Broadening and shift of lines of the ν<Subscript>2</Subscript> + ν<Subscript>3</Subscript> band of water vapor induced by helium pressure

The broadening and shift coefficients of more than 100 absorption lines of the ν₂ + ν₃ band of water vapor that are induced by the pressure of helium are measured and calculated. The broadening and shift coefficients are obtained from analysis of the room-temperature absorption spectra of an H₂O-He mixture measured with a resolution of 0.007 cm^?1 on a Fourier spectrometer in a large range of helium pressures. The specific features in the rotational dependence of the line center shifts are determined, which, in contrast to the broadening induced by other gases, are mainly positive. The calculated coefficients of the line broadening and shift of line centers are determined by a semiclassical method. An unusual dependence of the shift coefficients is explained by the rotational dependence of the intermolecular isotropic interaction potential.     

Search for ν<Subscript>μ</Subscript> → ν<Subscript>τ</Subscript> oscillations in appearance mode in the OPERA experiment

The OPERA experiment at the underground Gran Sasso Laboratory (LNGS) has to perform the first detection of neutrino oscillations in appearance mode through the direct observation of ν_μ → ν_τ. The apparatus consists of a lead/emulsion-film target complemented by electronic detectors. It is placed in the high-energy, long-baseline CERN neutrino beam (CNGS) 730 km away from the neutrino source. Runs with CNGS neutrinos were successfully carried out in 2008–2009 with the first candidate event ν_μ → gv_τ recently detected.     

The absorption spectrum of D<Subscript>2</Subscript>O in the region of 0.97 μm: the 3ν<Subscript>1</Subscript> + ν<Subscript>3</Subscript> vibrational–rotational band

The vibrational–rotational absorption spectrum of D₂O in the range from 10 120 to 10 450 cm^–1 is recorded on a Fourier transform spectrometer with a resolution of 0.05 cm^–1. The measurements were performed using a multipass White cell with an optical path length of 24 m. A light-emitting diode with brightness higher than that of other devices was used as a radiation source. The signal-to-noise ratio was about 10⁴. The spectrum is interpreted as consisting of lines of more than 400 transitions. The spectral characteristics of lines (centers, intensities, and half widths) are determined by fitting the Voigt profile parameters to experimental data by the least-squares method. The intensities of lines and the experimental rotational energy levels of the (301) vibrational state of the D₂ ¹⁶O molecule with high rotational quantum numbers are determined for the first time.     

Calculation of line parameters of the ν<Subscript>3</Subscript> band of monodeuterated methane: Nitrogen broadening

Halfwidths and shifts of CH₃D lines are calculated for the case of nitrogen broadening. The calculations are performed for room temperature (296 K) for vibrational–rotational lines in the ν₃ parallel band, with the rotational quantum numbers varying in the ranges of 0 ≤ J ≤ 70 and 0 ≤ K ≤ 20. For each line, the temperature-dependence characteristics are calculated in the range of 200–400 K recommended for the HITRAN database. The calculations are carried out using a semiempirical method with a correction factor the parameters of which are adjusted on a number of experimental values.     

Infrared spectra of thin films of α-crystalline hexafluoroethane: a manifestation of resonant dipole–dipole interaction in the range of fundamental vibrational modes ν<Subscript>5</Subscript> and ν<Subscript>10</Subscript>

Infrared reflection-absorption spectra of thin films of α-crystalline hexafluoroethane deposited on a gold-plated copper mirror are measured at temperatures of 70 and 80 K. The bands corresponding to strong in the dipole absorption vibrations ν₅ and ν₁₀ have complex contours, the shape of which is explained in terms of the resonant dipole–dipole interaction between identical spectrally active molecules of the crystal. Splittings of the complex ν5 and ν10 bands are explained taking into account two effects: the Davydov splitting and the LO–TO splitting of the strong modes. Bands of the asymmetric ¹³С¹²СF₆ isotopologue in the absorption spectrum of the crystal exhibit an anomalously large isotope shift as compared with the shift in the spectrum of free molecules. This anomaly is explained by intermolecular resonant dipole–dipole interaction of asymmetric ¹³С¹²СF₆ isotopologue with molecules of the environment, consisting of the most abundant ¹²C₂F₆ isotopologue. The correctness of the given interpretation is confirmed calculating these three effects in the model of resonant dipole–dipole interaction.     

Specific heat of the [NH<Subscript>2</Subscript>(CH<Subscript>3</Subscript>)<Subscript>2</Subscript>]<Subscript>2</Subscript>ZnCl<Subscript>4</Subscript> crystal in the temperature region 80–300 K

The specific heat of [NH₂(CH₃)₂]₂ZnCl₄ was measured calorimetrically in the temperature region 80–300 K. As the temperature T decreases, the C _p (T) dependence indicates a phase transition sequence, with the phase transition at T₆=151 K observed for the first time. The thermodynamic characteristics of the crystal were refined. The transformation occurring at T₂=298.3 K is shown to be an incommensurate-commensurate phase transition.     

Anomalous states of the structure of [Rb<Subscript>0.7</Subscript>(NH<Subscript>4</Subscript>)<Subscript>0.3</Subscript>]<Subscript>2</Subscript>SO<Subscript>4</Subscript> crystals in the temperature range 4.2–300 K

Crystals of [Rb_0.7(NH₄)_0.3]₂SO₄ solid solutions are studied using x-ray diffractometry in the temperature range 4.2–300 K. No anomalies are revealed in the temperature dependences of the lattice parameters and the volume of the host unit cell. A series of superstructure reflections observed along the basis axes corresponds to the guest lattice formed in the matrix of the host structure. From analyzing the axial ratio of these structures and their temperature dependences, it is concluded that the structure of the crystal has the form of an incommensurate composite. The guest structure of the composite at room temperature can be considered a set of chains that are not correlated along the b direction. In the plane perpendicular to the chain axes, these chains form a regular framework that is also incommensurate to the host lattice.     

Mössbauer and magnetic studies of the phase state of SrFe<Subscript>12</Subscript>O<Subscript>19</Subscript>/La<Subscript>0.9</Subscript>Ca<Subscript>0.1</Subscript>MnO<Subscript>3</Subscript> composites

The formation of an intermediate phase in SrFe₁₂O₁₉/La_0.9Ca_0.1MnO₃ composites was demonstrated for the first time using only Mössbauer spectroscopy. The SrFe₁₂O₁₉/La_0.9Ca_0.1MnO₃ composite was prepared by the two-stage (sol–gel and hydrothermal) synthesis with varying initial conditions. The X-ray diffraction studies showed that the composite consisted of two phases: well-formed structures of manganite La_0.9Ca_0.1MnO₃ and hexagonal ferrite SrFe₁₂O₁₉. It was found that nanocrystalline La_0.9Ca_0.1MnO₃ particles with size d ? 150 nm formed in the composites at the surface of plate-like SrFe₁₂O₁₉ crystallites. The Mössbauer studies showed that the composite contained additional (intermediate) phase La_0.9Ca_0.1Mn(Fe)O₃ that formed at the interface between SrFe12O19 and La_0.9Ca_0.1MnO₃ phases. The intermediate phase concentration increased with the molar content of La_0.9Ca_0.1MnO₃; in this case, the fraction of the surface of SrFe₁₂O₁₉ crystallites coated with La_0.9Ca_0.1MnO₃ increased, which led to the increase in the total area of the interface surface and the intermediate phase concentration.     

ν<Subscript>μ</Subscript> → ν<Subscript> <Emphasis Type="Italic">e</Emphasis> </Subscript> oscillations search in the OPERA experiment

The tracking capabilities of the OPERA detector allow to reconstruct τ-leptons and electrons. It gives a possibility to observe ν_μ → ν_τ oscillations in the appearance mode and to study ν_μ → ν_e oscillations in the ν_μ CNGS beam. Current results on ν_μ → ν_e channel in the three-flavour mixing model are presented. The same data allow to constrain the presence of additional sterile neutrino states. The analysis of the full 2008–2012 OPERA data set and work on its improvement are going on. Details of the achievements are presented.     

<Superscript>2</Superscript>H NMR investigation of the transition to the proton glass state in the Cs<Subscript>5</Subscript>H<Subscript>3</Subscript>(SO<Subscript>4</Subscript>)<Subscript>4</Subscript> · 0.5H<Subscript>2</Subscript>O crystal

A crystal of the Cs₅H₃(SO₄)₄ · xH₂O (x ≈ 0.5) (PCHS) compound, which belongs to the family of proton conductors with a complex system of hydrogen bonds, is investigated by ²H NMR spectroscopy. The temperature and orientation dependences of the ²H NMR spectra are measured and analyzed. It is established that, upon transition to the glassy phase at the temperature T _g = 260 K, the parameters characterizing the proton exchange between positions in hydrogen bonds remain unchanged to within the limits of experimental error. The protons in the two-dimensional network of hydrogen bonds in the (001) plane are dynamically disordered over possible positions down to temperatures considerably lower than the glass transition point T _g . However, water molecules are fixed at particular structural positions in the phase transition range. In PCHS crystals with a nonstoichiometric water content, this circumstance can be responsible for the frustration that leads to the formation of the glassy state.     

Optical investigations of the clathrate α-Eu<Subscript>8</Subscript>Ga<Subscript>16</Subscript>Ge<Subscript>30</Subscript>

We performed measurements of the optical reflectivity in the energy range 0.007–30 eV on the clathrate-VIII type compound α-Eu₈Ga_{16- x}Ge_{30 x} in order to investigate its electronic band structure. The very low charge carrier concentration as well as ferromagnetic ordering of the divalent Eu ions below 10.5 K characterize the spectra at photon energies below ≃0.4 eV in accordance with the results of band structure calculations. Disorder induced bound states have been identified to affect the optical conductivity at energies between 10 and 100 meV.     

Origin of the structural local transition in the molecular impurity ion MnO<Stack><Subscript>4</Subscript><Superscript>2−</Superscript></Stack> in the K<Subscript>3</Subscript>Na(CrO<Subscript>4</Subscript>)<Subscript>2</Subscript> ferroelastic

A new model is proposed for a local transition in a Jahn-Teller impurity center in a crystal with a ferroelastic (ferroelectric) phase transition. This model is based on direct interaction of the order parameter of the phase transition in the matrix with the Jahn-Teller impurity degrees of freedom. It is shown that, under these conditions, the order parameter field can induce lifting of degeneracy of the electronic states active in the Jahn-Teller effect, which is accompanied by a transition from the Jahn-Teller effect to the pseudo-Jahn-Teller effect with its subsequent suppression. As a result, a decrease in temperature gives rise to a structural local transition in the region of the low-symmetry ferroelastic (ferroelectric) matrix phase from the many-well local adiabatic to a single-well potential. The model proposed allows interpretation of experimental data obtained in an EPR study of the molecular impurity ion MnO ₄ ^2? in the K₃Na(CrO₄)₂ ferroelastic.     

Heat capacity of the [N(C<Subscript>2</Subscript>H<Subscript>5</Subscript>)<Subscript>4</Subscript>]<Subscript>2</Subscript>CdBr<Subscript>4</Subscript> crystal in the temperature range 80–300 K

The heat capacity of the [[N(C₂H₅)₄]₂CdBr₄ crystal is measured by the calorimetric method in the temperature range from 80 to 300 K. It is revealed for the first time that the temperature dependence of the heat capacity C _p (T) exhibits an anomaly associated with the first-order phase transition occurring at the temperature T ₁ = 226.5 K. A long relaxation of the temperature of the crystal is observed in the temperature range 150–165 K.     

Influence of Matrix Nature on the Structural Characteristics of In<Subscript>2</Subscript>O<Subscript>3</Subscript>–CeO<Subscript>2</Subscript> and SnO<Subscript>2</Subscript>–CeO<Subscript>2</Subscript> Composites Fabricated by the Impregnation Method

The structural characteristics, valence states, and distribution of cerium ions between the components in In₂O₃–CeO₂ and SnO₂–CeO₂ nanocomposites fabricated using the impregnation method were studied. X-ray photoelectron spectroscopy (XPS) and energy-dispersive X-ray spectroscopy (EDX) were used to show that, during impregnation, cerium ions are not included into In₂O₃ crystals and are disposed only on their surface in the form of nano-sized crystallites or amorphous clusters. On the other side, under the contact of CeO₂ clusters with a surface of SnO₂ matrix crystals, cerium ions penetrate into the surface layer of these crystals. In contrast to an In₂O₃–CeO₂ system, where the addition of CeO₂ does not affect the conduction activation energy, where cerium oxide is added to SnO₂, the observed increase in the resistance of a SnO₂–CeO₂ composite is accompanied by a sufficient increase in activation energy. These data and the XPS spectra confirm the modification of the surface layers of conductive SnO₂ crystals as, a result of the penetration of cerium ions into these layers.     

Calculation of refractive indices for the (NH<Subscript>2</Subscript>CH<Subscript>2</Subscript>COOH)<Subscript>2</Subscript> · HNO<Subscript>3</Subscript> crystal

The refraction R of the diglycine nitrate (DGN) crystal, (NH₂CH₂COOH)₂ · HNO₃, in the para-and ferroelectric phases has been calculated in the model of noninteracting diatomic chemical bonds of the elementary unit cell of the crystal on the basis of the longitudinal and transversal polarizabilities of these bonds. The calculated magnitudes of the principal refractive indices n _p , n _m , and n _g and the orientations of the optical indicatrix of the crystal agree satisfactorily with experimentally observed values. Introducing the coefficient of Lorenz-Lorentz interaction x into the corresponding formula permits better agreement of the calculated and experimental refractive indices of DGN crystal to be obtained. The temperature changes of these x coefficients upon the ferroelectric phase transition in the DGN crystal have been analyzed.     

“Negative” gap in the spectrum of localized states of (In<Subscript>2</Subscript>O<Subscript>3</Subscript>)<Subscript>0.9</Subscript>(SrO)<Subscript>0.1</Subscript>

The reflection R(?ω), transmission t(?ω), absorption α(?ω), and refraction n(?ω) spectra of polycrystalline In₂O₃–SrO samples with low optical transparency, which contain In₂O₃ and In₂SrO₄ crystallites with In₄SrO_{6 + δ} interlayers, are examined. In the region of small ?ω values, the reflection coefficient decreases as the resistance of samples saturated with oxygen increases. Spectral dependences n(?ω) and α(?ω) are calculated using the classical electrodynamics relations. The results are compared to the data based on the t(?ω) spectra. The calculated absorption spectra are interpreted within the model with an overlap of tails of the density of states in the valence band and in the conduction band. A “negative” gap E _gn in the density of states with a width from–0.12 to–0.47 eV is formed in highly disordered samples in this model. It is demonstrated that the high density of defects and the band of deep acceptor states of strontium in the major matrix In₂O₃ phase are crucial to tailing of the absorption edge and its shift toward lower energies. The direct gap E _gd = 1.3 eV corresponding to the In₂SrO₄ phase is determined. The energy band diagram and the contribution of tunneling, which reduces the threshold energy for interband optical transitions, are discussed.     

Theoretical study of the structure of lead zirconate–titanate PbZr<Subscript>0.6</Subscript>Ti<Subscript>0.4</Subscript>O<Subscript>3</Subscript>

A model of the structure of the piezoelectric ceramic lead zirconate–titanate PbZr_1–x Ti _x O₃ (PZT) is proposed. The model is based on ab initio calculations for possible local structures using the density functional theory (DFT) approach. A comparison of the calculated neutron diffraction data for local structures and the measured diffraction data obtained for actual powder samples shows there is a partially established long-range crystalline order in the material, in the sublattice of Zr and Ti cations.     

EPR study of the spin dynamics of the (La<Subscript>1−<Emphasis Type="Italic">y</Emphasis></Subscript>Pr<Subscript>y</Subscript>)<Subscript>0.7</Subscript>Ca<Subscript>0.3</Subscript>MnO<Subscript>3</Subscript> system

The EPR of Mn ions in the (La_1?yPr_y)_0.7Ca_0.3MnO₃ system has been studied within a broad range of temperatures (4<T<600 K) and Pr concentrations (0≤y≤1), as well as under isotope substitution of ¹⁸O for ¹⁶O. All compositions were shown to undergo transitions to a magnetically ordered state with decreasing temperature. Magnetic phase diagrams were constructed for systems with different oxygen isotopes. The diagrams include paramagnetic, ferromagnetic, and antiferromagnetic regions. In the paramagnetic region, at temperatures not too close to the phase transition points, the Mn ion linewidth ΔH _pp (T) is related to the magnetic susceptibility χ(T) through the relation ΔH _pp (T) = [χ₀/χ(T)]ΔH _pp (∞) + ΔH₀, where ΔH _pp (∞) is the width of the exchange-narrowed line in the high-temperature approximation, χ₀ ∝ 1/T is the susceptibility of noninteracting ions, and ΔH₀ is the residual width originating from the sample porosity and resonance-field scatter in unoriented grains of a powder sample. An analysis of the data on ΔH _pp (∞), ΔH₀, and χ(T) made it possible to estimate the symmetric and antisymmetric exchange interaction of Mn ions and of the noncubic crystal-field component of the oxygen ions. These parameters were found to be independent of the oxygen isotope species to within experimental error.