Polaritons and optical phonon assignment in orthorhombic HCOOLi·H2O crystal by Raman scattering measurement

Optical phonon modes of orthorhombic HCOOLi·H₂O crystal are investigated by laser Raman scattering technique. An A₁ mode polariton with energy between 1250 cm^-1 and 1343 cm^-1 is observed by near-forward Raman scattering using Ar laser.     

新型激光晶体Yb:KY(WO4)2的结构与光谱

采用顶部籽晶提拉法，以K₂W₂O₇为助溶剂，生长了Yb:KY(WO₄)₂新型激光晶体.经热重-差热分析，确定晶体熔点为1045℃，相变温度为1010℃.X射线粉末衍射测试，验证所生长的晶体为β-Yb:KY(WO₄)₂.晶体结构分析确定Yb:KY(WO₄)₂晶体由WO₆八面体连接而成，WO₆八面体是由双氧桥(WOOW)及单氧桥(WOW)构成.晶体粉末样品室温下的红外及拉曼光谱测试，确定WO₆原子基团、双氧桥及单氧桥的振动频率.晶体的吸收峰位于940nm，980nm，发射峰位于989nm—1030nm. 关键词： 晶体结构 光谱 晶体生长     

Interaction of Scopolamine and Cholesterol with Sphingomyelin Bilayers by FT-Raman Spectroscopy

The interaction of scopolamine and cholesterol with sphingomyelin bilayers has been investigated by FT-Raman spectroscopy in head-group region (600-1000 cm^-1), the C-C stretching (1000-1200 cm^-1), CH₂ deformation (1400-1500 cm^-1) and the C-H stretching (2800-3000 cm^-1) mode regions. The results indicate that scopolamine and cholesterol do not change the conformation of O-C-C-N⁺ backbone in the choline group of sphingomyelin bilayers, the polar headgroup is still extending parallel to the bilayer surface and 0-C-C-N⁺ group is still in its gauche conformer. Scopolamine and cholesterol lower the order of the interface, the interchain, CH₂ crystal lattices and the lateral chain-chain packing, and increase their fluidity.     

低对称畸变晶场下晶体CsMnBr3吸收光谱分裂的理论解释

考虑晶体CsMnBr₃中Mn²⁺离子所处的低对称畸变晶场——D_3d对称,用赵等人提出的络合物中Mn²⁺的SCF d-轨道,研究了MnBr₆^4-中Mn²⁺的d电子结构以及吸收光谱和晶体结构之间的关系,CsMnBr₃晶体吸收光谱在18280cm^-1,2170Ocm^-1,26300cm^-1和29650cm^-1等处的分裂得到了理论解释,理论和实验符合很好。 关键词：     

Features of the Percolation Scheme of Vibrational Spectrum Reconstruction in the Ga1 – xAl x P Alloy

Specific features of the properties of Ga–P lattice vibrations have been investigated using the percolation model of a mixed Ga_{1 – x}Al _x P crystal (alloy) with zero lattice mismatch between binary components of the alloy. In contrast to other two-mode alloy systems, in Ga_{1 – x}Al _x P a percolation splitting of δ ~ 13 cm^–1 is observed for the low-frequency mode of GaP-like vibrations. An additional GaP mode (one of the percolation doublet components) split from the fundamental mode is observed for the GaP-rich alloy, which coincides in frequency with the gap corresponding to the zero density of one-phonon states of the GaP crystal. The vibrational spectrum of impurity Al in the GaP crystal has been calculated using the theory of crystal lattice dynamics. Upon substitution of lighter Al for the Ga atom, the calculated spectrum includes, along with the local mode, a singularity near the gap with the zero density of phonon states of the GaP crystal, which coincides with the mode observed experimentally at a frequency of 378 cm^–1 in the Ga_{1 – x}Al _x P (x < 0.4) alloy.

     

The adsorption of ammonia on a Fe(110) single crystal surface studied by high resolution electron energy loss spectroscopy (EELS)

EELS spectra of ammonia adsorbed on a Fe(110) single crystal surface at 120 K reveal four different molecular adsorption states:1. At very low exposures (0.05 L) three vibrational losses at 345 cm^?1, 1170 and 3310 cm^?1 are observed which are attributed to the symmetric Fe-N stretching-, N-H₃ deformation and N-H₃ stretching modes of chemisorbed molecular ammonia, respectively. The observation of only three vibrational losses indicates an adsorption complex of high symmetry (C_3v).2. Further exposures up to 0.5 L cause the appearance of additional losses at 1450 cm^?1, 1640 cm^?1 and 3370 cm^?1. The latter two are interpreted as the degenerate NH₃ deformation and - stretching modes of molecularly adsorbed NH₃. The 1450 cm^?1 loss is a combination of the losses at 345 cm^?1 and 1105 cm^?1. The observation of 5 vibrational losses is consistent with an adsorption complex of C_s symmetry.3. In the exposure range from 0.5 to 2 L adsorption of molecular ammonia in a second layer is observed. This phase is characterized by a symmetric deformation mode at 1190 cm^?1 and by two additional very intense modes at 160 cm^?1 and 350 cm^?1 which are due to rotational and translational modes.4. Exposures above 2 L cause multilayer condensation of ammonia characterized by translational and rotational bands at 190 cm^?1, 415 cm^?1 and 520 cm^?1, and a symmetric deformation mode at 1090 cm^?1. A broad loss feature around 3300 cm^?1 is attributed to hydrogen bonding in the condensed layer.Thermal processing of a Fe(110) surface ammonia covered at 120 K leads to decomposition of the ammonia into hydrogen and nitrogen above 260 K. No vibrational modes due to adsorbed NH or HN₂ species were detected.     

Infrared spectra of paraelectric and ferroelectric CsH2PO4

ir spectra are reported for polycrystalline CsH₂PO₄ above and below the transformation temperature, 153 K. Three absorption bands at 1760 cm^-1 2350 cm^-1 and 2800 cm^-1 are assigned to -OHO- vibrations. Whilst the 2350 cm^-1 band remains essentially unaltered, the 1760 cm^-1 band splits into multiplets and the 2800 cm^-1 band shifts to lower frequency on cooling below 153 K. A broad band centred at 3240 cm^-1 is found to exist in the ferroelectric phase and is associated with the -OHO- mode involving the H(2) proton ordered below the transition.     

Far infrared optical properties of proustite (Ag3AsS3)

The infrared reflection and transmission spectra of Ag₃AsS₃ single crystals have been between 20 and 650 cm^-1 at room temperature. Fourteen phonon modes were observable in reflectivity with the dominant restrahlen bands occuring at 360 cm^-1 and 35 cm^-1 for E? c and at 335 cm^-1 and 35 cm^-1 for E⊥ c. These measurements indicate that generation of far infrared radiation by mixing of two laser frequencies using proustite as the down-conversion crystal is not possible.     

On the nature of a lattice vibrational mode at a frequency of 135 cm−1 in Hg1 − x Cd x Te alloys

The vibrational spectrum of a cadmium impurity atom in the HgTe crystal has been calculated using the microscopic theory of lattice dynamics in the approximation of a low impurity concentration. Within this theory, the behavior of the local and quasi-local modes induced upon substitution of the lighter Cd atom for the Hg atom in the region of the zero or very low one-phonon density of states in the HgTe crystal has been considered. It has been found that, apart from the local mode at a frequency of 155 cm^?1, the calculated vibrational spectra exhibit a weak (but clearly pronounced) feature at a frequency of 134 cm^?1, which coincides with the experimentally observed vibrational mode (the “minicluster” mode) at a frequency of 135 cm^?1 in the Hg_{1 ? x} Cd _x Te (x = 0.2–0.3) alloys at 80 K.     

3Cu(IO3)2·2H2O晶体的电子结构研究

本文测定了3Cu(IO₃)₂·2H₂O球晶的电子吸收光谱,吸收峰位于9140cm^-1和15250cm^-1。首次观察到了高达6110cm^-1的低对称晶场分裂。吸收曲线经Gauss分解可得到八个Gauss型吸收峰,分别位于8590,10690,10870,12190,13500,14510,15330和16500cm^-1。测量其EPR谱可得g=2.141±0 关键词：     

Observation of new Raman lines in GeSe and SnSe at low temperatures

Polarized Raman spectra are investigated in GeSe and SnSe at low temperatures. New Raman lines which can not be expected by a group theoretical analysis for the known crystal structure of the orthorhombic D¹⁶_2h have been observed typically in the (a, a) and (b, b) polarization configurations. With decreasing temperature, three lines in GeSe grow weakly at 89,201 and strongly at 226 cm^-1 below 150 K, accompanied by enhancement of layer breathing mode (175 cm^-1 at 273 K) intensity. One line in SnSe grows weakly at 193 cm^-1 below 50 K. The appearance of the new Raman lines as well as a resistivity anomaly suggests a novel structural phase transition in this system.     

A polarized micro-Raman study of a 0.65PbMg1/3Nb2/3O3 - 0.35PbTiO3 single crystal

Polarized micro-Raman spectra of a 0.65PbMg_1/3Nb_2/3O₃-0.35PbTiO₃ (0.65PMN-0.35PT) single crystal poled in the [001] direction are obtained in a wide frequency range (50-2000 cm^-1) at different temperatures. The best fit to the Raman spectrum at 77 K is achieved using 17 Lorenzians to convolute into it, and this is proved to be a reasonable fit. According to the group theory and selection rules of overtone and combinational modes, apart from the seven Raman modes that are from first-order Raman scattering, the remaining ones are attributed to being from second-order Raman scattering. A comparison between the experimental results and theoretical predictions shows that they are in satisfactory agreement with each other. Our results indicate that at 77 K the sample belongs to the rhombohedral symmetry with the C_3v⁵ (R3m) space group (Z=1). In our study, on heating, the 0.65PMN-0.35PT single crystal undergoes a rhombohedral to tetragonal to cubic phase transition sequence. The two phase transitions occur at 340 and 440 K, which correspond to the disappearance of the soft mode near 106 cm^-1 recorded in VV polarization and the vanishing of the band around 780 cm^-1 in VH polarization, respectively.     

Study of lattice vibrational modes in CuGaS2 by using fourier transform spectroscopy

The lattice dynamics of a single crystal of CuGaS₂, grown by iodine transport technique, have been studied by using far IR absorption spectroscopy. All the absorption maxima caused by the phonon excitation are compared with the lattice vibrational modes obtained by Raman spectroscopy and by IR reflection techniques. An absorption maximum located at 175 cm^?1 cannot be explained with the help of phonon excitation; however this peak can be attributed to the defect frequency originating from the replacement of gallium atom by sulphur in the v₁₇ mode of vibration. The frequency of this defect-induced vibrational mode is calculated by taking a modified molecular model approach, and is found to be 166.9 cm^?1, which is in reasonably good agreement with the experimentally observed value of 175 cm^?1.     

利用偏振喇曼谱研究KBr:Pb2+单晶中的HD色心

本文报道掺铅溴化钾单晶在液氮温度下经大剂量X射线辐照后的偏振喇曼测量结果。利用几年前才发展起来的所谓“表现型”分析方法,确认喇曼谱中频移为186cm^-1的信号具有点群C_1k(010),它起因于H_D色心的A模振动。 关键词：     

Raman spectroscopic study of the tellurite minerals: emmonsite Fe23+Te34+O9·2H2O and zemannite Mg0.5[Zn2+Fe3+(TeO3)3]4.5H2O

Raman spectroscopy has been used to study zemannite Mg_0.5[Zn²⁺Fe³⁺(TeO₃)₃]4.5H₂O and emmonsite Fe₂³⁺Te₃⁴⁺O₉·2H₂O. Raman bands for zemannite and emmonsite, observed at 740 and 650 cm⁻¹ and at 764 and 788 cm⁻¹, respectively, are attributed to the ν₁ (TeO₃)²⁻ symmetric stretching mode. The splitting of the symmetric stretching mode for emmonsite is in harmony with the results of X‐ray crystallography which shows three non‐equivalent TeO₃ units in the crystal structure. Two bands at 658 and 688 cm⁻¹ are assigned to ν₃ (TeO₃)²⁻ anti‐symmetric stretching modes. Raman bands observed at 372 and 408 cm⁻¹ for zemannite and 397 and 414 cm⁻¹ for emmonsite are attributed to the (TeO₃)²⁻ν₂(A₁) bending mode. The two Raman bands at 400 and 440 cm⁻¹ for emmonsite are ascribed to the ν₄(E) bending modes, while the band at 326 cm⁻¹ is due to the ν₂(A₁) bending vibration. Copyright © 2008 John Wiley & Sons, Ltd.     

KTiOPO4晶体纵横模劈裂的喇曼谱

在室温下测量了ＫＴｉＯＰＯ₄单晶的偏振喇曼散射谱，应用９０°散射及背散射得到了各模的峰位值，其中Ｂ₁（ＬＯ）模、Ｂ₂（ＬＯ）模的喇曼谱测量尚未见报道过。根据ＬＯ－ＴＯ劈裂的实验结果，计算出该晶体极化模的有效电荷、振子强度及沿对称轴方向的静态介电常数。 关键词：     

Effect of pressure on Raman spectra of SnS2 single crystals

The 2H polytype of a SnS₂ layered crystal has been studied using Raman spectroscopy at pressures of up to 5 GPa in a diamond anvil cell. The Raman frequency of the intralayer mode increases linearly with increasing pressure at baric coefficients of 5.2 cm⁻¹/GPa for P<3 GPa and 3.4 cm⁻¹/GPa for P>3 GPa. This change in the baric coefficient for Raman scattering and the available data on X-ray measurements of the compressibility of 2H-SnS₂up to 10 GPa suggest that the crystal structure undergoes a transformation at about 3 GPa.     

Li2B4O7晶体的晶格振动光谱

在室温下测量了Li₂B₄O₇单晶的各种振动类的偏振Raman散射谱和该晶体粉末样品的红外吸收谱(200—4000cm^-1)。根据LO-TO劈裂的实验结果,计算出该晶体极化模的有效电荷和振子强度。通过与BBO和LBO晶体的结构和B—O伸缩振动模频率比较,得出:Li₂B₄O₇晶体可能有较大的非线性光学系数。 关键词：     

Structural and spectral properties of SnO2 nanocrystal prepared by microemulsion technique

Extrafine SnO₂ nanocrystals as small as 2.4 nm were synthesized by the microemulsion method. The grain sizes and crystallization process were measured and investigated by X-ray diffraction. Two growth processes were proposed, and the activation energies of 4.3 and 23 KJ/mol were obtained for respective low-and fast-growth processes. TEM micrographs and the selected-area diffraction recorded their morphology and crystallization, well crystallized at about 773 K. All the IR modes measured by FT-IR spectrometer were assigned. The 616 cm^-1 mode after annealing at 673 K showed fine crystallization. The temperature dependence of the Raman spectra shows that increase in intensity and decrease in linewidth of the 636 cm^-1 mode with the increasing grain size indicate a phonon confinement effect. A new 330 cm^-1 Raman mode originally inactive in bulk, was observed in the SnO₂ nanocrystal by size effect. A low frequency mode at 76 cm^-1 shifts to 38 cm^-1 as the temperature goes up 873 K, which can be characterized to determine the SnO₂ grain sizes. PACS 61.46.+w; 61.10.-i; 78.30.-j; 81.20.-n     

Vibrational spectra of antiferromagnetic FeBO3

Transmission spectra of powdered ferric borate have been measured in the wave number region from 6000 cm^-1 to 30 cm^-1 at room and liq. N₂ temperatures. Eight absorption bands observed are assigned as three A_2u and five E_u phonon modes. Of those modes, the temperature dependence of the E_u mode ar 230 cm^-1 (300 K) and the A_2u mode at 277 cm^-1 (300 K) have been measured in the temperature range containing the Néel temperature. They do not show the influence of magnetic ordering.