用拉曼散射光谱估算纳米Ge晶粒平均尺寸

用射频共溅射技术和真空退火方法制备了埋入ＳｉＯ２基底中的纳米Ｇｅ复合膜（ｎｃ－Ｇｅ／ＳｉＯ２）测量了不同温度退火后该复合膜的拉曼散射光谱，其结果与晶体Ｇｅ的拉曼谱相比，纳米Ｇｅ的拉曼峰红移峰形变宽，用拉曼谱的参数计算了纳米Ｇｅ晶粒的平均尺寸，所得结果与声子限域理论模型符合。     

Interplay between phonon confinement effect and anharmonicity in silicon nanowires

Getting light out of silicon is a difficult task since the bulk silicon has an indirect energy electronic band gap structure. It is expected that this problem can be circumvented by silicon nanostructuring, since the quantum confinement effect may cause the increase of the silicon band gap and shift the photoluminescence into the visible energy range. The increase in resulting structural disorder also causes the phonon confinement effect, which can be analyzed with a Raman spectroscopy. The large phonon softening and broadening, observed in silicon nanowires, are compared with calculated spectra obtained by taking into account the anharmonicity, which is incorporated through the three and four phonon decay processes into Raman scattering cross-section. This analysis clearly shows that the strong shift and broadening of the Raman peak are dominated by the anharmonic effects originating from the laser heating, while confinement plays a secondary role.     

纳米Ge颗粒镶嵌薄膜的Raman散射光谱研究

研究了镶嵌在ＳｉＯ_２介质中的不同尺寸（４—１６ｎｍ）纳米Ｇｅ颗粒的Ｒａｍａｎ散射谱特征，与大块标准Ｇｅ晶体的散射峰相比，观察到了理论预期的纳米半导体粒子的Ｒａｍａｎ散射峰的宽化和红移现象．采用声子限域模型较好地解释了实验结果．探讨了ＳｉＯ_２介质基体作用于镶嵌Ｇｅ粒子的压应力以及纳米Ｇｅ粒子的表面界面效应对Ｒａｍａｎ散射光谱的峰形、峰位变化所产生的影响 关键词：     

纳米晶锐钛矿相TiO2的非简谐效应和声子局域

对晶粒尺寸为194,86和56nm的纳米晶锐钛矿相TiO₂,进行了从83到723K的变温拉曼散射测量,并对E_g(1)模式进行了详细研究.根据非简谐效应和声子局域模型,对E_g(1)拉曼峰进行了拟合与计算.结果表明,以上三种纳米晶粒的晶格振动机理,在本质上是相同的.三声子过程对频率蓝移起主要作用.为了得到很好的拟合,需要同时考虑三声子和四声子过程.随着温度的升高,四声子过程增强,并对三声子过程起抵消作用.与非简谐衰减相关的声子寿命随着晶粒 关键词： 2')" href="#">纳米晶TiO₂ 拉曼散射 非简谐耦合 声子局域     

n-SiC拉曼散射光谱的温度特性

测量了采用离子注入法得到掺N的n-SiC晶体从100—450 K的拉曼光谱. 研究了SiC一级拉曼谱、电子拉曼散射谱及二级拉曼谱的温度效应. 实验结果表明,大部分SiC一级拉曼峰会随温度升高向低波数方向移动,但声学模红移(峰值位置向低频方向移动)的幅度较光学模小. 重掺杂4H-SiC的纵光学声子等离子体激元耦合(LOPC)模频率随温度升高表现出先蓝移(峰值位置向高频方向移动)后红移的变化趋势,表明LOPC模的温度特性不仅会受到非简谐效应的影响,还与实际已离化杂质浓度有关. 电子拉曼散射峰线宽随温度升高而增 关键词： 碳化硅 温度 纵光学声子等离子体激元耦合模 电子拉曼散射     

Raman scattering in impurity-induced anharmonic crystals

The theory of first-, second-, and third-order Raman scattering is investigated for isotopically disordered anharmonic crystals. The theory of time-dependent thermodynamic Zubarev Green's functions is adopted to obtain the Raman tensor, intensity of Raman lines, and differential cross sections of various orders of scatterings. It is observed that each class of scattering can be separated into diagonal and nondiagonal parts. The first-order and nondiagonal parts are absent in the case of chemically pure crystals. The diagonal parts are separated into anharmonic and interference terms. The interference terms arise due to the interactions of anharmonic phonons with the local phonons. The temperature and defect dependencies are discussed in detail along with the nature of continuous and line spectra. It is proposed that very high-power laser sources will reveal the third-order spectra, and that the resulting structure can be explained with the help of temperature-dependent one-, two-, and three-phonon density of states.     

一种基于荧光材料的聚合物白光发光二极管

制备了一种基于荧光聚合物共混的单发光层聚合物白光发光二极管.器件结构为铟锡氧化物/苯磺酸掺杂聚乙烯基二氧噻吩/发光层/ 1,3,5-三(N-苯基-2-苯并咪唑-2)苯41/Ba/Al,蓝光材料芴-氟化喹喔啉共聚物(PF-BPFQ5)、绿光材料苯基取代的聚对苯乙炔(P-PPV)和红光材料聚(2-甲氧基-5-(2′-乙基己氧基)-1,4-对苯乙炔)(MEH-PPV)共混为发光层.当PF-BPFQ5,P-PPV,MEH-PPV的质量比例为100∶06∶06时,获得标准的白光,色坐标为（033 关键词： 聚合物发光二极管 白光 共混     

Theoretical interpretation of the vibrational spectrum of bicyclo[1.1.0]butane in terms of an ab initio anharmonic model

The anharmonic vibrational IR and Raman spectra of the bicyclo[1.1.0]butane molecule have been calculated in the range of up to 4000 cm^?1 using a numerical and analytical realization of the van Vleck second-order operator perturbation theory. Cubic and quartic force constants in normal coordinates, as well as cubic surfaces of the dipole moment and polarizability, have been found by numerical differentiation of the corresponding first and second derivatives calculated by the MP2/cc-pVTZ quantum-mechanical method. In order to increase the prediction accuracy of vibrational transitions, corresponding harmonic frequencies have been obtained by the CCSD(T)/cc-pVTZ high-precision quantum mechanical method. The anharmonic intensities of the IR and Raman spectra have been calculated using canonical transformations of the operators of the dipole moment and polarizability expanded into a Taylor series around the equilibrium configuration. The assignment of experimental vibrational bands in the IR and Raman spectra has been analyzed. It has been shown that the anharmonic calculation based on the above-described procedure of combining more exact harmonic frequencies with the anharmonic force field obtained with a more economical method makes possible the reliable interpretation of the majority of spectral bands, including Fermi and Darling-Dennison resonances.     

Integrated spectral and spatial information extraction in Raman spectroscopy

Raman spectroscopy has been widely used to analyze various substances quantitatively. Conventional studies are primarily focused on the spectral characteristics of Raman scattering. The spatial distribution is always ignored, which can be used to observe the physical properties, such as the particle size. In this article, the spatial information has been extracted from the Raman spectra of barium nitrate, demonstrating that the evident spatial width broadening varied with the particle size. The numerical result shows that the spatial width has a better linear correlation with the particle size, while the Raman intensity has a poor linear correlation. The integrated spectral and spatial information extracted in Raman spectroscopy has a potential application in the quantitative analysis of physical properties.     

Second-order Raman spectra of CsCl single crystals

The second-order Raman spectra of CsCl single crystals have been measured at room temperature for different Raman polarizations and crystal orientations. With the help of the calculated selection rules for a CsCl-type lattice, observed nineteen peaks and shoulders were assigned by the critical point analysis based on the neutron scattering data. By comparing the observed Raman intensities with the thermally weighted two-phonon density-of-states calculated by using a simple shell model, it has turned out that though the measured spectra are dominantly determined by the two-phonon density-of-states, the effect of the q-dependence of the polarizability cannot entirely be neglected.     

GaAs/AlAs超晶格的近共振喇曼散射研究

本文介绍GaAs/AlAs超晶格的室温近共振喇曼散射测量结果。由于超晶格中Fr?hlich相互作用的共振增强效应,GaAs LO声子偶模的散射得到了很大的增强。和前人的结果一样,在偏振谱我们观察到了偶模。但和前人的结果不同,在退偏振谱中我们观察到的是奇模,而不是偶模。从而证明了在近共振条件下LO声子限制模仍遵从与非共振时一样的选择定则。二级喇曼散射实验结果表明,在偏振谱中二级谱是由两个偶模组合而成,而在退偏振谱中的二级谱与前人的结果不同,由一个奇模与一个偶模组合而成。上述结果与最近提出的黄朱模型的预言是一 关键词：     

Spectra of second-order Raman scattering in porous silicon

Spectra of second-order Raman scattering in porous silicon are investigated. A band shift towards lower energies in second-order spectra is observed, as well as the correlation between the values of band shift in first-and second-order spectra. It is demonstrated that the observed effect cannot be interpreted using the conventional concepts of the mechanisms of scattering in microcrystalline samples. An interpretation of the revealed effect is suggested.     

Investigation of halloysite nanotubes with deposited silver nanoparticles by methods of optical spectroscopy

Halloysite nanotube composites covered by silver nanoparticles with the average diameters of 5 nm and 9 nm have been studied by methods of optical spectroscopy of reflectance/transmittance and Raman spectroscopy. It has been established that silver significantly increases the light absorption by nanocomposites in the range of 300 to 700 nm with a maximum near 400 nm, especially for the samples with the nanoparticle size of 9 nm, which is explained by plasmonic effects. The optical absorption increases also in the long-wavelength spectral range, which seems to be due to the localized electronic states in an alumosilicate halloysite matrix after deposition of nanoparticles. Raman spectra of nanocomposites reveal intense scattering peaks at the local phonons, whose intensities are maxima for the samples with the silver nanoparticle sizes of 9 nm, which can be caused by plasmonic enhancement of the light scattering efficiency. The results show the ability to use halloysite nanotube nanocomposites in photonics and biomedicine.     

Low frequency Raman scattering of anatase titanium dioxide nanocrystals

TiO₂ nanoparticle of size 7.8 nm are synthesized by wet chemical route and characterized by low-frequency Raman scattering (LFRS), transmission electron microscopy (TEM) and X-ray diffraction. The low frequency peaks in the Raman spectra have been explained using the Lamb's theory that predicts the vibrational frequencies of a homogeneous elastic body of spherical shape. Our results show that the observed low-frequency Raman scattering originates from the spherical (l=0) and quadrupolar vibrations (l=2) of the spheriodal mode due to the confinement of acoustic vibrations in TiO₂ nanoparticles. In addition to the low-frequency peak due to the vibrational quadrupolar and spheriodal modes, a band is also observed, which is assigned to the Raman forbidden torsional l=2 mode originating from the near spherical shape of the TiO₂ nanoparticles. The size distribution is also obtained from LFRS, which is in good agreement with TEM.     

2,3-二氯吡嗪的红外、拉曼光谱和密度泛函研究

应用KBr压片法、熔融法分别测定了2,3-二氯吡嗪(2,3-DCP)结晶相和液相下400～4 000 cm-1范围内的傅里叶变换红外光谱(FTIR),及其600～4 000 cm-1内的傅里叶变换拉曼光谱(FT-Raman)。采用密度泛函(DFT)理论之B3LYP方法在6-311++G(2df,2pd)基组水平上优化了该分子的平衡几何结构,基于此结构应用谐性力场计算获得了2,3-DCP的振动频率、红外强度和拉曼活性并进一步计算了直到四阶的非谐性力场,将该力场带入标准旋振哈密顿量并利用二阶微扰理论获得了更加准确的振动频率,相应的红外、拉曼光谱。通过非谐力场获得的振动频率位置结合谐性强度与实验结果比对,对2,3-DCP的各振动带进行了详细指认,采用简正坐标分析方法得到各振动频率的势能分布(PED),首次对2,3-DCP的振动光谱进行了全面归属。结果同时显示：考虑非谐性效应后的理论结果大大提高了振动频率的预测性,用其获得的振动频率能很好的再现实验基频,其与实验值差异大多保持在10 cm-1以下,即使在谐振预期很差的高频区域,考虑非谐效应后这种差异也迅速降低到19 cm-1以下,这对正确归属和预期振动光谱是十分有帮助的。目前的结论也可推广应用到其他分子体系。     

ZnO晶体的偏振拉曼散射的深入研究

利用拉曼选择定则,设计了ZnO单晶的直角偏振几何配置。在室温下测量了ZnO单晶的各种振动模式的偏振拉曼散射光谱。与原先的文献相比较,初步讨论了各种振动模式的线宽和强度的变化原因。除ZnO晶体中包括非极性和极性拉曼基频振动,准横光学和准纵光学模式和振动属性被指认外,它们的高阶拉曼散射模式首先被确定。本研究结果为深入了解ZnO晶体和薄膜的宏观性质和微观结构提供了依据。     

The Raman effect in crystals

A review is given of progress in the theoretical and experimental study of the Raman effect in crystals during the past ten years. Attention is given to the theory of those properties of long-wavelength lattice vibrations in both cubic and uniaxial crystals which can be studied by Raman scattering. In particular the phenomena observed in the Raman scattering from crystals which lack a centre of inversion are related to the theory. The angular variations of the scattering by any type of lattice vibration in a crystal having any symmetry can be easily calculated using a complete tabulation of the Raman tensor. Recent measurements of first-order lattice vibration spectra are listed. A discussion of Brillouin scattering is included. The relation of second-order Raman spectra to critical points in the lattice vibration density of states is discussed, and measurements of the second-order spectra of diamond and the alkali halides are reviewed. The theory and experimental results for Raman scattering by electronic levels of ions in crystals are examined, and proposals for Raman scattering by spin waves, electronic excitations across the superconductive gap and by plasmons are collected together. Finally, the prospects for applying lasers as sources for Raman spectroscopy are discussed, and progress in the new technique of stimulated Raman scattering is reviewed.     

Raman scattering and optical absorption in S2N2 and partially polymerized S2N2 films

Raman scattering and optical absorption measurements between 0.5 and 5.0 eV on crystalline films of S₂N₂ and partly polymerized S₂N₂ have been made for the first time. The Raman active molecular and librational phonons have been observed and assigned. The Raman spectra of partly polymerized S₂N₂ show the appearance of weak scattering at 635 cm⁻¹ and appreciable broadening of the librational phonon peaks. Optical absorption maxima occur at 4.0 and 4.7 eV in pure S₂N₂ at 14 K, while absorptions at 0.86, 1.1 and 4 eV evolve with increasing polymerization.     

Single‐molecule detection of thionine on aggregated gold nanoparticles by surface enhanced Raman scattering

We report observations of single‐molecule detection of thionine and its dynamic interactions on aggregated gold nanoparticle clusters using surface enhanced Raman scattering (SERS). Spectral intensities were found to be independent of the size of Au nanoparticles studied (from 17 to 80 nm) at thionine concentration below 10⁻¹² M or at single‐molecule concentration levels. Raman line separations and, in particular, spectral fluctuations and blinking were also observed, suggesting temporal changes in single molecular motion and/or arrangements of thionine on Au nanoparticle surfaces. In contrast, by using dispersed Au nanoparticles, only ensemble SERS spectra could be observed at relatively high concentrations (> 10⁻⁸ M thionine), and spectral intensities varied with the size of Au nanoparticles. Copyright © 2007 John Wiley & Sons, Ltd.