量子棒及其异质结的超低频拉曼光谱及有限元分析

硫族化镉纳米微晶由于具有发光效率高和发射波长可调谐等优良性质在光电器件中有重要的应用,CdSe/CdS点-棒异质结量子点是典型代表之一。本文中通过非共振拉曼方法探测了该量子点在5~50cm-1的声学声子模,利用不同模式的偏振特性,清晰地指认了球状核壳异质结量子点的扭转模式和径向呼吸模、棒状和点-棒异质结量子点的伸缩模和径向呼吸模等,并观察到了棒状量子点和点-棒异质结量子点的电子拉曼散射。同时发现点-棒异质结量子点的径向呼吸模较尺寸相当的纳米棒量子点发生红移。利用有限元方法形象模拟各量子点声学模的振动形式,并发现点-棒异质结量子点呼吸模振动的局域性。随后,引入局域有效声速的概念,利用改进的Lamb定律,成功解释了该红移是由CdSe核区域声速的减小所导致的,并再次验证该呼吸模局域在核附近区域。该研究对于表征和研究量子点中的限制性声学模具有重要意义,声学模和光学跃迁均局域在量子点附近区域的特性,对调控其激子-声子耦合和相关的光学性质具有重要指导意义。     

径向复合圆柱压电超声换能器

提出一种三元径向复合圆柱压电超声换能器,并对其径向振动特性进行了研究。基于弹性力学理论及机电类比原理,导出了柱坐标系中分割处理径向极化压电陶瓷管准厚度模振动及薄壁短圆管径向振动的机电等效电路;利用径向力和振速连续的边界条件,得出了径向复合圆柱压电换能器系统的径向振动机电等效电路及其共振频率方程。探讨了换能器径向共振频率及有效机电耦合系数随其几何尺寸的变化关系。研究表明,换能器的径向共振频率及有效机电耦合系数随其内芯半径和预应力管壁厚度增大而降低。研制了一些径向复合圆柱压电换能器,并对其径向共振频率进行了测试。结果表明,理论与实验结果基本一致。      

弹性薄圆环的超声频径向振动及其等效电路研究

对各向同性弹性薄圆环的径向振动进行了研究,得出了其等效电路。在此基础上,推出了其径向振动的频率方程以及振子的共振频率的表达式,利用数值法得出了不同材料弹性薄圆环径向振动频率方程的一系列根。经过拟合,得出了频率方程的根与振子材料的泊松系数的拟合关系曲线,从而大大方便了径向振动薄圆环的工程设计及计算。     

基于传输矩阵法的任意变厚度环型压电超声换能器

变厚度环型径向振动压电超声换能器可以实现阻抗变换、能量集中,具有辐射面积大、全指向性等优点,在功率超声、水声等领域被广泛应用.由于求解复杂变厚度金属圆环径向振动的波动方程比较困难,本文使用传输矩阵法将变厚度金属圆环的径向振动转化为N个等厚度金属圆环径向振动的叠加,得到了任意变厚度金属薄圆环径向振动的等效电路图、共振频率方程和位移放大系数表达式,分析了锥型、幂函数型、指数型、悬链线型金属圆环的位移放大系数与几何尺寸的关系.在此基础上,推导了由任意变厚度金属圆环和等厚度压电圆环复合而成的压电超声换能器径向振动的等效电路和共振频率方程.为了验证理论结果的正确性,使用有限元软件进行仿真,所得一阶、二阶的共振频率和位移放大系数的数值解与理论解符合较好.本研究给出了任意变厚度金属圆环径向振动的普适解,为设计和优化径向压电超声换能器提供了理论指导.     

压电陶瓷复合换能器固有频率的有限差分法*

为丰富换能器固有频率的研究理论，以及提供一种新的计算方法供工程人员选择，提出了计算其固有频率的有限差分法。以由径向极化的压电陶瓷圆管与金属预应力管沿径向复合而成的二元压电陶瓷复合换能器为例，建立并推导了其向振动的数学模型及其有限差分形式，给出了换能器径向振动的特征方程。利用MTALAB对计算实例的径向振动的固有频率进行编程计算，理论计算结果与已有实验结果符合很好，验证了有限差分法计算压电陶瓷复合换能器固有频率的可行性及准确性。通过仿真计算，给出了换能器径向振动固有频率与其结构尺寸的影响关系：换能器径向振动的固有频率随压电陶瓷圆管内径的增大而降低，随换能器壁厚比的增大而降低。该文所建立的换能器径向振动固有频率的有限差分法同样适用于结构形式相近的换能器及其他元器件。     

超声场中气泡的耦合运动

超声场中气泡除径向振动外,还可能会平动并且相互影响.本文以考虑邻近气泡次级声辐射影响后的球形气泡径向振动模型为基础,结合气泡在声场中受到的力,利用数值方法研究了平面波声场中不同尺寸的两气泡径向振动和平动规律.发现尺寸较大气泡的径向振动具有一定的本征性特征且具有较大平动位移.利用高速摄影系统定性地观察了气泡运动和泡群分布...     

径向复合压电陶瓷超声换能器的径向振动特性研究

对径向复合压电陶瓷超声换能器的径向振动特性进行了分析。该换能器由一个厚度极化的压电陶瓷实心圆盘和一个金属圆环在半径方向复合而成。论文首先研究了压电陶瓷圆盘及金属圆环的径向振动,推出了其径向振动的机电等效电路。在此基础上,利用换能器的径向边界条件,得出了径向复合压电陶瓷换能器的机电等效电路及其共振频率方程。探讨了换能器的共振频率和有效机电耦合系数与其几何尺寸之间的依赖关系。设计并实际制作了一些径向复合超声换能器,对其径向共振及反共振频率进行了测试,并利用有限元法进行了数值模拟。研究表明,利用文中理论得出的换能器的共振频率与实测值及数值模拟结果基本符合。     

单壁碳纳米管的SERS研究

本文通过改进实验方法,将单壁碳纳米管的乙醇溶液与金胶混合并制作成固体薄膜,使单壁碳纳米管夹裹在金纳米粒子之间,保证了吸附的紧密性,获得了高质量的单壁碳纳米管SERS光谱。不但观测到文献中报道的径向呼吸振动模(RBM)和C-C正切拉伸模(GM)的增强,还在1100-1500cm-1区域观测到一组新峰,其峰形完整并有相当的强度。这些峰在现有的文献中几乎没有报导。文章对这组新峰的出现进行了初步的分析。     

利用Tracker软件研究有摆线弹簧摆内共振现象

利用Tracker软件追踪和分析了有摆线弹簧摆的内共振现象,实时描绘了内共振的振动位移图、相图、轨迹图和能量图,实验表明起振角对径向振动能有较大影响,摆线可以取代部分等长弹簧实现内共振,拟合计算的径向和横向振动的固有频率与理论结果一致。     

阶梯圆环压电超声换能器径向振动性能的理论研究*

提出了一种阶梯圆环径向振动压电超声换能器,根据力电类比原理建立了阶梯圆环及阶梯圆环换能器的径向振动等效电路,推导了阶梯圆环的径向共振频率方程和位移放大系数,在此基础上进一步推导了换能器的径向共振和反共振频率方程。通过理论推导和有限元仿真模拟分析了阶梯圆环压电超声换能器的径向振动性能。结果表明,增大阶梯圆环中内外环的径向厚度之比K1或减小轴向厚度之比K2,阶梯圆环的一阶径向共振频率减小,二阶径向共振频率增大;在二阶径向共振模式下,K1、K2值在一定范围内阶梯圆环可实现由内向外的径向位移振幅放大;随着压电陶瓷圆环的内半径增大,阶梯圆环压电超声换能器的一阶、二阶径向共振和反共振频率减小,二阶径向共振下的有效机电转换系数趋于零;增大阶梯圆环内环的外半径,换能器的一阶径向共振和反共振频率减小,二阶径向共振和反共振频率先增大后减小,理论推导与仿真模拟结果符合良好。本文研究结果为阶梯圆环压电超声换能器的工程应用提供理论参考。     

利用径向呼吸模及其倍频模的共振特性精确测定单壁碳纳米管的电子跃迁能量

提出一个根据拉曼基频模及其倍频模的斯托克斯和反斯托克斯拉曼成分的不同共振行为来探测样品与激光共振的系统能级的方法.此方法被应用到不均匀单壁碳纳米管束样品中某一径向呼吸模频率为219波数的金属型碳纳米管.通过分析呼吸模及其倍频模和切向模的共振行为,获得了该碳纳米管的电子跃迁能量,并获得纳米管C-C最近邻重叠积分因子为2.80 eV.此数值可以很好的解释单壁碳纳米管径向呼吸模的共振行为. 关键词： 单壁碳纳米管 呼吸模 共振拉曼散射 电子跃迁能     

以Y/Ni为催化剂制备的单壁碳纳米管的拉曼光谱研究

采用电弧放电法以Y/Ni为催化制备了单壁碳纳米管（SWNTs），对样品进行了扫描电镜、透射电镜和拉曼光谱的研究。所制备的样品中单壁碳纳米管的含量较高。对单壁碳纳米管的共振拉曼散射增强效应进行了观察，随激光波长的不同，单壁碳纳米管的拉曼光谱也随之变化，尤其是低频区径向呼吸模的变化比较明显。利用布里渊区折叠法计算了单壁碳纳米管的电子态密度曲线，根据SWNTs电子态密度尖峰之间的能量差、管子的直径和呼吸模频率建立了一个图表，并对SWNTs的呼吸模进行了归属。分析结果表明：样品中单壁碳纳米管的直径分布在0.79-1.76nm范围，金属管和半导体管均存在，并且直径在1.45nm附近的碳管居多。     

Phonon and thermal properties of achiral single wall carbon nanotubes

A detailed theoretical study of the phonon and thermal properties of achiral single wall carbon nanotubes has been carried out using force constant model considering up to third nearest-neighbor interactions. We have calculated the phonon dispersions, density of states, radial breathing modes (RBM) and the specific heats for various zigzag and armchair nanotubes, with radii ranging from 2.8 Å to 11.0 Å. A comparative study of phonon spectrum with measured Raman data reveals that the number of Raman active modes for a tube does not depend on the number of atoms present in the unit cell but on its chirality. Calculated phonon modes at the zone center more or less accurately predicted the Raman active modes. The radial breathing mode is of particular interest as for a specific radius of a nanotube it is found to be independent of its chirality. We have also calculated the variation of RBM and G-band modes for tubes of different radii. RBM shows an inverse dependence on the radius of the tube. Finally, the values of specific heat are calculated for various nanotubes at room temperature and it was found that the specific heat shows an exponential dependence on the diameter of the tube.     

Phonon spectrum and interaction between nanotubes in single-walled carbon nanotube bundles at high pressures and temperatures

The Raman spectra of single-walled carbon nanotubes at temperatures up to 730 K and pressures up to 7 GPa have been measured. The behavior of phonon modes and the interaction between nanotubes in bundles have been studied. It has been found that the temperature shift of the vibrational G mode is completely reversible, whereas the temperature shift of radial breathing modes is partially irreversible and the softening of the modes and narrowing of phonon bands are observed. The temperature shift and softening of radial breathing modes are also observed when samples are irradiated by laser radiation with a power density of 6.5 kW/mm². The dependence of the relative frequency Ω/Ω₀ for G ⁺ and G ^? phonon modes on the relative change A ₀/A in the triangular lattice constant of bundles of nanotubes calculated using the thermal expansion coefficient and compressibility coefficient of nanotube bundles shows that the temperature shift of the G mode is determined by the softening of the C-C bond in nanotubes. An increase in the equilibrium distances between nanotubes at the breaking of random covalent C-C bonds between nanotubes in bundles of nanotubes is in my opinion the main reason for the softening of the radial breathing modes.     

Direct observation of confined acoustic phonons in the photoluminescence spectra of a single CdSe-CdS-ZnS core-shell-shell nanocrystal

We report on the direct observation of confined acoustic phonons in the photoluminescence spectra of single CdSe-CdS-ZnS nanocrystals, whose ligands were exchanged to poly(ethylene oxide) (PEO) before they were embedded in a PEO matrix. Modeling a nanocrystal as an elastic sphere, the confined acoustic modes can be assigned to purely radial vibrations: the breathing mode and its two first radial harmonics. In addition to acoustic modes, we also observe longitudinal optical modes of the core material and, remarkably, also of both shell materials.     

Modeling and simulation of vibrational breathing-like modes in individual multiwalled carbon nanotubes

We study the collective vibrational breathing modes in the Raman spectrum of multiwalled carbon nanotubes (MCNTs). First, a bond polarization theory and the spectral moment's method (SMM) are used to calculate the non-resonant Raman frequencies of the breathing-like modes (BLMs) and the tangential-like ones (TLMs). Second, the Raman active modes of MCNTs are computed for different diameters and numbers of layers. The obtained low frequency modes in MCNTs can be identified to each single-walled carbon nanotubes. These modes that originate from the radial breathing ones of the individual walls are strongly coupled through the concentric tube–tube van der Waals interaction. The calculated BLMs in the low-frequency region are compared with the experimental Raman data obtained from other studies. Finally, special attention is given to the comparison with Raman data on MCNTs composed of six layers.     

Raman modes of index-identified freestanding single-walled carbon nanotubes

Using electron diffraction on freestanding single-walled carbon nanotubes, we have determined the structural indices (n,m) of tubes in the diameter range from 1.4 to 3 nm. On the same freestanding tubes, we have recorded Raman spectra of the tangential modes and the radial breathing mode. For the smaller diameters (1.4-1.7 nm), these measurements confirm previously established radial breathing mode frequency versus diameter relations and would be consistent with the theoretically predicted proportionality to the inverse diameter. However, for extending the relation to larger diameters, either a yet unexplained environmental constant has to be assumed, or the linear relation has to be abandoned.     

A symmetry-adapted force-constant lattice-dynamical model for single-walled carbon nanotubes

We develop a lattice-dynamical model based on the screw symmetry of single-walled carbon nanotubes that allows for reducing the size of the dynamical matrix to six, for all tube chiralities. The model uses force constants derived from fitting to the phonon dispersion of 2D graphite. We present the calculation procedure in a clear and transparent way, making the model easier to follow. We calculate the phonon dispersions of a number of nanotubes of different chiralities. The splitting of two highest Raman active modes and the radial breathing mode frequency are studied by changing the tube diameter and chirality.     

Continuum model for low-frequency phonons of boron nitride nanotubes

A continuum model is employed to calculate the low-frequency phonons of boron nitride nanotubes. We find an excellent agreement of the optically active modes calculated within this approach and those from more elaborate calculations within an energy and wavelength window that can be established beforehand, from the choice of the bulk input parameters. We verify that this model describes correctly the dependence of radial breathing mode with the radius, the existence of parabolic modes at small wavevectors, and other general characteristics of the dispersion relations of these systems.     

Local pressure-induced metallization of a semiconducting carbon nanotube in a crossed junction

The electronic and vibrational density of states of a semiconducting carbon nanotube in a crossed junction was investigated by elastic and inelastic scanning tunneling spectroscopy. The strong radial compression of the nanotube at the junction induces local metallization spatially confined to a few nanometers. The local electronic modifications are correlated with the observed changes in the radial breathing and G band phonon modes, which react very sensitively to local mechanical deformation. In addition, the experiments reveal the crucial contribution of the image charges to the contact potential at nanotube-metal interfaces.