Raman spectroscopy and Fermi resonance in Mn-doped ZnO bulk single crystal

For the first time the bulk oriented single crystals ZnO:Mn are obtained and the polarized Raman spectra are studied at excitation in the visible and near infrared regions. The resonance enhancing of the Raman scattering by Mn-related modes is found at the visible excitation due to the extra optical absorption in ZnO at the addition of Mn. It is shown that the resonance-enhanced overtone of Mn-related silent modes may be responsible for an appearance of anomalous modes of the A₁ symmetry at 500-600 cm⁻¹. A Fermi resonance between the overtone and one-phonon mode is analyzed.     

The infra-red and Raman spectra of ice

This paper has reviewed all of the available work on the infra-red and Raman spectroscopy of hexagonal and cubic ice. It has been shown by the studies of Maisch (1956) and Ockman (1957) that it is not possible to obtain a unique solution to the structure problem of ice by measuring its polarized vibration spectrum. However, Maisch's observation of the constancy of the depolarization ratio across each of the bands in the hydrogen stretching region is a strong argument for a disordered structure.

Satisfactory assignments have only been made for the three bands originating in the fundamental modes of the water molecule and for the six strong bands which can be correlated with the overtone and combination modes of the liquid and vapour spectra. An explicit characterization of the low frequency bands in terms of lattice motions must await a solution to the lattice-dynamical problem as well as a careful study of the low frequency, polarized spectra of single crystals.

The solution to the dynamical problem of the ice lattice should make possible a determination of the crystal anharmonicities. This would then enable one to assign the overtone and combination bands.     

Calculation of interaction of the stretching and bending vibrations of HF in the hydrogen-bonded complex [F(HF)2]?

Vibrations of the [F(HF)₂]^? complex are calculated with allowance for the anharmonic interactions of the stretching vibrations of HF monomers and their rotations about the centers of gravity of HF in the plane of the complex. A four-dimensional vibrational Schr?dinger equation is solved using a potential energy surface calculated in the MP2/6-311++G(3df,3pd) approximation with the superposition of atomic functions of the monomers taken into account. The equilibrium and vibrationally averaged structures of the complex are determined. The frequencies and intensities for spectral transitions from the ground state to a number of excited vibrational states are calculated. It is shown that, due to resonances between the excited states of the stretching modes and doubly excited states of the bending modes, the overtone transitions associated with the bending modes borrow a significant part of the intensity of fundamental stretching transitions.     

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：     

共振拉曼效应和电子-声子耦合对线性多烯分子共振拉曼光谱的影响

线性多烯分子具有高强度且信息丰富的共振拉曼光谱,在生物学、光电材料和医学等方面都有一定应用.而含有共轭双键的短链β胡萝卜素分子是多烯分子中极具有代表性的分子.在激发光作用下π电子与CC键振动相互作用影响着吸收光谱和拉曼光谱,而共振拉曼效应和电子-声子耦合影响着共振拉曼光谱的强度、频率和线型.测量了β胡罗卜素分子在二氯乙...     

Raman study of phase transitions in rare earth vanadates

The phase transitions in DyVO₄ at about 14K and in TbVO₄ at about 33K have been investigated by Raman scattering. The E_g phonons are split below the transition temperature but the singlet phonon modes are not appreciably affected. No soft phonon mode is observed but large changes are seen in the low lying electronic levels. These results appear to be a consequence of a cooperative Jahn-Teller effect.     

On the Raman activity of soft modes in the lower symmetry phase of crystals

It is shown that when a degenerate soft mode of the higher symmetry phase breaks into several modes in the lower symmetry phase, they are always Raman active in case of ferrodistortive transitions but not always Raman active in case of antiferrodistortive transitions.     

Effects of the phase transition in Hg2(Br,I)2 crystals

The effects of the phase transition in Hg₂(Br,I)₂ crystals have been investigated over a wide range of temperatures by the Raman scattering spectroscopy and X-ray diffraction analysis. The overtones (at the X point of the Brillouin zone boundary) and the fundamental tones (at the center of Brillouin zone) of soft modes are found in the Raman spectra of these crystals and studied in detail. The density of one-phonon states of the soft TA branch manifests itself in the Raman spectra of mixed crystals. The potentialities of the soft-mode spectroscopy are realized in full measure. Analysis of the ratio between intensities of overtones and fundamental tones of the soft modes has demonstrated the applicability of the Landau phenomenological theory of phase transitions. The orthorhombic splitting of the reflections corresponding to the basal plane is revealed in the X-ray diffraction patterns and thoroughly explored. The temperature dependences of the isotropic and shear spontaneous strains are obtained. It is shown that the shear spontaneous strain plays a decisive role. The critical indices are determined and the model of the improper ferroelastic phase transition D _4h ¹⁷ → D _2h ¹⁷ in the vicinity of the tricritical point is corroborated.     

Effective coupling constants for beta and gamma transitions in medium and heavy nuclei

Effective coupling constants (g^eff) for favored (but hindered) beta and gamma transitions in medium and heavy nuclei are studied systematically. Experimental g^eff values for the β and γ transitions with parity change are presented, and are analyzed in terms of the susceptibility κ (polarization factor) defined as g^eff=g/(1 + κ). Most of the first forbidden β transitions and E1, M2, M4 gamma transitions are shown to have uniformly g^eff/g=0.2～0.4 and thus κ=3～2. Emphasis is placed upon the problem as to how large the value of susceptibility (or polarizability) due to nuclear spin-isospin core polarization is for the nuclear matter. Theories of the core polarization effects are reviewed, and are shown to predict well the observed susceptibilities κ for the various modes. Discussions are given on higher order effects, couplings with different modes, and mass and multipole dependence in the nuclear core polarization phenomena.     

Raman scattering in Mg2Sn and Mg2Si

The Raman spectra of single crystal Mg₂Sn and Mg₂Si have been studied at room temperature. In Mg₂Sn we observe a single relatively strong line produced by the degenerate Raman active F_2g modes, seen previously by neutron inelastic scattering. Two weaker peaks are seen, one occuring at the F_2g overtone; the assignment for the other is uncertain. In Mg₂Si we find a strong line having a shift comparable to the value calculated by previous workers.     

Static and Dynamic Jahn-Teller Distortions in CMR Manganites: A Raman Spectrometric Study

Jahn-Teller distortions in CMR manganites cause large changes of the scattering efficiencies and line frequencies of various phonon modes in Raman spectra. The effect can be separated from other structural changes, such as variations of the tolerance factor. The Jahn-Teller distortions can be quantitatively correlated with structural distortions as measured from diffraction data. The behaviour of both, static and dynamic distortions has been investigated. It is shown that Raman spectrometry allows to measure variations of the Jahn-Teller distortion on a local scale with a remarkable accuracy.     

手性分子2, 3-丁二醇的旋光拉曼光谱研究

本文从拉曼峰和旋光拉曼峰出发,通过键极化率和微分键极化率分析研究(2R, 3R)-2, 3-丁二醇. 通过分子C₁和C₂两种点群的优化结构,获得不依赖于这两种结构的结果 和有关这个手性系统物理图像的丰富信息.对分子拉曼键极化率分析,得出在拉曼弛豫过程中, 电荷主要从外围流向骨架结构.对分子微分键极化率的分析,显示在不对称C原子和与其相联系的H原子 两侧化学键, C-O和C-CH₃的微分键极化率的符号正好相反,意味着这个分子具有相当好的手性 不对称性质.对比对称和反对称的键极化率、微分键极化率,本文得到这样的结论: 对于(特别是键伸缩的)键极化率,(大体上是)对称的大于反对称的; 而对于微分键极化率则是反对称的大于对称的. 关键词： 旋光拉曼 键极化率 微分键极化率 2,3-丁二醇     

A possible correlation between a Jahn-Teller coupling and a Raman scattering

It has been shown how the Raman line of a degenerate vibration can be caused by a vibronic coupling in a degenerate electronic excited state. Such a vibronic coupling is known to cause a distortion in the equilibrium conformation of the molecule (Jahn-Teller distortion) from the symmetrical conformation, and the Raman scattering tensor is found to be calculated by the use of the amount (δ) of this distortion as an empirical parameter. It has been suggested that some of the Raman lines for the degenerate stretching vibrations, which become stronger with the exciting frequency, in some molecules, are caused by such Jahn-Teller couplings. For the intensity of the Raman line at 887 cm^?1 of the degenerate stretching vibration of chromate anion, a slightly more detailed examination has been made, and the amount of the Jahn-Teller distortion in a $\text{B}\text{?}$ (T₂) electronic state has been estimated to be 0.2₀ Å amu^1/2 along the normal coordinate of this vibration.     

Can multiband coupling effects due to remote bands cause significant normal-incidence absorption inn-type direct-gap semiconductor quantum wells?

Surprisingly, several experiments have reported that normal-incidence light absorption due to inter-conduction-subband transitions in direct-gap semiconductor quantum wells is as strong as in-plane-incidence absorption. In contrast to other models, a recent theoretical study claimed that a 14-bandk  pmodel including multiband coupling terms due toremote-conduction bandsis able to explain the experimental results. In this work, a concise formulation extends the model beyond 14 bands. Nevertheless, after rederiving the optical transition matrix elements, this analysis clearly shows that the oscillator strength for the in-plane polarized optical intersubband transition due to the multiband coupling effects is much smaller than the oscillator strength for the normal-to-plane polarized optical intersubband transition. These results indicate that the multiband coupling effects due to remote-conduction bands cannot cause a sufficient in-plane polarized optical intersubband transition to produce the observed normal-incidence absorption in the desirablen-type III–V compound semiconductor quantum wells.     

Morphic effects — III. Effects of an external magnetic field on the long wavelength optical phonons

The changes in the frequencies of the k ≈ 0 optical vibration modes on the application of a static, external magnetic field to a non-magnetic crystal are determined to first order in the field strength. Second order effects are equivalent to the effects of an electric field in second order and they are not considered here. It is shown that the frequency of a nondegenerate mode is not altered to first order in the magnetic field. In the case of the noncubic crystal structures it is found that the magnetic field must have a component along the axis of highest symmetry in order that the doubly degenerate modes at k ≈ 0 have their degeneracy lifted. In the case of the cubic structures a magnetic field applied in any direction can completely split the degeneracy of modes which are triply degenerate at k ≈ 0. Expressions are given for the field induced changes in the normal mode frequencies. The modes whose frequencies are shifted are found to be right or left circularly polarized. A brief discussion is given of spatial dispersion effects, that is, splitting of the mode degeneracy linear in the phonon wave-vector. Finally, a review of the symmetry aspects of acoustical activity and Faraday effects of acoustical phonons is presented.     

Nonadiabatic eigenvalues and adiabatic matrix elements for all isotopes of diatomic hydrogen

For all bound and quasibound levels of the ground electronic state of all six isotopes of diatomic hydrogen, wavefunctions obtained from the most recent ab initio potentials are used to calculate expectation values of the nuclear kinetic energy, of various powers of R, and of the average polarizability and polarizability anisotropy, together with the off-diagonal matrix elements of the polarizability required for predicting the intensities of Raman transitions for ΔJ = 0, ±2 and Δv = 0, −1, and −2. A scaling procedure for treating the nonadiabatic eigenvalue corrections is developed, which allows an extrapolation beyond results reported for H₂, HD, and D₂ to yield nonadiabatic level shift predictions for the three tritium isotopes. Features of this procedure which take account of implicit centrifugal distortion effects lead to significant improvements in the agreement between theory and experiment.     

Spectroscopy of phonon and vibronic states of YbAl3(BO3)4 single crystal

The polarized Raman and reflection spectra of a single crystal YbAl₃(BO₃)₄ at room temperature were studied. Raman active vibrational modes A ₁, E _TO, and E _LO are identified. In the Raman spectrum, we detected an intense line at a frequency of 1018 cm⁻¹, which refers to internal vibrations of the BO₃ group and is known to be promising for use in amplifiers based on stimulated Raman scattering. From the simulation of reflection spectra by the method of dispersion analysis the frequencies of A ₂ vibrational modes were determined. Intense bands observed in the low-temperature transmission spectra in the range of f-f transitions in the Yb³⁺ ion are attributed to electron-phonon transitions. The Raman lines are compared with electron-phonon lines in the transmission spectrum.     

Strain induced phase separation on La0.5Ca0.5MnO3 thin films

The effect of epitaxial strain on La_0.5Ca_0.5MnO₃ films of various thicknesses grown on SrTiO₃, SrLaAlO₄, and SrLaGaO₄ substrates is studied by Raman spectroscopy, magnetic, and resistivity measurements. The transport and magnetic properties as well as Raman spectra of the films are affected by epitaxial strains. The energy of the A_g(2) mode and the tilting angle of the MnO₆ octahedra is affected by the strain imposed by the substrate. In the spectra of the films deposited on the (1 0 0) SrTiO₃ substrate strong Jahn-Teller (JT) modes appear, which couple with charge-ordering. In all other films these modes are suppressed and no additional Raman lines are present at low temperatures contrary to the bulk compound. The low frequency continuum scattering decreases at low temperatures indicating a coupling with both the charge and orbital transitions. Comparison of the Raman spectra with the magneto-transport properties suggests an interpretation in terms of a strain induced phase separation between ferromagnetic metallic and antiferromagnetic insulating states.     

The role of interdiffusion and spatial confinement in the formation of resonant raman spectra of Ge/Si(100) heterostructures with quantum-dot arrays

The phonon modes of self-assembled Ge/Si quantum dots grown by molecular-beam epitaxy in an apparatus integrated with a chamber of the scanning tunneling microscope into a single high-vacuum system are investigated using Raman spectroscopy. It is revealed that the Ge-Ge and Si-Ge vibrational modes are considerably enhanced upon excitation of excitons between the valence band Λ₃ and the conduction band Λ₁ (the E ₁ and E ₁ + Δ₁ transitions). This makes it possible to observe the Raman spectrum of very small amounts of germanium, such as one layer of quantum dots with a germanium layer thickness of ≈10 Å. The enhancement of these modes suggests a strong electron-phonon interaction of the vibrational modes with the E ₁ and E ₁ + Δ₁ excitons in the quantum dot. It is demonstrated that the frequency of the Ge-Ge mode decreases by 10 cm^?1 with a decrease in the thickness of the Ge layer from 10 to 6 Å due to the spatial-confinement effect. The optimum thickness of the Ge layer for which the size dispersion of quantum dots is minimum is determined.     

Pressure and temperature dependences of the dielectric constant,Raman spectra and lattice constant of SnI42

The pressure and temperature dependences of the Raman frequencies, static dielectric constant and lattice constant of the molecular crystal SnI₄, were investigated. These results are combined to evaluate the pure volume and pure temperature (i.e. volume-independent) dependences of the molecular polarizability and of the Raman-active phonon self-energies. The pressure results also allow the separation of the Raman modes into external and internal modes of the crystal; the external modes exhibit a much stronger pressure dependence, and thereby larger Grüneisen parameters, than do the internal modes. The Raman frequencies increase (decrease) with increasing pressure (temperature) whereas the dielectric constant increases with both increasing pressure and temperature, emphasizing the importance of non-volume effects. In fact, it is found that the isobaric temperature dependence of the dielectric constant is dominated by the pure temperature dependence of the molecular polarizability. The pure volume dependence of the polarizability, on the other hand, is relatively small as is perhaps typical of most molecular crystals.