Vibration-Torsion-Rotation Study of the ν5 State of CH3CF3

An investigation of the torsion-rotation-vibration energies in the ν₅ vibrational state in CH₃CF₃ has been carried out using infrared and mm-wave spectroscopy. The lowest frequency parallel fundamental band ν₅ near 600 cm⁻¹ has been measured at a resolution of 0.00125 cm⁻¹ with Fourier transform spectroscopy for the two lowest torsional states v₆=0 and 1. The cold band (v₅=1, v₆=0)←(v₅=0, v₆=0) showed no torsional splittings and looked much like a parallel band in a C_3v molecule. The hot band (v₅=1, v₆=1)←(v₅=0, v₆=1) consisted of three distinct subbands, one for each torsional sublevel σ=0, +1, and −1. For the state (v₅=1, v₆=1), the torsional splitting was increased from ∼0.001 cm⁻¹ to ∼0.022 cm⁻¹ by torsion-mediated Fermi-type interaction primarily with the dark state (v₅=0, v₆=5). The effects of this coupling on the spectrum are striking in spite of the fact that the two interacting states are ∼100 cm⁻¹ apart and differ by four units in v₆. The large amplitude character of the state (v₅=0, v₆=5) is seen to be largely responsible for the unusual (k, σ) dependence of the energies in the state (v₅=1, v₆=1). The pure rotational spectrum in the state (v₅=1, v₆=0) has been measured between ∼50 and 370 GHz with Doppler-limited resolution; no σ-splitting was detected. The 3590 infrared and mm-wave frequencies measured here have been analyzed together with the 1494 measurements reported earlier by Wang et al. in an analysis of the vibrational ground state (2001, J. Mol. Spectrosc.205, 146-163). A good fit was obtained here by varying 36 parameters in a Hamiltonian which takes into account the interaction between the torsional stacks of levels for v₅=0 and 1, as well as the (A₁−A₂) splittings measured earlier for v₅=0. The explicit treatment of the interstack interactions is shown to lead to significant changes in the parameters (V_0,3, V_0,6) that characterize the torsional potential for v₅=0. These changes have been explained quantitatively by examining the contact transformation that is implicitly applied when the interstack coupling is neglected.     

Integrability of AdS3×S3 Superstring

From the κ symmetric action of IIB string in AdS₃×S³ background given by Rahmfeld and Rajaraman, we derive the equations of motion. Then using the twisted dual transformation which was introduced by Hou et al. We construct the flat currents, and hence conserved non-local charge with one free parameter, for the Green-Schwarz superstring in AdS₃×S³. Thus we show the AdS₃×S³ string is integrable.     

Influence of hydrothermally modified γ-Al2O3 on the properties of NiMo/γ-Al2O3 catalyst

The influence of hydrothermal modification of γ-Al₂O₃ on the properties of NiMo/γ-Al₂O₃ catalyst was investigated in this paper. The experimental results showed that the use of the modified γ-Al₂O₃ in the preparation of the NiMo/γ-Al₂O₃ catalyst led to the increase of the dispersion of the surface Mo and Ni oxides, favored the formation of the poly-molybdates and promoted the reduction of the active Mo oxides owing to the increase of the surface acidity of the modified γ-Al₂O₃. Therefore, the NiMo/γ-Al₂O₃ catalyst supported on the modified γ-Al₂O₃ exhibited a higher hydrodenitrogenation (HDN) activity than that supported on the untreated γ-Al₂O₃ in the temperature range of 300-340 °C.     

Diode-laser measurements and calculations of H2-broadening coefficients in the ν3 band of CH3D

Using a tunable diode-laser spectrometer, we have measured at room temperature the H₂-broadening coefficients of for 36 lines belonging to QP and QR branches in the ν₃ parallel band. The recorded lines with J values ranging from 1 to 15 and K from 0 to 9 (K?J) are located between 1196 and 1412 cm⁻¹. The H₂-broadening coefficients were determined by fitting each spectral line with Voigt, Rautian, and Galatry profiles. They were also calculated on the basis of a semiclassical model of interacting linear molecules performed by considering in addition to the weak electrostatic contributions the atom-atom Lennard-Jones potential. The theoretical results are in reasonable agreement with the experimental data, except for high J transitions where they are overestimated and for K approaching or equal to J with J?3 where they are underestimated. The latter discrepancy may be caused by the assumption to consider only ΔK=0 collision-induced transitions, associated with |ΔJ| transitions up to 4.     

Synthesis and properties of Au-Fe3O4 and Ag-Fe3O4 heterodimeric nanoparticles

Monodisperse Au-Fe 3 O 4 heterodimeric nanoparticles (NPs) were prepared by injecting precursors into a hot reaction solution.The size of Au and Fe 3 O 4 particles can be controlled by changing the injection temperature.UV-Vis spectra show that the surface plasma resonance band of Au-Fe 3 O 4 heterodimeric NPs was evidently red-shifted compared with the resonance band of Au NPs of similar size.The as-prepared heterodimeric Au-Fe 3 O 4 NPs exhibited superparamagnetic properties at room temperature.The Ag-Fe 3 O 4 heterodimeric NPs were also prepared by this synthetic method simply using AgNO 3 as precursor instead of HAuCl 4.It is indicated that the reported method can be readily extended to the synthesis of other noble metal conjugated heterodimeric NPs.     

Relativistic calculations of 3s2 1S0-3s3p 1P1 and 3s2 1S0-3s3p 3P1,2 transition probabilities in the Mg isoelectronic sequence

Using the multi-configuration Dirac-Fock self-consistent field method and the relativistic configuration-interaction method,calculations of transition energies,oscillator strengths and rates are performed for the 3s 2 1 S 0-3s3p 1 P 1 spinallowed transition,3s 2 1 S 0-3s3p 3 P 1,2 intercombination and magnetic quadrupole transition in the Mg isoelectronic sequence(Mg I,Al II,Si III,P IV and S V).Electron correlations are treated adequately,including intravalence electron correlations.The influence of the Breit interaction on oscillator strengths and transition energies are investigated.Quantum electrodynamics corrections are added as corrections.The calculation results are found to be in good agreement with the experimental data and other theoretical calculations.     

Effects of K4CuNb8O23 on phase structure and electrical properties of K0.5Na0.5NbO3–LiSbO3 lead-free piezoceramics

Dense K₄CuNb₈O₂₃ (KCN) modified 0.948K_0.5Na_0.5NbO₃–0.052LiSbO₃ (KNNLS) ceramics were prepared by conventional solid state reaction method. The effect of addition of K₄CuNb₈O₂₃ liquid phase sintering aid on the phase structure and electrical properties of ceramics was studied. Results showed that K₄CuNb₈O₂₃ induced a perovskite structure transition from coexistence of orthorhombic and tetragonal phases to orthorhombic symmetry. The addition of K₄CuNb₈O₂₃ promoted the sintering of KNNLS ceramics. In particular, the K₄CuNb₈O₂₃ addition to the KNNLS greatly improved the mechanical quality factor Q_m value. The ceramics with x=0.8 sintered at 1090 °C possess the optimum properties (Q_m=192, d₃₃=135 pC/N, tan δ=0.024 and k_p=0.357). These results indicate that the ceramic is a promising candidate for lead-free high-power piezoelectric devices, such as piezoelectric actuators, transformers and filter materials.     

La2/3Ca1/3MnO3/Eu2CuO4/La2/3Ca1/3MnO3磁性隧道结的制备与表征

采用磁控溅射，紫外线光刻和离子束刻蚀制备了La_2/3Ca_1/3MnO₃/Eu₂CuO₄/La_2/3Ca_1/3MnO₃磁性隧道结.通过对获得的磁性隧道结的I-V特性测量，发现非线性的I-V特性，显示结样品的隧穿特性.有趣的是发现在电极材料La_2/3Ca_1/3MnO₃的金属-绝缘体转变温度(Tp)以下，I-V曲线出现一个跳变.随着温度降低，开始出现跳变的临界电流增大，但是跳变都发生在同样的电压下～209mV.当电流增大或减小在跳变点附近出现回滞.这一跳变只发生在铁磁金属态，表明这是一个磁性相关联的效应，可能对应一种新的磁性开关过程.虽然，目前对这一现象背后的物理机理还不清楚，但是，这一现象有可能在未来自旋电子学器件方面具有潜在的应用价值. 关键词： 庞磁电阻 磁性隧道结 开关效应     

The high-resolution FTIR spectrum of the ν6 band of C2H3D

The absorption spectrum of the ν₆ band of C₂H₃D centered near 1125.27674 cm⁻¹ in the 1100-1250 cm⁻¹ region was recorded with an unapodized resolution of 0.0063 cm⁻¹ using a Fourier transform infrared (FTIR) spectrometer. A total of 947 infrared transitions of the A-B hybrid-type band were assigned and fitted to upper-state (ν₆ = 1) rovibrational constants using a Watson’s A-reduced Hamiltonian in the I^r representation up to eighth-order centrifugal distortion terms. The b-type infrared transitions of the band were analyzed for the first time. The root-mean-square deviation of the fit was 0.00062 cm⁻¹. The ground-state rovibrational constants up to eighth-order terms were also obtained by a fit of 617 combination differences from the present infrared measurements, simultaneously with 21 microwave frequencies with a root-mean-square deviation of 0.00055 cm⁻¹. From this work, the upper-state (ν₆ = 1) and ground-state constants of C₂H₃D were derived with the highest accuracy, so far. The a- and b-type transitions of the hybrid ν₆ band were found to be relatively free from local frequency perturbations. The ratio of the a- to b-type vibrational dipole transition moments (μ_a/μ_b) was found to be 1.05 ± 0.10. From the ν₆ = 1 rovibrational constants obtained, the inertial defect Δ₆ was calculated to be 0.3570 ± 0.0008 μŲ.     

Detection of3T1?3T2 and3T1?3A2 transitions of Ni by conventional Fourier transform infrared FT-IR spectroscopy

A FT-IR spectroscopic study was carried out in the region 4000–400 cm^–1 for ZnSeNi and ZnSNi at room temperature. The data obtained were examined on the basis of the energy states calculations of the (3d)ⁿ configuration, based on the defect molecule approach. The present investigation reveals the transition from the ground state to the first two excited states namely³T₁–³A₂ and³T₁–³T₂ of Ni⁺² (d⁸).     

Investigation of structural,physical and optical properties of CeO2–Bi2O3–B2O3 glasses

xCeO₂–30Bi₂O₃–(70−x) B₂O₃ glasses are synthesized by using the melt quench technique. A number of studies such as XRD, density, molar volume, optical band gap, refractive index and FTIR spectroscopy are employed to characterize the glasses. The band gap decreases from 2.15 to 1.61 eV, refractive index increases from 2.67 to 2.93 and density increases from 4.151 to 4.633 g/cm³. The decrease in band gap with CeO₂ doping approaches the semiconductor behavior. FTIR spectroscopy reveals that incorporation of CeO₂ into glass network helps to convert the structural units of [BO₃] into [BO₄] and results in Bi–O bond vibration of [BiO₆].     

Electronic and thermodynamic properties of α-Pu2O3

Based on density functional theory+U$\text{density functional theory}+U$ calculations and the quasi-annealing simulation method, we obtain the ground electronic state for α-Pu₂O₃ and present its phonon dispersion curves as well as various thermodynamic properties, which have seldom been theoretically studied because of the huge unit cell. We find that the Pu–O chemical bonding is weaker in α-Pu₂O₃ than in fluorite PuO₂, and subsequently a frequency gap appears between oxygen and plutonium vibration density of states. Based on the calculated Helmholtz free energies at different temperatures, we further study the reaction energies for Pu oxidation, PuO₂ reduction, and transformation between PuO₂ and α-Pu₂O₃. Our reaction energy results are in agreements with available experiment. And it is revealed that high temperature and insufficient oxygen environment are in favor of the formation of α-Pu₂O₃.     

Magnetic properties of nanosized γ-Fe2O3 and α-(Fe2/3Cr1/3)2O3, prepared by thermal decomposition of heterometallic single-molecular precursor

Thermal decomposition of the trinuclear complex [Fe₂CrO(CH₃COO)₆(H₂O)₃]NO₃ at 300, 400 and 500 °C gave γ-Fe₂O₃ nanoparticles along with amorphous chromium oxide, while decomposition of the same starting compound at 600 and 700 °C led to the formation of α-(Fe_2/3Cr_1/3)₂O₃ nanoparticles. Size of γ-Fe₂O₃ nanoparticles, determined by X-ray diffraction, was in the range from 9 to 11 nm and increased with formation temperature growth. Average size of α-(Fe_2/3Cr_1/3)₂O₃ nanoparticles was about 40 nm and almost did not depend on the temperature of its formation. γ-Fe₂O₃ nanoparticles possessed superparamagnetic behavior with blocking temperature 180-250 K, saturation magnetization 29-35 emu/g at 5 K, 44-49 emu/g at 300 K and coercivity 400-600 Oe at 5 K. α-(Fe_2/3Cr_1/3)₂O₃ nanoparticles were characterized by low magnetization values (2.7 emu/g at 70 kOe). Such magnetic properties can be caused by non-compensated spins and defects present on the surface of these nanoparticles. The increase of α-(Fe_2/3Cr_1/3)₂O₃ formation temperature led to decrease of magnetization (being compared for the same fields), which may be caused by decrease of the quantity of defects or non-compensated spins (due to decrease of particles' surface).     

Effect of polarization on the intensity of anomalous electron emission in the (1 ? x)PbMg1/3Nb2/3O3 + xPbTiO3 system

Spectra of anomalous electron emission from the surface of solid solutions in the (1 − x)PbMg_1/3Nb_2/3O₃ + xPbTiO₃ system with x = 0.06, 0.10, 0.13, 0.20, and 0.25 have been studied. While the energy characteristics of the anomalous electron emission spectra vary monotonically with x, the behavior of integrated intensity was found to be nonmonotonic with a maximum occurring at x = 0.1. According to the proposed interpretation, the results obtained are explained by the effect of the potential barrier on the electron emission; the potential barrier depends, in turn, on the permittivity ε of the samples. Original Russian Text ? A.T. Kozakov, A.V. Nikol’skiĭ, V.P. Sakhnenko, A.N. Pavlov, V.G. Smotrakov, V.V. Eremkin, 2009, published in Fizika Tverdogo Tela, 2009, Vol. 51, No. 7, pp. 1310–1314.     

High resolution study of the 3ν1 band of SO2

The second overtone band 3ν₁ of sulfur dioxide has been studied for the first time with high resolution rotation-vibration spectroscopy. About 3000 transitions involving about 900 upper state energy levels with have been assigned to the 3ν₁ band. In the analysis, an effective Hamiltonian taking into account accidental interactions between the vibrational states (3 0 0), (2 2 0), and (0 4 1) was used. The Watson operator in A-reduction and I^r representation was used in the diagonal blocks of the Hamiltonian. As the result of analysis a set of parameters reproducing the initial experimental data with the rms = 0.00028 cm⁻¹ was obtained.     

Low-field magnetization of ludwigites Co3O2BO3 and Co3 ? xFexO2BO3 (x ≈ 0.14)

Ludwigite single crystals of compositions Co₃O₂BO₃ and Co_{3 − x} Fe _x O₂BO₃ (x ≈ 0.14) have been synthesized. The crystal structure is investigated at room temperature, and the magnetization is studied in the temperature range T = 4.2–100 K in magnetic fields of up to 600 Oe. The orthorhombic symmetry is revealed, and the unit cell parameters are determined. A number of features are established for the temperature dependence of the magnetization. In unsubstituted Co₃O₂BO₃, two magnetic transitions are found at T _C1 = 43 K and T _C2 = 15 K. At temperatures below 40 K, spin-glass state is revealed. Substitution of iron ions for cobalt ions leads to a noticeable shift in the magnetic transitions toward the high-temperature range: T _C1 = 83 K and T _C2 = 74 K. A ferromagnetic ordering of the P type is found in the Co_{3 − x} Fe _x O₂BO₃ (x ≈ 0.14) compound. Original Russian Text ? N.V. Kazak, N.B. Ivanova, V.V. Rudenko, A.D. Vasil’ev, D.A. Velikanov, S.G. Ovchinnikov, 2009, published in Fizika Tverdogo Tela, 2009, Vol. 51, No. 5, pp. 916–919.     

Exchange bias behavior of monodisperse Fe3O4/γ-Fe2O3 core/shell nanoparticles

We have carried out systematic studies on well-characterized monodisperse Fe₃O₄/γ-Fe₂O₃ core/shell nanoparticles of 2-30 nm having a very narrow size distribution and possessing a uniquely mono-layer of surface γ-Fe₂O₃. This unique core-shell structure, probably having a disordered magnetic surface state, leads us to three key observations of unusual magnetic properties: i) a very large magnetic exchange anisotropy reaching over 7 × 10⁶ erg/cm³ for the smaller particles, ii) exchange bias behavior in the magnetization data of the core/shell Fe₃O₄/γ-Fe₂O₃ nanoparticles, and iii) the temperature dependence of the coercive field following an unusual exponential behavior.     

The ν3 fundamental band of HDCO

The ν₃ fundamental band (CO stretch) of HDCO at 1724 cm^?1 has been studied using both conventional infrared absorption and CO laser Stark spectroscopy. In addition to the excited-state (v₃ = 1) rotational constants, improved constants for the ground state of HDCO have been obtained by combining previous microwave data with some infrared combination differences. The following constants were determined:

     

19.

Structural investigation of the BaSnO₃–YBa₂Cu₃O_7−x system     

S. Nagao  P. Mele  K. Matsumoto  A. Ichinose  M. Mukaida  Y. Yoshida  S. Horii  R. Kita 《Physica C: Superconductivity and its Applications》2010,470(20):1304-1307

We report the microstructure change of BaSnO₃ (BSO)–YBa₂Cu₃O_7−x (YBCO) thin film system grown on SrTiO₃ single crystal substrates by pulsed laser deposition with using the “surface-modified-target” and “mixture-target” methods. Although it was confirmed that the thick BSO nanorods incorporated to YBCO films act as strong artificial pinning centers, the formation mechanism of the nanorods is still unclear. The purpose of this work is to extend the structural investigation to higher contents of BSO (up to 71 vol.%) in order to enlighten the relationship among interfacial energy, morphology and pinning performance in binary BSO–YBCO films.     

20.

Piezoresponse force microscopy and magnetic force microscopy characterization of γ-Fe₂O₃-BiFeO₃ nanocomposite/Bi_3.25La_0.75Ti₃O₁₂ multiferroic bilayers     

Olivier Gautreau  Lina Gunawan  M.P. Singh  Gianluigi A. Botton 《Journal of magnetism and magnetic materials》2009,321(11):1799-1802

The multiferroic behavior of epitaxial γ-Fe₂O₃-BiFeO₃ (composite)/Bi_3.25La_0.75Ti₃O₁₂ bi-layered heterostructures grown on SrRuO₃/SrTiO₃ (1 1 1) substrates has been studied using piezoresponse force microscopy, magnetic force microscopy and magnetometry. The ferroelectric domain structure is ascribed to the BiFeO₃ phase while the magnetism originates in the γ-Fe₂O₃ phase of the composite layer. Our studies demonstrate the presence and switching of magnetic and ferroelectric domains within the same area of the sample. This confirms the presence of multiferroic behavior at the nanoscale in our γ-Fe₂O₃-BiFeO₃ nanocomposite thin films.     

Constant	Ground state	$\text{v}{}_3\text{= 1}$ state	Units
$\text{ν}{}_0$		1724.267	cm?1
$\text{A}$	198 119.75	198 210.4	MHz
$\text{B}$	34 910.646	34 676.6	MHz
$\text{C}$	29 561.488	29 331.3	MHz
$\text{μ}{}_{\mathrm{a}}$	2.3302	2.3486	D
$\text{μ}{}_{\mathrm{b}}$	0.195	0.190	D

Structural investigation of the BaSnO3–YBa2Cu3O7−x system

We report the microstructure change of BaSnO₃ (BSO)–YBa₂Cu₃O_7−x (YBCO) thin film system grown on SrTiO₃ single crystal substrates by pulsed laser deposition with using the “surface-modified-target” and “mixture-target” methods. Although it was confirmed that the thick BSO nanorods incorporated to YBCO films act as strong artificial pinning centers, the formation mechanism of the nanorods is still unclear. The purpose of this work is to extend the structural investigation to higher contents of BSO (up to 71 vol.%) in order to enlighten the relationship among interfacial energy, morphology and pinning performance in binary BSO–YBCO films.     

Piezoresponse force microscopy and magnetic force microscopy characterization of γ-Fe2O3-BiFeO3 nanocomposite/Bi3.25La0.75Ti3O12 multiferroic bilayers

The multiferroic behavior of epitaxial γ-Fe₂O₃-BiFeO₃ (composite)/Bi_3.25La_0.75Ti₃O₁₂ bi-layered heterostructures grown on SrRuO₃/SrTiO₃ (1 1 1) substrates has been studied using piezoresponse force microscopy, magnetic force microscopy and magnetometry. The ferroelectric domain structure is ascribed to the BiFeO₃ phase while the magnetism originates in the γ-Fe₂O₃ phase of the composite layer. Our studies demonstrate the presence and switching of magnetic and ferroelectric domains within the same area of the sample. This confirms the presence of multiferroic behavior at the nanoscale in our γ-Fe₂O₃-BiFeO₃ nanocomposite thin films.