13H9Cl2NO. The triclinic structure of 4-chloro-phenyl-benzamide and orthorhombic structure of 2-chloro-3-chloro-phenyl-benzamide have been simulated and the structural parameters have been found out. Electron density of states has been computed in the materials using the electronic structure calculation code of Quantum-Espresso which gives a band gap of 0.74 eV in case of 4-chloro-phenyl-benzamide. This value is close to the value exhibited by semiconducting materials and photonic band gap materials. Band gap in case of 2-chloro-3-chloro-phenyl-benzamide comes out to be 3.08 eV. This value is in the range exhibited by NLO materials. Dielectric constant of the materials has been computed. The value of dielectric constant in 4-chloro-phenyl-benzamide comes out to be 2.78, 3.14, and 3.92 along X, Y, and Z axes, respectively, and the average value comes out to be 3.28. The value of dielectric constant in case of 2-chloro-3-chloro-phenyl-benzamide comes out to be 1.39, 1.53, and 1.34 along X, Y, and Z axes, respectively, and the average value comes out to be 1.42. Thus, additional chlorination is increasing the band gap and decreasing the dielectric constant in phenyl benzamide.     

二维连接板式声子晶体低频带隙仿真研究

为了能够控制低频噪声,设计了一种二维连接板式声子晶体。运用有限元法计算了该结构的色散曲线及位移场。结果表明,所设计结构在29.37~354.07 Hz存在带隙。与文献模型相比,该结构的起始频率更低,带隙更宽,说明连接板结构声子晶体更容易获得低频带隙。通过位移场的振动模态分析,并结合质量-弹簧模型,解释了带隙产生的原因。在此基础上,讨论了连接板宽度和硅橡胶包覆层开孔半径大小对带隙的影响,随着连接板的宽度减小以及硅橡胶包覆层上孔的半径减小,该结构的带隙逐渐变宽。     

化学还原法向二氧化硅人工欧泊中填充Se

本文提出了一种新的调节人工欧泊晶体的光学带隙的方法.采用改进的溶剂蒸发法将单分散SiO2微球组装成在红外光区具有光子带隙的人工欧泊,采用化学还原法向欧泊中填充高折射率材料Se,改变其光学带隙特性.采用扫描电子显微镜(SEM)、X射线衍射和可见-近红外光谱仪(VIS-NIR)等对Se-SiO2三维光子晶体的形貌、结构和光学性能进行了观察测试.研究结果表明Se以纳米晶粒的形式均匀地包覆在SiO2微球表面,与相同晶格周期的SiO2光子晶体相比,Se-SiO2光子晶体的带隙发生明显的红移.     

一维光子晶体结构参数的随机扰动对其光学特性的影响

用特征矩阵法研究结构参数存在随机扰动的情况下一维光子晶体的光学特性, 无论是加工过程中介质层几何厚度的误差, 还是介质层折射率的随机波动都会影响一维光子晶体的光学特性.随机扰动对一维光子晶体带结构高频部分影响较大, 造成带结构消失, 甚至全部变成禁带; 随机扰动对光子晶体缺陷模式的影响是使缺陷模的位置发生随机平移, 平移的程度与随机度有关, 介质层折射率的随机变化要比介质层厚度的随机变化对缺陷模位置的影响要大; 周期数目的增加可以部分地减小缺陷模的平移, 但同时会使缺陷模透射率减小,增加缺陷层厚度可以有效降低随机扰动对光子晶体缺陷模式的影响. 本文的研究将对一维光子晶体的设计工作提供有价值的参考.