Установка для получения изотоиа В10 методом обменной дистилляции комплекса (CH3)2O.BF3 1)

Zur Gewinnung der Neonisotope in gröβeren Mengen ist die Gegenstromdestillation bei 28 K die geeingnetste Methode. Um das Verfahren ökonomisch durchzuführen, wurden Verdampfer und Kondensator mit dem Neonkältekreislauf gekoppelt. Die Schüttung der KOlonne besteht aus V2A-Wendeln (1,6 mm × 1,8 mm × 0.2 mm) und hat eine Höhe von 6000 mm. Bei zweimaliger Destillation wurden folgende Konzenbtrationen eereicht: für ²²Ne 99,3% (maximal 99,5%), für ²⁰Ne 99,97–99,99%. ²⁴Ne wurde auf 1.2% (d. h. etwa das Vierfache der natürlichen Konzentration) angereichert.     

Electrical transport in La1−x Ca x MnO3 thin films at low temperatures

We report here the low-temperature resistivity of the chemical solution deposited La_1−x Ca _x MnO₃ (x=0.2, 0.3 and 0.33) thin films on LaAlO₃ substrates. The films were post-annealed in atmosphere at 850°C. The low temperature resistivity data has been studied in order to understand the nature of low-temperature conduction processes. The data showed T ² dependence from 60 K to 120 K consistent with the single magnon scattering process. The deviation from this quadratic temperature dependence at low temperatures is attributed to the collapse of the minority spin band. The two-magnon and electron-phonon processes contribute to scattering of carriers in the temperature range above 120 K.     

Temperature dependence of Bi2O3 structural parameters close to the α–δ phase transition

This article presents the results of in situ X-ray powder diffraction, Raman spectroscopy, and electrical impedance spectroscopy of the α-phase of Bi₂O₃, at 0.1 MPa in the temperature range below and above the α–δ-phase transition. This work demonstrated subtle nonlinear temperature variations of the cell parameters, of the hard-mode Raman shift, and of the activation energy of electrical conductivity in the temperature range about 100–120°C below the α–δ phase transition temperature T _Tr ≈ 725°C in Bi₂O₃. At T < 600°C, the linear variation of the inverse dielectric susceptibility (χ ^?1) correlates well with the hard mode frequency shift Δ(ω ²) of Raman A_1g mode as Δ(χ ^?1)/Δ(ω ²) ≈ 5.5 × 10^?7 cm². A structural model describing the mechanism of O^2? anion distribution and electric dipole disordering in the vicinity of T _Tr is discussed.     

Cd0.9Zn0.1Te晶体的Cd气氛扩散热处理研究

将生长得到的Cd_0.9Zn_0.1Te晶体在Cd气氛下及不同的温度条件下进行了退火处理. 借助已建立的退火处理过程中Cd_1-xZn_xTe晶体材料电阻率及导电类型变化和扩散杂质的扩散系数之间关系的模型，结合实验数据，获得了1073K，973K和873K下Cd在Cd_0.9Zn_0.1Te晶体中的扩散系数，并估算了其激活能. 通过使用获得的扩散系数，研究了在不同温度及饱和Cd气氛下，退火时间对Cd_0.9Zn_0.1Te晶体电阻率分布及导电类型等的变化的影响.     

Thermoelectric power factor of RuSr2GdCu2O8

The influence of thermal treatment between 1273 and 1333?K in an oxygen atmosphere on the perovskite system RuSr₂GdCu₂O₈ was studied by X-ray diffraction (XRD), scanning electron microscopy, electrical resistivity and Seebeck coefficient measurements. The XRD patterns revealed that the phase purity depends on the sintering process. The samples were found to exhibit very small crystallite sizes in the nanometer range. The electrical resistivity was found to be strongly correlated with the heat treatment. The temperature dependence of electrical resistivity for one sample revealed semiconducting behavior, whereas the others exhibit metallic behavior. All the investigated samples exhibit a positive thermoelectric power, indicating the predominance of positive charge carriers. It was found that the power factor reaches a maximum value of 0.4?×?10^?4?W?m^?1?K^?2 at 300?K.     

The B 2Σ+–X 2Σ+ Transition of 12C17O+: The 2‐υ″ Progression

Abstract

Three new bands of the B ²Σ⁺–X ²Σ⁺ system of ¹²C¹⁷O⁺ have been investigated using conventional spectroscopic techniques. The spectra were observed in a graphite hollow‐cathode lamp by discharging molecular oxygen (enriched in about 45% of the ¹⁷O₂ isotope) under 1.0 Torr pressure. The rotational analysis of the 2–4, 2–5, and 2–6 bands was performed with the effective Hamiltonian of Brown (Brown et al., J. Mol. Spectrosc. 1979; 74: 294–318). Molecular constants were derived from a merge calculation, including both the current wavenumbers and the spectroscopic data published by the authors previously. The principal equilibrium constants for the ground state of ¹²C¹⁷O⁺ are ω_e=2185.9658(84), ω_e x _e = 14.7674(11), B _e=1.927001(38), α_e=1.8236(22)×10^?2, γ_e=?0.331(28)×10^?4, D _e=6.041(12)×10^?6, β_e=0.100(31)×10^?7 cm^?1, and the equilibrium constants for the excited state are σ_e=45876.499(15), ω_e=1712.201(12), ω_e x _e=27.3528(39), B _e=1.754109(35), α_e=2.8706(57)×10^?2, γ_e = ?1.15(19)×10^?4, D _e=7.491(20)×10^?6, β_e=2.13(12)×10^?7, γ_e = 2.0953(97)×10^?2, and α_γe=?9.46(59)×10^?4 cm^?1, respectively. Rydberg–Klein–Rees potential energy curves were constructed for the B ²Σ⁺ and X ²Σ⁺ states of this molecule, and Franck–Condon factors were calculated for the vibrational bands of the B–X system.     

Charge states of the activator and size effects in BaF2: Eu nanophosphors

ABSTRACT

According to the spectra of stationary X-ray excited luminescence (XEL) of BaF₂: Eu nanophosphors at 80 and 294 K, it was revealed that the thermal annealing of fine-grained nanoparticles (d?=?35?nm) in the range of 400–1000°C, which is accompanied by an increase of their sizes in the range of 58–120?nm, does not result in effective changes of the charge state of Eu^{3 +} → Eu^{2 +} activator, in contrast to CaF₂: Eu nanoparticles. The maximum light output of X-ray excited luminescence of BaF₂: Eu nanophosphors in the 590?nm emission band of Eu³⁺ ion was observed at an annealing temperature of 600°C with the average size of nanoparticles 67?nm. The subsequent growth of annealing temperatures, especially in the range of 800–1000°C, causes decrease in the light output of X-ray excited luminescence due to the increase of defect concentration in the lattice as a result of sharp increase of nanoparticle sizes and their agglomeration. In BaF₂: Eu nanoparticles of 58?nm size, according to the thermostimulated luminescence (TSL) spectrum, transformation of Eu³⁺ → Eu²⁺ under the influence of long-time X-ray irradiation was revealed for the peak of 151?K. Thus, X-ray excited luminescence spectra of BaF₂: Eu nanophosphors are formed predominantly due to the emission of Eu³⁺ ions, while emission of Eu²⁺ ions is observed in the TSL spectra.     

Die Anwendung der “Neutronenhaubitze” zur Borbertimmung in Glas

Die bei der ¹⁰B (n, α) ⁷ Li-Reaktion entstehende prompte Strahlung von E_γ = 478 ke V bildet die Grundlage für zerstörungsfreie und quantitative Bestimmung von Bor in Glas. Es wird eine als “Neutronenhaubitze” bezeichnete Bestrahlungseinrichtung beschrieben, die mit einer ²¹¹ Am-Be-Neutronenquelle von 5 Ci ausgerüstet ist. Damit lassen sich bei 10 min Meβzeit im Konzentrationsbereich 5· · ·25 Masse-% Aanlysenfehler ∠2% relativ erreichen.     

First-principles study of structural,elastic, electronic and thermodynamic properties of topological insulator Bi2Se3 under pressure

The structural, elastic, electronic and thermodynamic properties of the rhombohedral topological insulator Bi₂Se₃ are investigated by the generalized gradient approximation (GGA) with the Wu–Cohen (WC) exchange-correlation functional. The calculated lattice constants agree well with the available experimental and other theoretical data. Our GGA calculations indicate that Bi₂Se₃ is a 3D topological insulator with a band gap of 0.287 eV, which are well consistent with the experimental value of 0.3 eV. The pressure dependence of the elastic constants C_ij, bulk modulus B, shear modulus G, Young’s modulus E, and Poisson’s ratio σ of Bi₂Se₃ are also obtained successfully. The bulk modulus obtained from elastic constants is 53.5 GPa, which agrees well with the experimental value of 53 GPa. We also investigate the shear sound velocity V_S, longitudinal sound velocity V_L, and Debye temperature Θ_E from our elastic constants, as well as the thermodynamic properties from quasi-harmonic Debye model. We obtain that the heat capacity C_v and the thermal expansion coefficient α at 0 GPa and 300 K are 120.78 J mol^?1 K^?1 and 4.70 × 10^?5 K^?1, respectively.     

Phase transitions and energy storage properties of some compositions in the (1−x)Li2SO4–xNa2SO4 system

In the binary system (1?x)Li₂SO₄–xNa₂SO₄, the solid–solid phase transitions and energy storage properties of Li₂SO₄, Na₂SO₄, the binary compound LiNaSO₄ and two eutectoids (E₁: 0.726Li₂SO₄–0.274Na₂SO₄; E₂: 0.03Li₂SO₄–0.97Na₂SO₄) were investigated by X-ray diffraction and differential scanning calorimetry. Li₂SO₄ has a solid–solid phase transition at 578 °C with the transition enthalpy 252 J g^?1. The binary compound LiNaSO₄ gives a slightly lower enthalpy value, 214 J g^?1 and its transition temperature is clearly reduced to 514 °C. The transition enthalpy of the eutectoid E₁ is maintained to 177 J g^?1 and its transition temperature is further reduced to 474 °C. Li₂SO₄, LiNaSO₄ and the eutectoid E₁ are applicable phase transition materials because of their large transition enthalpies. The enthalpies of Na₂SO₄ and the eutectoid E₂ are not very high (～45 J g^?1), but their transition temperatures are quite low (～250 °C); thus their transition properties may be applied at such low temperatures.     

Materialuntersuchungen mit Hilfe der elastischen Streuung harter γ-Strahlung

Es wird über Untersuchungen berichtet, die die Ausnutzung der elastischen Streung harter γ-Strahlung für Gehaltsbestimmungen in Zweikomponentensystemen zum Ziel haben. Der bei Quantenenergien von etwa 1 MeV vorherrschende elastische Streueffekt, die Rayleigh-Streuung, zeichnet sich durch eine starke Z-Abhängigkeit aus. Allerdings nimmt der Wirkungsquerschnitt n für kleine Streuwinkel (?10°) Werte an, die für praktische Anwendungen genügend groβ sind. Bei Verwendung eines Szintillationsdetektors ist in diesen Bereich eine Abtrennung der Compton-Streuung nicht mehr möglich.

Es wird gezeigt, daβ auch bei Messung des summarischen Wirkungsquerschnitts (elastisch + unelastisch) eine Abhängigkeit von der Kernladungszahl stärker als Z² erreicht werden kann. Die Messungen wurden mit ²⁰³Hg (E_γ = 279 keV) und ¹³⁷Cs (E_γ = 661 keV) durchgeführt. Die Verwendung der härteren Strahlung des ¹³⁷Cs bringt gegenüber der weicheren des ²⁰³Hg trotz gröβerer experimenteller Schwierigkeiten einige wesentliche Vorteile.     

The charge states’ conversion of the activator ions in CaF2:Eu nanophosphors

According to stationary X-ray-excited luminescence spectra and thermally stimulated luminescence spectra of CaF₂:Eu nanophosphors, it was found that Eu³⁺?→?Eu²⁺ conversion can occur during thermal annealing of fine-grained (d?=?25?nm) nanoparticles in the 200–800°C range, which is accompanied by an increase in their size within 40–189?nm. An important role of the exciton mechanism of Eu²⁺ luminescence excitation was revealed according to the temperature dependence of X-ray-excited luminescence spectra of CaF₂:Eu nanoparticles of 114?nm size. The maximum of the X-ray-excited luminescence light output of CaF₂:Eu nanophosphors in the Eu²⁺ ions’ emission band was traced out at 400–500°C annealing temperature and at the size of nanoparticles of 114–180?nm. The subsequent growth of the annealing temperatures, particularly in the 800–1000°C range, causes the reduction of X-ray-excited luminescence light output because of the increment of lattice defects’ concentration due to a sharp increase in the size of nanoparticles and their agglomeration.     

Über die Anreicherung des Stabilen Isotops 34S im System Hydrogensulfit/Schwefeldioxid, 2. Mitt.: Das System NH4HSO3/SO2

Es wurde im System NH₄HSO₃/SO₂ die Abhängigkeit des Gesamttrennfaktors für die ³¹S-Anreicherung von der NH₄HSO₃-Konzentration und bei Temperaturen von 20 °C und 80 °C untersucht. Für den elementaren Trennfaktor wurde bei 20 °C eine Abhängigkeit von der NH₄HSO₃-Konzentration festgestellt, während er bei 80 °C für 3…10 Mol NH₄HSO₃/l ～ = 1,007 beträgt. Die Trennstufenhöhen lagen bei 20 °C zwischen 1,23 cm und 5,55 cm und bei 80 °C zwischen 0,93 cm und 2,12 cm.     

The ro-vibrational analysis of the v4 fundamental band of CF3Br from jet-cooled diode laser and FTIR spectra in the 8.3-μm region

The v₄ fundamental band of CF₃⁷⁹Br and CF₃⁸¹Br, present in natural isotopic abundance, was investigated in the 8.3-μm region by high-resolution infrared spectroscopic techniques. Tuneable diode laser spectra were recorded in the ranges 1202.5–1205.0 cm^?1, 1208.0–1210.1 cm^?1 and 1212.5–1214.5 cm^?1. The tuneable diode laser spectra were obtained at the reduced temperature of 200 K and in a free-jet expansion. The latter technique was used to reduce spectral congestion, achieving a rotational temperature of about 50 K, with a resolution up to 0.0008 cm^?1. A Fourier transform infrared spectrum covering the entire spectral region of the v₄ band, between 1190 and 1220 cm^?1, was recorded at 298 K with a resolution of 0.004 cm^?1. The experimental wavenumbers from the different spectroscopic techniques were combined to accomplish the complete ro-vibrational analysis of v₄. In total, 4651 transitions were assigned to CF₃⁷⁹Br, 4047 to CF₃⁸¹Br, with J″_max? = K″_max?=80; of these, 3171 for CF₃⁷⁹Br and 2755 for CF₃⁸¹Br are from diode laser measurements. The data of each isotopologue were analysed using the model Hamiltonian for a degenerate vibrational state of a molecule of C_3v symmetry. The v₄ band of both the isotopologues resulted essentially unperturbed, but the Δl = Δk = ±2 l-resonance was found to be active within the v₄ = 1 state. Precise values of the vibrational energy and of the ro-vibrational parameters of v₄ = 1 for CF₃⁷⁹Br and CF₃⁸¹Br were obtained. The bromine isotopic splitting amounts to 6.9 × 10^?3 cm^?1. In addition, the equilibrium geometry and the harmonic force field were calculated ab initio using the large-size basis set def2-QZVP in conjunction to the PBE0 functional.     

Effect of Al doping on structural,optical and electrical properties of SnO2 thin films synthesized by pulsed laser deposition

Aluminium-doped (Al = 0–5?wt.%) SnO₂ thin films with low-electrical resistivity and high optical transparency have been successfully synthesized by pulsed laser deposition technique at 500 °C. Structural, optical and electrical properties of the as-deposited and post-annealed thin films were investigated. X-ray diffraction patterns suggest that the films transform from crystalline to amorphous state with increasing aluminium content. The root mean square (R_q) surface roughness parameter, determined by atomic force microscopy decreases upon annealing of the as-deposited film. While resistivity of the film is the lowest (9.49 × 10^?4 Ω-cm) at a critical doping level of 1?wt.% Al, optical transparency is the highest (nearly 90%) in the as-deposited condition. Temperature dependence of the electrical resistivity suggests that the Mott’s variable range hopping process is the dominant carrier transport mechanism in the lower temperature range (40–135 K) for all the films whereas, thermally activated band conduction mechanism seems to account for conduction in the higher temperature region (200–300 K).     

Investigations on the EPR parameters and tetragonal distortions for Cu2+ in alkali lead tetraborate glasses

The electron paramagnetic resonance parameters (g factors and hyperfine structure constants) and local structures are theoretically investigated for Cu²⁺ in alkali lead tetraborate 90R₂B₄O₇·9PbO·CuO (R = Li, Na and K) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d⁹ complex. The [CuO₆]^10? complexes are found to experience the relative tetragonal elongation ratios 18%, 23% and 30% for R = Li, Na and K, respectively, due to the Jahn–Teller effect, much larger than those for similar ARbB₄O₇ (A = Li, Na and K) glasses. This point is attributed to the lattice expansion (longer A–O bond lengths) with doped PbO, yielding lower force constants and more intense Jahn–Teller elongations in the 90R₂B₄O₇·9PbO·CuO glasses. The increasing tendency (Li > Na > K) of the relative elongation ratio λ, covalency and the ratio Δg_///Δg_⊥ for g-shifts are systematically analysed in a uniform way.     

Recovery of electron irradiated α-Ti single crystals-A positron annihilation study

Single crystals of α-Ti were irradiated at 100 K with 6 MeV electrons to a fluence of 2 × 10²⁰ electrons/m². The irradiation damage and its thermally-activated recovery, in the range 100-800 K, was studied by positron annihilation spectroscopy using the Doppler-broadening technique. Notable features of the recovery spectrum are (1) a large drop in the vacancy-associated defect signal between 110 and 135 K and (2) an enhancement of the defect signal between 250 and 300 K. The first feature is associated with vacancy annihilation by migrating self-interstitials and the second with clustering by freely migrating vacancies.     

Theoretical studies of the defect structures and spin Hamiltonian parameters for manganese(II) and nickel(II) doped Zn(en)3(NO3)2 single crystals

The spin Hamiltonian parameters (g factors, hyperfine structure constants and zero-field splittings D and E) and local structures for Mn²⁺ and Ni²⁺ in [Zn(en)₃](NO₃)₂ single crystal are theoretically investigated from the perturbation calculations for trigonally distorted 3d⁵ and trigonally (or orthorhombically) distorted 3d⁸ cluster. The trigonal Mn²⁺ and Ni²⁺ centres are found to undergo the moderate angular variations Δβ of 4.5° and 5.2°, respectively, related to host Zn²⁺ site due to size mismatch. The orthorhombic Ni²⁺ centre shows the relative axial elongation ratio ρ (≈ 2.5%) and the relative perpendicular bond length variation ratio τ (≈0.2%). For Mn²⁺ centre, the contributions to g-shifts Δg_CT (or hyperfine structure constants A_CT and zero-field splitting D_CT) from charge-transfer (CT) mechanism are opposite in sign and five times (or 5% and 8%) in magnitude compared with those from crystal-field (CF) mechanism. For the trigonal Ni²⁺ centre, Δg_CT (or D_CT) are the same (or opposite) in sign and 17% (or 2%) in magnitude related to those from CF mechanism. For the orthorhombic Ni²⁺ centre, Δg_CT and E_CT (or D_CT) are same (or opposite) in sign and 16% and 48% (or 442%) in magnitude with respect to those from the CF mechanism. The signs and magnitudes of the trigonal distortion angles δβ (≈ ?0.3 and 0.4°) related to an ideal octahedron and the local angular variations Δβ related to the host bond angle are suitably illustrated by those of the axial distortion degree (ADD) and the angular variation degree (AVD) of the systems, respectively.     

Theory studies of the local lattice distortions and the EPR parameters for Cu2+, Mn2+ and Fe3+ centres in ZnWO4

The local lattice distortions and the electron paramagnetic resonance (EPR) parameters (g factors, hyperfine structure constants and zero-field splittings) for Cu²⁺, Mn²⁺ and Fe³⁺ in ZnWO₄ are theoretically studied based on the perturbation calculations for rhombically elongated octahedral 3d⁹ and 3d⁵ complexes. The impurity centres on Zn²⁺ sites undergo the local elongations of 0.01, 0.002 and 0.013 Å along the C₂ axis and the planar bond angle variations of 8.1°, 8.0° and 8.6° for Cu²⁺, Mn²⁺ and Fe³⁺, respectively, due to the Jahn–Teller effect and size and charge mismatch. In contrast to the host Zn²⁺ site with obvious axial elongation (～0.31 Å) and perpendicular (angular) rhombic distortion, all the impurity centres demonstrate more regular octahedral due to the above local lattice distortions. The copper centre exhibits significant Jahn–Teller reductions for the spin-orbit coupling and orbital angular momentum interactions, characterised by the Jahn–Teller reduction factor J (≈0.29 ? 1). The calculated EPR parameters agree well with the experimental results. The local structures of the impurity centres are analysed in view of the corresponding lattice distortions.     

SrB4O7:Sm2+: an optical sensor reflecting non-hydrostatic pressure at high-temperature and/or high pressure in a diamond anvil cell

A systematic investigation on the fluorescent spectra of SrB₄O₇:Sm²⁺ was performed in detail at high-temperature up to 623?K and/or high pressure up to 23.2?GPa with different pressure-transmitting media (PTMs), respectively. Combined with experiment data of previous research, the change of the ⁷D₀–⁵F₀ line (0–0 line) full width at half maximum (FWHM) of SrB₄O₇:Sm²⁺ under different pressure environments was specifically discussed. The results indicate that the FWHM of 0–0 line is sensitive to the non-hydrostatic pressure environment in 2-propanol, and methanol and ethanol mixture (ME) PTMs at ambient temperature. The first-order and the second-order derivation of the temperature dependence of 0–0 line FWHM at ambient pressure are 1.48(±0.21)?×?10^?4?nm/K and 9.63(±0.63)?×?10^?7?nm²/K² below 623?K. The 0–0 line FWHM is also sensitive to the non-hydrostatic pressure environment in ME at high-temperature and high pressure simultaneous, the non-hydrostatic transition pressures are 9.6?GPa at 323?K, 11.0?GPa at 373?K, 14.4?GPa at 423?K, respectively. SrB₄O₇:Sm²⁺ is recommended as an optical sensor to reflect the change of pressure environment in liquid media at high-temperature and/or high pressure.