氮掺杂石墨烯纳米结构的等离激元激发（英文）

基于含时密度泛函理论,研究了氮掺杂石墨烯纳米结构的等离激元特性。吡啶型氮掺杂不影响石墨烯纳米结构的等离激元激发特性,而取代型氮掺杂主要基于石墨烯纳米结构对称性的改变和体系中电子密度的增加来影响石墨烯纳米结构的等离激元共振。相对于纯六角石墨烯纳米结构,在低能共振区,取代型氮掺杂六角石墨烯纳米结构的等离激元共振能量发生了红移。相对于纯矩形石墨烯纳米结构,在低能共振区,取代型氮掺杂矩形石墨烯纳米结构沿扶手椅型边界方向激发时,其等离激元共振能量发生了蓝移;沿Z字型边界激发时,其主要的等离激元共振模式受掺杂氮的影响较小。     

一组线性稠环芳香烃的等离激元激发

采用含时密度泛函理论,研究了一组线性稠环芳香烃量子点的等离激元激发.沿着线性稠环芳香烃所在的平面方向,体系中有两个主要的等离激元共振带:一个位于3.9 e V附近;另一个位于16 e V附近.随着线性稠环芳香烃长度的增加,在低能共振区,沿不同方向激发时,体系的吸收峰分别发生了蓝移和红移.此外,与并五苯相比,在低能共振区,一氯并五苯的吸收光谱的吸收峰发生了红移和展宽,其中氯原子位于并五苯的两端时对一氯并五苯等离激元激发影响较大.在低能共振区,线性稠环芳香烃的等离激元共振模式与石墨烯量子点相似.     

二维二元碳化硅纳米结构的等离激元激发

基于含时密度泛函理论,研究两种构型的二维二元碳化硅（SiC）纳米结构的等离激元激发.SiC纳米结构有两个等离激元共振带.由于键长的改变,相对于硅烯纳米结构和石墨烯纳米结构,SiC纳米结构的两个等离激元共振带分别发生蓝移和红移.一种SiC纳米结构的等离激元共振激发依赖于边界的构型和纳米结构形貌;另一种SiC纳米结构的等离激元共振激发对于边界构型和纳米结构形貌的依赖性降低.沿不同方向激发时,等离激元共振特性基本相同.     

三角缺口正三角形纳米结构的共振模式

设计了一个三角缺口三角形破缺纳米结构,它是从正三角形底边切掉一个三角切片所构成.应用离散偶极子近似方法研究了其消光光谱及表面电场分布.结果发现,该破缺纳米结构的消光光谱中出现了具有Fano共振的线形.分析表明,这个Fano共振线形是由绑定与反绑定混合表面等离激元模式相互作用所致.研究了三角缺口三角形纳米结构的结构参数对Fano共振的影响.     

电场诱导氧化石墨烯的极化动力学特性研究

本文通过外加电场改变氧化石墨烯团簇分子的共振能量,利用激光激发氧化石墨烯产生的共振荧光特性测量氧化石墨烯在电场作用下的极化动力学特性. 发现存在外加电场使得荧光共振峰的半高全宽趋于饱和的时间特性,而不同的氧化石墨烯团簇分子的荧光共振峰的暂态特性同时反映了电场对氧化石墨烯产生定向极化和变形极化的动力学特性. 关键词： 氧化石墨烯 团簇分子 电场 极化动力学     

光纤耦合三角形金柱阵列的等离子体共振

为了满足表面等离子体传感器高灵敏度、高线性以及较大测量范围的需求,提出侧边抛磨光纤耦合的三角形纳米金柱阵列等离子体共振传感模型.用有限元法仿真得出侧边抛磨光纤倏逝场激发出三角形纳米金柱的三种等离子体共振模式,分别为传输等离子体、三角形纳米金柱的本征等离子体和柱间等离子体,在传感器透射谱中呈现三个共振波谷.本征等离子体和柱间等离子体均属于局域等离子体,所对应的共振波谷对外界环境折射率的灵敏度较低但具有很高的线性度.传输等离子体对应的波谷随折射率变化灵敏度很高且呈非线性关系,优化后三角形金柱阵列设计中,当折射率为1.38~1.42RIU时,灵敏度高达12 882nm/RIU.该传感结构集成了侧边抛磨光纤的强倏逝场,具有传输等离子体的高灵敏度、局域等离子体的高线性度和大测量动态范围等优点,有重要的研究意义和实用价值.     

Cun-1Au (n=2–10)团簇结构、静态极化率及吸收光谱的第一性原理研究

采用遗传算法, 得到贵金属混合团簇Cu_n-1Au (n=2–10)的稳态结构, 并采用分别基于静态及含时的密度泛函理论的第一性原理方法计算了团簇的静态极化率和吸收光谱. 由于d电子屏蔽效应的增强, 金原子的引入会导致团簇静态极化率的降低, 但立体的构型能减小这种影响. 基于含时密度泛函理论的第一性原理计算得到的吸收光谱指出, 这种屏蔽效应同时导致共振强度的明显下降. d轨道对跃迁贡献的进一步计算, 指出d轨道成分是团簇的光激发中的主要贡献者, 但d电子的屏蔽作用并不会直接导致在激发中d轨道贡献的提升. 针对固定尺寸体系, Cu_6-nAu_n (n=0–6) 团簇的研究进一步论证了此观点. 计算的光谱与实验值能很好地对应, 并且比其他更早的理论计算更为接近实验值. 关键词： 贵金属混合团簇 静态极化率 B3LYP-TDDFT 吸收光谱     

Ar?NO团簇的同步辐射光电离研究

利用国家同步辐射实验室合肥光源的真空紫外同步辐射，使NO分子和Ar原子混合物的超声分子束发生光电离，测量了Ar，NO和异类团簇Ar·NO的光电离效率谱. 在谱中，在与Ar原子的共振线对应的能量区域(11.5—12.0 eV)观察到一个强的类共振结构. 这个结果表明，在异类团簇Ar·NO的内部，稀有气体Ar原子的激发能转移到与它接触的分子NO上，使分子NO发生电离. 关键词： Ar·NO团簇 同步辐射 光电离 能量转移     

金/银纳米颗粒对Eu掺杂薄膜发光特性影响的研究

本文将三种金属纳米颗粒(球形银纳米颗粒、三角形银纳米薄片和三角形金纳米薄片)分别置于Eu(TTFA)3掺杂的Su8薄膜上研究了它们对铕配合物薄膜发光的影响.结果显示,金属纳米颗粒的局域等离子体共振(LSPR)谱对薄膜发光有很好的调控作用.对于LSPR谱分别与铕配合物激发谱和辐射谱重叠较好的球形和三角形两种银颗粒,相比于未放置颗粒时薄膜的发光,放置有颗粒的发光有明显的增强,其中球形银颗粒的样品的发光增强效果更为明显.而对于LSPR谱与铕配合物激发谱和辐射谱都不重叠的三角形片状金颗粒,该颗粒对样品的发光则起到了猝灭作用.     

Ag309团簇升温过程中结构转变的分子动力学模拟研究

采用分子动力学模拟研究了具有面心立方(fcc)晶格结构的截断八面体Ag309团簇升温过程中结构演变.对团簇的能量曲线变化、快照图演变和键对分析表明:无缺陷截断八面体Ag309团簇在410 K时转变为二十面体,在840 K时熔化;不同缺陷诱导二十面体结构转变温度异常变化,沿晶面滑移缺陷使二十面体转变温度升高,沿晶面旋转缺陷使二十面体结构转变温度降低;不同缺陷对团簇键型和势能产生的影响是使二十面体结构转变温度异常变化的主要诱导因素.这种通过缺陷控制团簇结构转变的研究为新型纳米结构的可控制备提供理论基础.     

Calculations of three-dimensional magnetic excitations in permalloy nanostructures with vortex state

Dynamic susceptibility spectra of the vortex state in nanorings and nanodots are studied using three-dimensional micromagnetic simulations. Spatial maps of the susceptibility have enabled identification of various resonance modes. For an exciting field along the x axis, several resonance peaks appear for a thin dot, including a core mode, whereas only one main resonance peak is detected for a ring corresponding to a volume mode with uniform magnetization perpendicular to the exciting field (x direction). A low-frequency resonance peak related to a surface mode and a high-frequency resonance peak viewed as an edge mode are additionally observed for a thick ring. These three resonance modes (surface, volume and edge modes) which correspond to low, intermediate and high-frequency resonance peaks, respectively, are also captured for an exciting field along the y axis. In addition, a mixed edge and volume mode is revealed at a higher frequency.     

Collectivity of plasmon excitations in small sodium clusters with planar structure

The collectivity of the electronic motion in small sodium clusters with planar structure is studied by the time-dependent density functional theory (TDDFT). The formation and development of collective resonances in the absorption spectra were obtained as the function of the size and shape of the plane. We find the symmetry plays an important role in the collective excitation. Resonance peaks increase with the reduction of the symmetries and, on the contrary, resonance peaks decrease with the increase of the symmetries. In the planar cluster, there are two main excitation modes: the higher-energy mode and the competitive mode, which is due to the coupling and competition of the quasi-lower-energy effect and the quasi-higher-energy effect. With the increase of the interatomic distance, peaks of the absorption spectra are all red-shifted and the evolutionary trend is also discussed.     

Dependence of optical properties of monoclinic MnWO4 on the electric field of incident light

Considering the electric field of incident light along four particular directions [100], [110], [011], and [010], the optical properties of monoclinic MnWO₄ were investigated by the first-principle methods. The calculated electronic structures show that the O 2p states and Mn 3d states dominate the top of the valence bands, while the W 5d and Mn 3d states play a key role in the bottom of the conduction bands. The dielectric function and other optical properties, including absorption coefficient, reflectivity spectra, and energy-loss spectra, were calculated and analyzed. The results predicted the maximum static dielectric function when the electric field of incident light was along the [100] direction; meanwhile the absorption edge was calculated to be consistent with the energy band gap and the values and positions of peaks in absorption coefficient are related with the electric field of light. Otherwise, it is found that the appearance of peaks in the energy-loss spectra is also dependent on the electric field and simultaneously corresponds to the edge of absorption spectra and the peaks' position of reflectivity spectra.     

Excitonic optical absorption in semiconductors under intense terahertz radiation

The excitonic optical absorption of GaAs bulk semiconductors under intense terahertz （THz） radiation is investigated numerically. The method of solving initial-value problems, combined with the perfect matched layer technique, is used to calculate the optical susceptibility. In the presence of a driving THz field, in addition to the usual exciton peaks, 2p replica of the dark 2p exciton and even-THz-photon-sidebands of the main exciton resonance emerge in the continuum above the band edge and below the main exciton resonance. Moreover, to understand the shift of the position of the main exciton peak under intense THz radiation, it is necessary to take into consideration both the dynamical Franz-Keldysh effect and ac Stark effect simultaneously. For moderate frequency fields, the main exciton peak decreases and broadens due to the field-induced ionization of the excitons with THz field increasing. However, for high frequency THz fields, the characteristics of the exciton recur even under very strong THz fields, which accords with the recent experimental results qualitatively.     

Quantum Wire with Triangle Cross Section: Optical Properties

In the present work, the optical properties of a GaAs quantum wire with equilateral triangle cross section are studied. For this purpose, we use analytical expressions for optical properties obtained by the compact-density matrix formalism. Here, we investigate the intersubband optical absorption coefficients and refractive index changes as a function of the triangle side (L) and the incident optical intensity (I). According to the obtained results, it is found that: (i) The total refractive index changes increase and shift towards lower energies when the triangle side increases. (ii) The total absorption coefficient decreases as the triangle side increases. Also, the resonance peak shifts towards lower energies by increasing the triangle side.     

Collective magnetoplasma excitations in two-dimensional electron rings

The spectra of magnetoplasma excitations in two-dimensional electron disks and rings are studied by optical detection of resonance microwave absorption. For ring-shaped structures, two types of edge magnetoplasma modes localized along the inner and outer boundaries of the ring are observed. It is shown that the interaction between these modes leads to a strong modification of their magnetic-field dependences as compared to disks. In addition to the longitudinal edge magnetoplasma excitations, transverse plasma modes associated with the electron density oscillations along the ring radius are revealed. The spectra of magnetoplasma excitations are calculated in terms of the electrodynamic theory for both ring-shaped and disk-shaped structures. The classification of all modes of collective magnetoplasma excitations observed in the experiment is performed on the basis of the comparison between experimental and theoretical results.     

柱状磁光颗粒的局域表面等离激元共振及尺寸效应

柱状磁光颗粒的局域表面等离激元共振为二维磁光光子晶体的手征性边缘模的生成提供了重要的机制. 但目前对此类颗粒的局域表面等离激元共振效应的研究局限于长波长近似下的结果, 且缺乏对发生共振时的远场与近场特征的深入了解. 本文从散射理论出发, 计算并分析了柱状磁光颗粒发生局域表面等离激元共振的条件与特殊的场特征, 并讨论了颗粒尺寸对共振峰的影响. 计算结果解释了实验中观察到的二维磁光光子晶体的共振带隙与在长波长近似下得到的局域表面等离激元共振频率的明显偏移, 并展示了颗粒在较大尺寸下形成的高阶共振峰, 这可能有助于利用共振效应在磁光光子晶体中实现多模的手征边缘态.     

Resonant two-magnon Raman scattering and photoexcited States in two-dimensional mott insulators

We investigate the resonant two-magnon Raman scattering in two-dimensional (2D) Mott insulators by using a half-filled 2D Hubbard model in the strong coupling limit. By performing numerical diagonalization calculations for small clusters, we find that the Raman intensity is enhanced when the incoming photon energy is not near the optical absorption edge but well above it, being consistent with experimental data. The absence of resonance near the gap edge is associated with the presence of background spins, while photoexcited states for resonance are found to be characterized by the charge degree of freedom. The resonance mechanism is different from those proposed previously.     

管束穿孔板的管腔耦合共振吸声机理研究

为了揭示管束穿孔板共振吸声结构的吸声机理,利用热黏性条件下基于有限元算法的管束穿孔板仿真模型,研究了平面声波正入射条件下,管束穿孔板内部声场分布特征,并利用阻抗管对吸声系数的理论仿真结果进行了试验验证.结果表明,管束穿孔板在低频主要靠腔体共振吸声,在高频主要靠管共振吸声,管束穿孔板整体呈现出较为明显的管腔耦合共振吸声特征。管束穿孔板共振时管中声强和质点法向振速较大,高频次吸声峰频点处管中和腔中均有驻波形成,频率越高驻波数量越多.管束穿孔板的耦合共振受到管长、腔深、穿孔率和管内径等参数变化的影响,管长对高频耦合共振的影响最大,管长增大使高频主吸声峰频点移向低频,并使相邻主吸声峰之间的间距减小.      

Polarized photoluminescence excitation spectroscopy of single-walled carbon nanotubes

The polarized photoluminescence excitation spectra of twenty-five single-walled carbon nanotube species are reported. For light polarized along the nanotube axis, the main absorption resonance at E22 shows sidebands attributed to phonon assisted absorption. Sidebands to E11 have a diameter dependent energy and are assigned to excited excitonic states. Along with longitudinal excitations, several transverse excitations are identified. The transverse E12 resonance has a specific family pattern with energy close to E22. Comparison with theory provides an estimate of the strength of the Coulomb interaction.