二维色散和各向异性磁化等离子体光子晶体色散特性研究

采用平面波展开法和时域有限差分法研究了二维色散和各向异性磁化等离子体光子晶体的色散特性.当波矢在周期平面时,由于外加磁场的作用使TE模的色散曲线出现两个不同区域的平带,改变磁场的大小不但可以控制平带的位置,而且可以控制光子带隙的位置和大小.增大背景材料的介电常数,可以形成全方向光子带隙,随着背景材料介电常数的增加,带隙的中心位置降低但带隙宽度增加.当波矢偏离周期平面时,色散曲线不再分为TE和TM模,随着非周期平面波矢的增加,带隙位置上移,带隙宽度先增加随后基本保持不变.     

一维全息光子晶体的带隙结构研究

对一维全息底片运用光子晶体的概念,利用平面波展开法和传输矩阵法,数值计算了介电常数余弦调制的一维全息光子晶体结构的带隙,主要针对全息记录材料为重铬酸盐明胶时设置了计算用参数,计算结果表明对于折射率周期性渐变的一维全息晶体结构同样具有一般光子晶体的带隙,进而研究了带隙的特点.发现禁带宽度随着所使用的记录介质折射率的增加而减小,随着介质折射率调制的增加而增加;带的位置随着介质折射率的增加而移向低频,随着介质周期长度的增加移向低频,折射率调制的改变基本不影响禁带位置.     

均匀等离子体光栅的色散特性研究

最近研究表明,两束交叉激光脉冲在等离子体中传播时,可以诱导生成周期等离子体密度调制(或称等离子体布拉格光栅). 分别利用传输矩阵法和耦合模理论,推导了激光斜入射时等离子体光栅的色散关系. 两种方法均表明,均匀等离子体光栅存在着光子带隙结构,并且在带隙附近有强烈的色散. 当激光斜入射时,带隙结构会呈现不同的偏振特性：S偏振光的带隙宽度随着入射角的增大而逐渐变宽,而P偏振光的带隙宽度随着入射角的增大先迅速变窄,在布儒斯特角入射时带隙消失,然后又随着入射角的增大而迅速变宽. 超宽的光子带隙和超高的激光损伤阈值,使得等离子体光栅有望成为一种新型的操纵强激光脉冲的光子器件. 关键词： 等离子体光栅 传输矩阵法 耦合模理论 光子带隙     

单负色散材料光子晶体的带隙特性研究

针对单负色散材料构成的光子晶体的带隙特性进行了详细地研究.首先采用传输矩阵法分析计算了该结构的带隙产生与材料介电常数、磁导率色散特性间的关系,然后计算了带隙宽度和中心频率受入射场极化方式、入射方向、介质材料厚度比例缩放和厚度无序的影响程度,最后分析并对比了单负色散材料和普通材料构成的渐变周期光子晶体的传输特性.结果证明单负色散材料可以在光子晶体中引入一种受结构参数影响很小的带隙,同时和普通材料相比,在渐变周期结构中可以有效地拓宽Bragg带隙宽度,改善传输特性.     

一维指数形变截面有限周期声子晶体的研究

本文利用集中质量法对弹性纵波在一维指数形截面有限周期声子晶体中的传播进行了研究, 得到了频率响应函数的表达式. 与一维等截面的声子晶体相比, 指数形变截面声子晶体带隙内的衰减值随着输出端截面积的增大而减小, 同时带隙的起始频率降低而截止频率升高, 也即带隙的宽度会得到拓展. 晶格常数和材料组份比变化时, 变截面声子晶体带隙的起始频率和截止频率的变化趋势与等截面时的声子晶体相同. 希望本文的研究能够推动声子晶体在减振降噪等领域中的应用.     

含超导材料Thue-Morse序列一维光子晶体传输特性研究

超导光子晶体是一类重要的带隙可调谐的光子晶体.利用传输矩阵法研究了含超导材料的Thue -Morse序列准周期结构—维光子晶体在可见光波段的传输特性.数值结果表明在正入射时,光子带隙宽度和位置基本不随序列项数的增加而改变;准周期超导光子晶体的传输特性可以通过改变传统电介质材料的结构参数和环境温度等来进行调节.     

一维微波光子晶体带隙的仿真和实验研究

利用MPB软件和MEEP软件对一维光子晶体带隙结构及透射谱进行了仿真与实验研究.讨论了不同介质填充比和介质相对介电常数对光子晶体带隙结构的影响.仿真结果表明,当高相对介电常数介质的填充比增大时,或高相对介电常数增大时,光子晶体带隙的中心频率缓慢减小,带隙宽度呈先增大后减小的趋势,存在一极大值点.采用高相对介电常数介质薄板[钛酸钡(BaTiO<,3>)粉末混合聚二甲基硅氧烷(PDMS)胶体]和泡沫薄板周期性排列组成一维光子晶体.实验上制得了高低介质相对介电常数分别为4.5和1,填充比为1:1,晶格常数为10 mm,周期数为5的光子晶体,并测量出该光子晶体的微波透射谱.测量结果表明,在8～12 GHz的微波频段,该光子晶体的带隙中心频率为9.3 GHz,带隙宽度为500 MHz.     

含各向异性左手材料的一维Thue-Mores准周期结构的反射带隙

采用传输矩阵法,研究了由各向同性右手材料和各向异性左手材料组成的Thue-Morse准周期结构的反射带隙,分析了入射角、偏振和晶格比例缩放因子对反射带隙的影响.结果表明该结构存在一个全方向反射带隙,该带隙的宽度由TE模的低频带边缘和TM模的高频带边缘决定.当在该结构中插入一层缺陷时,在全方向带隙中出现一条缺陷模.对TE模,缺陷模的位置受入射角的影响很弱,而对TM模,缺陷模的位置随入射角的增大,向高频方向移动.     

含有理想导体的准分形结构光子晶体的能带

用时域有限差分方法计算了一组具有相似几何结构且包含理想金属材料的准分形光子晶体的能带.数值计算结果表明，这种准分形结构光子晶体具有绝对带隙，且带隙的宽度会 随着分形级数的增大而增大.同时，随着级数的增大，其能带在整体地趋向于高频端的同时，能带会被快速拉直而形成孤立的能级. 关键词： 光子晶体 带隙 分形     

木堆结构三维光子晶体带隙特性

基于平面波展开法研究木堆结构三维光子晶体带隙特性.用硅材料构成木堆结构三维光子晶体,改变结构中木条的宽度和长度,得到当木堆条宽度为5μm,高度为7μm时形成的带隙结构较宽,在0.2899-0.3804Hz,带隙宽度为0.0905Hz.改变构成木堆结构三维光子晶体的材料,得到锗材料构成木堆结构三维光子晶体带隙结构在0.2585-0.3500Hz,带隙宽度为0.0915Hz,带隙相比硅材料和碳化硅材料较宽.研究结论为三维光子晶体的制备提供参考.     

Charge-density-wave phase of 1T-TiSe2: the influence of conduction band population

The charge-density-wave phase of TiSe(2) was studied by angle-resolved photoelectron spectroscopy and resistivity measurements investigating the influence of the band gap size and of a varying population of the conduction band. A gradual suppression of the charge-density-wave-induced electronic superstructure is observed for a variation of the band gap in the ternary compounds TiC(x)Se(2-x) with C=(S,Te) as well as for an occupation of only the conduction band by H(2)O adsorption-induced band bending. These observations point to an optimum band gap and support an excitonic driving force for the charge-density wave.     

Effect of oxidation of graphene nanoribbons on electronic and magnetic properties

The electronic properties, band gap and ionization potential as well as the energies of the singlet and triplet states of zigzag and armchair graphene nanoribbons are calculated as a function of the number of oxygen atoms on the ribbon employing density functional theory at B3LYP/6-31G* level. The calculated band gaps indicate that both structures are semiconducting. The band gap of the armchair ribbons initially decreases followed by an increase with oxygen number. For zigzag ribbons the band gap decreases with increasing oxygen number whereas the ionization potential increases with oxygen content. In both armchair and zigzag ribbons the ionization potential shows a gradual increase with the number of oxygen atoms. Some of the oxygenated ribbons calculated have triplet ground states and have the density of states at the Fermi level for spin down greater than spin up suggesting the possibility they may be ferromagnetic semiconductors.     

Photonic band gap failure in photonic crystal devices

The photonic crystal is an artificial material with periodic dielectric constant and the key factor to preserve their band features is its periodicity. When the number of periods of photonic crystal is decreased the photonic band gap cannot prevent the light of the corresponding frequencies from propagating in photonic crystal, in another word, photonic band gap will be failure. The minimum periods of photonic crystal device which can keep photonic band gap effective in miniaturization process is analyzed, the transmittance spectrum is calculated by the Finite-difference time-domain algorithm (FDTD) [1], the minimum periods is got in the simulation and the reason which affects the minimum periods is analyzed in this paper.     

基于光子晶体塔姆态的带隙分裂

将由两个一维介质层光子晶体组成的异质结拓展为超晶格结构,分析了该结构的能带和透射谱。该超晶格结构可以产生多个界面隧穿态,它们之间的耦合可产生新的通带。研究结果表明,该通带的宽度随光子晶体的周期数变化,而通带的中心位置保持不变。当光子晶体周期数取特定值时,这个通带将发生分裂,在带间产生零相位带隙或π相位带隙。     

Band gap structure of disordered chiral photonic crystals

Based on the non-symmetric transmission-line method, the band gap structure of disordered chiral photonic crystals (CPC) has been investigated. The influence of the chiral parameters, the disorder, the periods and the refractive index on the band gap structure has been discussed. It is found that the photonic band gap (PBG) in CPC is more obvious than that in the conventional photonic crystals, and the PBG can be increased by increasing the periods or the contrast of the refractive index of the two media. It is also found that the existence of disorder will influence the band edge of the PBG, and such influence will increase with the increment of periods or the contrast of the refractive index of the two media.     

二维BC2 N薄片的结构稳定性和电子性质

采用基于密度泛函理论的第一性原理方法,对二维BC₂N薄片的结构稳定性和电子性质进行了系统的研究.计算了BC₂N化合物16种可能的二维单层结构.对它们的能带结构分析发现,对称性最高的构型与石墨烯一样是一种半金属,而其他二维结构则为有不同带隙的半导体,其中最稳定的构型是带隙值为1.63 eV的直接带隙半导体.对最稳定构型的差分电荷密度分析和Bader分析发现:在最稳定的构型中,C–C键、C–N键、C–B键和B–N键主要以共价键的形式呈现,也具有比较明显的离子性.在应力作用下最稳定构型的单层BC₂N的带隙宽度会发生变化,压缩时带隙变宽,而拉伸时带隙变窄,但仍然为直接带隙半导体. 关键词： 2N')" href="#">BC₂N 单层原子薄片 电子结构 从头计算     

Effect of defects on the electronic structure of a PbI_2/MoS_2 van der Waals heterostructure: A first-principles study

PbI_2/MoS_2, as a typical van der Waals(vdW) heterostructure, has attracted intensive attention owing to its remarkable electronic and optoelectronic properties. In this work, the effect of defects on the electronic structures of a PbI_2/MoS_2 heterointerface has been systematically investigated. The manner in which the defects modulate the band structure of PbI_2/MoS_2, including the band gap, band edge, band alignment, and defect energy-level density within the band gap is discussed herein. It is shown that sulfur defects tune the band gaps, iodine defects shift the positions of the band edge and Fermi level, and lead defects realize the conversions between the straddling-gap band alignment and valence-band-aligned gap, thus enhancing the light-absorption ability of the material.     

三维光子晶体典型结构完全禁带的最佳参数理论分析

基于平面波展开法，理论分析了晶格结构、填充率、介电常数比等因素对fcc，diamond，woodpile三种三维光子晶体典型结构完全禁带的影响.三种结构中，fcc结构由于高对称性导致的能级简并，只适用于密堆积排列的反蛋白石结构；diamond结构非常容易产生高带隙率的完全禁带，并且可以通过调节多项参数得到所需的完全禁带；woodpile结构参数调节范围比较宽，为实验制备带来方便.对于不同的三维光子晶体结构，随着介电常数比的增大，完全禁带的宽度和带隙率也会随着增大.还发现了一些以前未引起注意的现象. 关键词： 三维光子晶体 完全禁带 介电常数比 带隙率 平面波展开法     

Fabrication of 2D–3D photonic crystal heterostructures by glancing angle deposition

We fabricate 2D–3D photonic crystal heterostructures based on the silicon [001]-diamond:1 square spiral geometry using glancing angle deposition. We compare the normal incidence reflection properties of the fabricated 2D–3D heterostructures to simulated spectra generated using finite-difference time-domain calculations. Reflection peaks are observed, resulting from the presence of a photonic band gap, and defect modes are created by the 2D layer. Deterioration of the reflectance peaks with increased number of vertical spiral periods is observed. A series of square spiral structures are fabricated with a varying number of vertical periods to quantify the degradation of reflection peaks. At normal light incidence, a maximum reflection peak is observed from the film with three vertical periods. Beyond three spiral rotations, deterioration of the substrate-plane periodicity causes scattering losses.     

Quantum spin Hall effect in silicene and two-dimensional germanium

We investigate the spin-orbit opened energy gap and the band topology in recently synthesized silicene as well as two-dimensional low-buckled honeycomb structures of germanium using first-principles calculations. We demonstrate that silicene with topologically nontrivial electronic structures can realize the quantum spin Hall effect (QSHE) by exploiting adiabatic continuity and the direct calculation of the Z(2) topological invariant. We predict that the QSHE can be observed in an experimentally accessible low temperature regime in silicene with the spin-orbit band gap of 1.55 meV, much higher than that of graphene. Furthermore, we find that the gap will increase to 2.9 meV under certain pressure strain. Finally, we also study germanium with a similar low-buckled stable structure, and predict that spin-orbit coupling opens a band gap of 23.9 meV, much higher than the liquid nitrogen temperature.