IR Spectroscopic Study of the Mixed Crystal System (LixAg1-x)NO3

A spectroscopic analysis of the various IR internal modes for the mixed crystal system of lithium nitrate and silver nitrate were carried out. The study aims mainly to find out the effect of partial replacement of Ag⁺ ion by Li⁺ ion on the internal fundamental modes of vibrations of the NO₃^? group in both of the ordering and disordering states of these two metallic nitrate compounds. The characteristic variations observed are attributed to differences in polarizability from cationic sphere around the nitrate group. An interesting increase of the maximum frequency observed on passing from pure components to mixtures is attributed to a change in force constant.     

Low-frequency vibrations of bacteriochlorophyll

Frequencies and normal vibrational modes of bacteriochlorophyll are calculated using the semiempirical quantum-mechanical MNDO-PM3 method. To analyze the structure of normal modes, the indices of delocalization of the vibrations and the distribution functions of normal modes over atoms in the molecule are introduced. It is shown that normal vibrational modes of bacteriochlorophyll in the region from 3 to 20 cm^?1 represent “intermolecular” vibrational modes of phytol and tetrapyrrole macrocycle. As the vibrational frequency increases, the normal modes delocalized both on phytol and tetrapyrrole atoms alternate with the modes that are delocalized only on phytol atoms or only on tetrapyrrole atoms. The structural properties of some modes are considered in the aspect of their possible involvement in the formation of absorption spectra of the pigments of reaction centers in photosynthesis and in the formation in them of the coordinate of a primary reaction of the intermolecular electron transfer.     

Oscillator parameters of transverse phonons in <Emphasis Type="Italic">a</Emphasis>-domain lead titanate

The temperature behavior of polarized Raman spectra of a-domain PbTiO₃ single crystals has been investigated. The spectra obtained are fit by a damping harmonic oscillator model with allowance for a complex background structure. A full set of oscillator parameters of all phonon modes in the frequency range 12 < ν < 1200 cm^?1 is obtained and their temperature dependences in the range from 300 to 800 K are presented.     

Raman spectra of α-GaTe single crystals

Raman-active lattice vibrational modes of GaTe have been investigated at 300°K in the frequency range 13–300 cm^-1. The spectra of the Bridgman grown crystals were excited with the 1.06 μm line of the continuously operated YAG : Nd³⁺ laser. Fourteen Raman bands were observed. All phonon modes have been assigned on the basis of their observed polarisation dependence to an irreducible representation of the appropriate point group. The results are consistent with the existence of GaTe in monoclinic α-polytype (C³_2h).     

The phonon spectra of trigonal selenium at 77 and 298°K

Phonon dispersion curves in the principal symmetry directions of trigonal selenium single crystals have been measured by neutron inelastic scattering, using a three-axis spectrometer. The acoustic modes and the three lowest-lying optical modes (q = 0 energy transfers of 13·5 and 18·5 meV) have been measured at 77°K. The acoustic modes have also been measured at 298°K. There are small frequency shifts between the two temperatures, but the general agreement between the acoustic mode frequencies measured at the two temperatures is excellent. The data have been fit by a force constant model which assumes completely general harmonic forces between the first two neighbors in the same covalently bonded chain and axially symmetric forces derived from a potential of the form V = ? Ar^?m + Br^?n between all other atoms out to an interatomic distance of 6·5 . Fits were carried out with (m; n) = (3; 5) and (6; 12). For the former, the best values of A and B correspond to a Van der Waals equilibrium distance of 3·9and a minimum energy at this distance of 1·5 × 10^?13 ergs (about 2 kcal/mol). There are, however, significant discrepancies between the calculated and observed dispersion curves which indicate that a more sophisticated force model is needed.     

Tuning and mode characteristics of the C.W. InSb spin-flip Raman laser determined by use of a Fabry-Perot interferometer

A simple variable length (10–50 cm) air-spaced Fabry-Perot interferometer has been used to calibrate the tuning characteristics of a c.w. InSb spin-flip Raman laser (SFRL). The SFRL output frequency is determined by competition between the spontaneous spin-flip resonance line and the cavity axial modes of the InSb crystal. Over several cavity modes the SRFL is found to tune linearly within ±250 MHz and inside a single mode to ±50 MHz. The tuning rate over several modes is found to be 2.35 cm^-1/kgauss and within a single mode the tuning rate is 1.80 cm^-1/kgauss. Frequency jumps of ≈500 MHz between modes are inferred. Used in conjunction with the observation of known molecular absorption lines as frequency standards, the interferometer provides a calibration of the SFRL suitable for infra-red Doppler limited spectroscopy. of gases. The observed frequency asymmetry in the SFRL output power and the non-linear tuning rate (variable from ≈70-40 MHz/gauss) over a single axial mode show plane-wave cavity theory to be inadequate. These effects can be explained by considering gain controlled refraction induced by a pump beam of gaussian profile. The near resonant dispersion of the refractive index of InSb is inferred from a measurement of the spacing between adjacent peaks in the SFRL output.     

Experimental study of the vibrations of acetylene chemisorbed on Ni(111)

High resolution electron energy-loss measurements of normal and deuterated acetylene chemisorbed on Ni(111) have been obtained. Observed vibrational modes are identified using the frequency shifts for the deuterated species and comparisons to the free molecule and a di-cobalt compound of acetylene. These vibrational frequencies indicate that chemisorbed acetylene is strongly rehybridized having a state of hybridization between ~sp^2.5 and sp³. Consideration of the types of modes observed, their assignments and the surface selection rule suggests a molecular orientation with the C-C bond axis slightly skewed relative to the surface and with the plane of the distorted molecule normal to the surface. A bonding geometry is proposed which has the carbon atoms residing above two adjacent 3 fold hollow sites of the Ni surface. This molecular geometry differs from that deduced previously by electron energy-loss spectroscopy for molecularly adsorbed acetylene on Pt(111).     

Performance of internal-mirror frequency-stabilized He-Ne lasers emitting green,yellow or orange light

A comprehensive control system has been developed for the stabilization of internalmirror He-Ne lasers to their power envelopes. It is designed particularly for use with lasers emitting at 552, 505, or 490 THz (543, 594, 612 nm). The aim has been to combine convenience in routine operation with good day-to-day resettability and minimal frequency drift during a day. The lasers are observed to emit in up to four modes simultaneously and their tuning behaviour is highly alignment-sensitive. They also tend to flip between modes having orthogonal linear planes of polarization. Reliable control of polarization and mode frequency are possible using permanent magnets and active length control through thermal expansion. The stabilized single-frequency outputs have frequency drifts of about 2×10^–8 per year, and powers of between 150 W and 850 W.     

Vibrational properties of the F A (Li+) center in alkali halides

Abstract

The on- or off-axis behavior and the vibrational properties of the F _A (Li⁺) center are investigated in several alkali halides by means of polarized resonant Raman scattering. The observed Raman modes are interpreted and classified according to their nature and frequency. A comparison between on- and off-axis systems and between the vibrational modes of the isolated Li⁺ and the F _A (Li⁺) center reveals a displacement of the Li⁺ equilibrium position parallel to the F _A (Li⁺) defect axis and, due to the small impurity size, away from the adjacent F center.     

Infrared vibrational spectra of l-histidinium dihydrogen orthophosphate orthophosphoric acid (LHP)

The entire vibrational spectrum of a single crystal of l-histidinium dihydrogen orthophosphate orthophosphoric acid (LHP) was studied by infrared (IR) spectroscopy from 10 up to 4000 cm⁻¹. The polarized infrared (IR) reflectivity spectra were measured between 7 and 250 K, in the frequency range 10–600 cm⁻¹. From the IR spectral analysis, the phonon modes were classified within their symmetry species, and their longitudinal (LO) and transversal (TO) optical frequencies were calculated. A tentative assignment of the various internal modes observed in the transmissivity spectrum of LHP, between 300 and 4000 cm⁻¹, is proposed. The present study did not reveal any low-temperature structural phase transition.     

Dielectric spectroscopy of a high-polarization ferroelectric liquid crystal

Dielectric spectroscopy investigations in the frequency range 50?Hz to 1?MHz have been carried out on a new ferroelectric liquid-crystalline material (S-(-)-4-(2-n-hexylpropionyloxy)biphenyl-4′-(3-methyl-4-decyloxy)benzoate) possessing a relatively large spontaneous polarization (P _s?～?240?nC?cm^?2) and containing a lateral methyl group on the aromatic ring of the alkoxybenzoate unit. The effect of temperature on the dielectric relaxation modes has been investigated in the SmC* and N* phases. From dielectric dispersion data, relaxation frequency and dielectric strength of all detected relaxation modes have been evaluated and discussed. A new surface-like mode of relaxation frequency ～11?kHz and dielectric strength 3.8, is seen to appear in the SmC* phase.     

Far infrared reflectivity spectra of a KH2PO4 single crystal

Conclusion The experimental results presented in this paper show that two heavily damped modes, due to proton tunneling, are active in the two phases of KDP: the well-known soft mode which attains a hard-core frequency at the transition temperature and a low frequency mode polarized in a direction perpendicular to the c axis. These modes are responsible for the temperature variation of the low frequency dielectric permittivity in the two crystallographic directions. Due to the size of the samples we do not obtain a single domain crystal, and it was impossible to distinguish the B₁ and B₂ modes. The 200–300 cm^–1 spectral range is very sensitive to the orientation of the incident wave, and certainly corresponds to the hydrogen bonds vibrations.     

Infrared vibrational spectra of -histidinium dihydrogen orthophosphate orthophosphoric acid (LHP)

The entire vibrational spectrum of a single crystal of -histidinium dihydrogen orthophosphate orthophosphoric acid (LHP) was studied by infrared (IR) spectroscopy from 10 up to 4000 cm⁻¹. The polarized infrared (IR) reflectivity spectra were measured between 7 and 250 K, in the frequency range 10–600 cm⁻¹. From the IR spectral analysis, the phonon modes were classified within their symmetry species, and their longitudinal (LO) and transversal (TO) optical frequencies were calculated. A tentative assignment of the various internal modes observed in the transmissivity spectrum of LHP, between 300 and 4000 cm⁻¹, is proposed. The present study did not reveal any low-temperature structural phase transition.     

Low-frequency fluctuations in a pure toroidal magnetized plasma

A magnetized, low-β plasma in pure toroidal configuration is formed and extensively studied with ion mass as control parameter. Xenon, krypton and argon plasmas are formed at a fixed toroidal magnetic field of 0.024 T, with a peak density of ∼10¹¹ cm⁻³, ∼4 × 10¹⁰ cm ⁻³ and ∼2 × 10¹⁰ cm ⁻³ respectively. The experimental investigation of time-averaged plasma parameter reveals that their profiles remain insensitive to ion mass and suggests that saturated slab equilibrium is obtained. Low-frequency (LF) coherent fluctuations (ω < ω _ci) are observed and identified as flute modes. Here ω _ci represents ion cyclotron frequency. Our results indicate that these modes get reduced with ion mass. The frequency of the fluctuating mode decreases with increase in the ion mass. Further, an attempt has been made to discuss the theory of flute modes to understand the relevance of some of our experimental observations.     

AB INITIO CALCULATIONS OF OPTICAL PHONON DEFORMATION POTENTIALS IN DIAMOND AND ZINC-BLENDE SEMICONDUCTORS

The behavior of the internal lattice vibrational modes in (NH₄)₂Te_xSn_1-xCl₆ mixed crystals has been investigated by Raman scattering. All of the Raman-active [MX₄]^2- internal modes show two-mode property in the mixed crystals with compositions from x =0 to 1, and apart from the sample with x = 0.5, their energy positions are composition-independent, Space group calculations including site symmetry considera-tions and frequency fittings describe a good force field model. It has been demonstrated that the composition-independent two-mode behavior may come from the strong clustering effect, rather than from the character of the gap and local modes of impurities in mixed crystals. For the sample with x=0.5, the two component elements seem to form a pseudo-periodic lattice structure.     

Raman study of squaric acid

Raman spectra of squaric acid have been measured at various temperatures below and above the transition temperature. Six low frequency bands below 300 cm^?1 are assigned to translational and librational modes of the squaric molecule on the basis of the recent crystal determination by X-ray diffraction. A discussion is given of the striking temperature dependence of these external modes in the ordered phase in connection with the phase transition.     

Size and formation of a long wavelength mode packet in the FPU oscillator chain at low energy

The formation of a mode packet in the Fermi-Pasta-Ulam (FPU) oscillator chain, starting from a low frequency mode or modes, at low energy, is reexamined. Both the chain with cubic nonlinearity (FPU-α) and quartic nonlinearity (FPU-β) are examined for fixed boundary conditions. Some of the basic equations are reformulated to bring out the important scalings, which are compared with existing numerical data. It is shown, that for a single linear mode initial condition or for a small set of modes with random phases the resulting size of the mode packet scales as n_ef=?^x where n_ef is the fraction of occupied modes, ? is the energy density, and x=1/4,1/2 for the α, β chains, respectively. For other initial conditions, the results can depend on the initial number of modes and their phases. Some of the scaling relations are shown to have counterparts in exact nonlinear periodic solutions on the chains (q-breathers) and the similarities and differences to the results arising from the chaotic dynamics are pointed out.     

Erratum

Different possibilities for superfluid phases of ³He-films are considered. Two phases (a and b) with the lowest free energy are found. All modes of the Bose-spectrum (12 modes in each phase) are calculated. All Goldstone modes turn out to be stable. The dispersion law is obtained for all nonphonon modes of the Bose spectrum.     

Localized vibrational modes of interstitial oxygen and oxygen complexes in GaP

The i.r. absorption spectrum of GaP in the range 500–1500 cm^?1 is found to contain several sharp impurity modes. Doping and annealing experiments show some of these modes to be connected with the presence of oxygen. Such modes are found to be present in all samples of nominally undoped LEC grown GaP. From the unusually high frequency of the modes and correlations with other semiconductors it is concluded that the oxygen is situated in interstitual sites. A linear chain model is developed to explain the frequency of the mode using force constants similar to those in oxygen doped silicon. The model is then used to predict the vibrational frequencies and the absorption strengths of several types of complex involving the oxygen interstitial. These calculations together with the absorption spectra suggest that oxygen-carbon and oxygen-boron complexes are also present in LEC grown GaP.