Effect of pressure on the superconducting transition in Bi-Sr-Ca-Cu-O system

Abstract

The effect of pressure on T_c was studied on 110 K class Bi-Sr-Ca-Cu-O (1:1:1:2) compounds. T_c was varied with current in I^3/2 , and defined at the value extrapolated to zero current. dT_c /dP = + 0.18 K/kbar was obtained up to 10.9 kbars.     

The effect of ligands on the first hyperpolarizabilities of rich d electron molecular system: iridium clusters,a TDDFT study

A systematically varied series of tetrahedral iridium clusters have been studied using a TDDFT method focusing on their electronic and nonlinear optical properties. The clusters W₂Ir₂(CO)₁₀(η⁵-C₅H₄Me)₂ (1), WIr₃(μ-dppe)(CO)₉(η⁵-C₅H₄Me (2), W₂Ir₂(μ-L)(CO)₈(η⁵-C₅H₄Me)₂(L = dppe 3, dppf 4), Ir₄(μ-L)(CO)₁₀(L = dppm 5, dppe 6, Ph₂P(CH₂)₃PPh₂ 7, Ph₂P(CH₂)₄PPh₂ 8, (Ph₂P)₂CHMe 9), Ir₄(CO)₁₀(phen)(phen = 1,10-phenanthroline) (10) exhibit the first static hyperpolarizabilities of medium magnitude (β _tot ～ 10 × 10^?30esu). The origination of β is discussed in terms of the electronic structure calculation and the expanded orbital decomposition scheme. The result suggests the origination of β for all the clusters are mainly d–d electron transitions intra metal skeleton, and d–π* electron transitions from metals to carbonyls. For cluster 5, which contains the ferrocenyl group, the main origination of β involves charge transfer from d orbitals of ferrocene to d orbirals of Ir and W.     

IR SPECTRA OF Zn PHTHALOCYANINE AND Zn PHTHALOCYANINE-d 16 AND THEIR INTERPRETATION ON THE BASIS OF NORMAL COORDINATE ANALYSIS

IR spectrum of perdeuterated Zn phthalocyanine (ZnPc-d ₁₆) has been obtained and compared to that of non-deuterated ZnPc. For both cases normal coordinate analysis has been carried out, and the isotopic shifts on deuteration have been satisfactorily described. The form of the in-plane modes of the E_u symmetry type has been characterized by potential energy distribution.     

1H NMR Spectral Simplification with Achiral and Chiral Lanthanide Shift Reagents. Mexiletine

The 60 MHz ¹H NMR spectra of mexiletine, 1-(2,6-dimethylphenoxy)-2-propanamine, 1, have been studied at 28° in CDCl₃ solution with the achiral reagent, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato) europium(III), 2, Eu(FOD)₃, and the chiral reagents tris[3-(trifluoromethylhydroxymethylene)-d-camphorato]europium(III), 3, Eu(FACAM)₃, and tris[3-(heptafluoropropylhydroxymethylene)-d-camphorato]europium(III), 4, Eu(HFC)₃. Substantial lanthanide-induced shifts were seen for the proton signals of 1 with each reagent. Appreciable enantiomeric shift differences were seen for both methyl signals and for each of the CH₂CH proton signals using 3 and 4 that should permit direct determinations of enantiomeric excess for samples of 1. A predominant conformation for 1 is suggested based on observed splittings of the CH₂ proton signals and their relative lanthanide-induced shifts.     

Rovibrational constants for the ground state and ν8 = 1 state of ethylene-d3 (C2HD3) by high-resolution FTIR spectroscopy

The Fourier transform infrared (FTIR) spectrum of the ν₈ fundamental band of ethylene-d₃ (C₂HD₃) was recorded with a unapodized resolution of 0.0063 cm⁻¹ in the wavenumber region of 840–980 cm⁻¹. By assigning and fitting a total of 738 infrared transitions using a Watson’s A-reduced Hamiltonian in the I^r representation, rovibrational constants for the upper state (ν₈ = 1) up to all five quartic centrifugal distortion terms were derived for the first time. The root-mean-square (rms) deviation of the fit was 0.00076 cm⁻¹. The ground state rovibrational constants of C₂HD₃ were also determined for the first time by a fit of 450 combination-differences from the present infrared measurements, with rms deviation of 0.00075 cm⁻¹. Local frequency perturbations were not detected in the C-type ν₈ band of C₂HD₃ which is centred at 918.73199 ± 0.00007 cm⁻¹.     

Preparation and Characterization of Nano‐TiO2 Doped Polystyrene Materials by Melt Blending for Inertial Confinement Fusion

Abstract

Nano‐TiO₂ doped polystyrene (PS) materials (TiO₂‐d‐PS) used for inertial confinement fusion (ICF) targets were prepared by means of melt blending. The effect of the pretreatment process, including coupling agents and ultrasonic dispersion on nano‐TiO₂, was studied. Tensile tests were conducted to evaluate the mechanical properties of the TiO₂‐d‐PS materials. Scanning electron microscopy (SEM) combined with energy dispersive spectroscopy (EDS) was used to characterize the degree of dispersion of nano‐TiO₂ in the PS matrix. Transmission electron microscopy (TEM) and dynamic contact angle (DCA) measurements were introduced to demonstrate the surface state of untreated and pretreated nano‐TiO₂. The results showed that coupling agents improved the interfacial adhesion between the PS matrix and dopants; ultrasonic dispersion contributed to the increase in the tensile properties of the TiO₂‐d‐PS materials. The dispersion stability of nano‐TiO₂ powder and the stability of the TiO₂‐d‐PS materials were significantly enhanced through pretreatment, which was supported by the increase in the DCA when the nano‐TiO₂ was pretreated by the coupling agent. The results of SEM and EDS indicated that the nano‐TiO₂ dispersed homogeneously in the PS matrix. The pretreatment process is an effective way to break the aggregation of nano‐TiO₂, which was confirmed by TEM results. Melt blending is a feasible method to prepare PS doped high Z element ICF target materials.     

Mechanical and electronic properties of endofullerene Ne@C60 studied via structure distortions

Elastic, strength, electronic properties and vibrational spectra of Ne@C₆₀ (I _h) in its ground electronic state (X ¹A_g) were investigated with density functional theory at B3PW91/6-31G level via structure distortions. The elastic properties were obtained from the potential energy curves (PECs) in all of the five independent distortional directions of the molecule with symmetries of 1. D _5d, 2. D _3d, 3. D _2h, 4. C _2h(1) and 5. C _2h(2). PECs were examined where the structure of Ne@C₆₀ was destroyed. The necessary energies to destroy the structure were thus obtained, which illuminated the stability of Ne@C₆₀. PECs were found to be anisotropic and were accurately fitted to polynomials. Elongations in the direction of D _5d and compression in D _2h encountered potential energy surface cross-linkages, which might be considered as a single electron pump for further application in the design of single electron devices. Time-dependent B3PW91/6-31G analysis predicted significant electronic spectra changes associated with structure distortions. Similarities and differences of the properties were compared with those in C₆₀ and He@C₆₀.     

Preparation and optical constants of the nano-crystal and polymer composite Bi4Ti3O12/PMMA thin films

Bismuth titanate, Bi₄Ti₃O₁₂ (BTO), is a typical ferroelectric material with useful properties for optical memory, piezoelectric and electro-optic devices. Its nano-crystals were compounded by the chemical solution decomposition technique. Its structure and size were analyzed by X-ray diffraction and transmissive electron microscopy. The composite thin film of BTO nano-crystals and high transparency polymethylmethacrylate (PMMA) polymer was prepared by spin coating. The transmitted spectrum of BTO/PMMA composite thin film in 300–1500 nm was measured. The film thickness d and the optical constants of the film, such as the refractive index n, the absorption coefficient α, and the extinction coefficient κ were obtained using the data from the transmitted spectrum.     

Luminescence characteristics of Na21(SO4)7F6Cl:Cu+ phosphor

Copper-doped Na₂₁(SO₄)₇F₆Cl phosphor was synthesized via the conventional wet chemical method. The synthesis was carried using CuCl₂ and Cu (NO₃)₂·3H₂O as dopants in two different steps successively. The formation and phase purity of the compound were revealed by the X-ray diffraction pattern. Functional groups of the prepared phosphor were observed in the FT–IR spectrum. The emission along with excitation spectra were followed to explore the luminescence attributes. Photoluminescence (PL) emission spectrum of the material synthesized using CuCl₂ as the dopant was observed at 358?nm due to 3d^l0?3d⁹4s transitions when excited around 247?nm for various copper concentrations. Efficient blue emissions were obtained at peaks 423 and 469?nm for materials synthesized using Cu (NO₃)₂·3H₂O as the dopant, when monitored at 357?nm excitation. The Commission Internationale de I’Eclairage chromaticity coordinates for different copper concentrations were calculated for the emission around 423?nm. TL glow curves of Na₂₁(SO₄)₇F₆Cl:Cu phosphor for different dopant concentrations, irradiated with 100?Gy gamma dose, were studied and hence the trap parameters, namely order of kinetics (b), activation energy (E) and frequency factor (s) associated with the most intensive glow peak of Na₂₁(SO₄)₇F₆Cl:Cu phosphor were determined by using Chen’s Peak shape method. The results indicate that Na₂₁(SO₄)₇F₆Cl:Cu⁺ is a potential novel blue-emitting lamp phosphor and may be quite suitable for use in dosimetry of ionizing radiations.     

Experimental study of the energy gap in the spin-wave spectrum in Co/Pd multilayer films

The energy gap appearing in the spin-wave spectrum as a result of Bragg scattering by the modulation period q=2π/(d ₁+d ₂) of a one-dimensional superlattice is observed by the method of spin-wave resonance in Co/Pd multilayer films. It is shown that this gap is asymmetric: The “positive” deviation is from two to three times greater than the “negative” deviation. Pis’ma Zh. éksp. Teor. Fiz. 63, No. 12, 938–941 (25 June 1996)     

Eigenvalues of Laplacian with Constant Magnetic Field on Non-Compact Hyperbolic Surfaces with Finite Area

We consider a magnetic Laplacian −Δ _A = (id + A)^* (id + A) on a non-compact hyperbolic surface M with finite area. A is a real one-form and the magnetic field dA is constant in each cusp. When the harmonic component of A satisfies some quantified condition, the spectrum of −Δ _A is discrete. In this case, we prove that the counting function of the eigenvalues of −Δ _A satisfies the classical Weyl formula, even when dA=0.     

Research on the defect structure and g factors for the tetragonal (CrO4)3− impurity center in ZrSiO4: Cr5+ crystal

ABSTRACT

The EPR g factors g// and g⊥ for the tetragonal (CrO₄)^3? impurity center in ZrSiO4: Cr⁵⁺ crystal are studied from the high-order perturbation formulas based on the two-mechanism (the crystal field and charge-transfer mechanisms) model. The studies indicate that differing from the tetragonally-elongated host (SiO4)^4- tetrahedron, the dominant defect structure of the substitutional (CrO₄)^3? tetrahedron is tetragonally- compressed with the ground state |d_z² due to the Jahn-Teller distortion. Furthermore, the agreement of g factors between calculation and experiment requires a small admixture of the first excited state |d_x²_?y² to the ground state |d_z² due to the vibrational motion of ligands, which leads a compressed (CrO₄)^3? tetrahedron to become a twinkling elongated one, These results are discussed.     

外电场作用下Si_2O分子的激发特性

主要对2种Si2O分子异构体的激发特性进行研究,由计算结果可知,外电场对Si2O分子的激发能,振子强度,跃迁偶极矩及吸收光谱有着显著的影响.无外电场时三角型Si2O(C2v,1A1)分子在可见光区无吸收谱,外电场作用下其在可见光区(407.18—526.93nm)有比较弱的吸收谱.直线型Si-Si-O(C∞v,3Σ-)分子在有无外电场作用时在蓝光和紫光区均有一定的吸收谱,其中比较难得的是在蓝色光区(478.88—488.59nm)呈现较强的吸收谱.     

Zeeman effects on d-wave superconductor and tunneling spectrum in normal-metal/d-wave superconductor tunnel junction

We study the Zeeman effect on the d-wave superconductor and tunneling spectrum in normal-metal(N)/d-wave superconductor(S) junction by applying a Zeeman magnetic field to the S. It is shown that: (1) the Zeeman magnetic field can lead to the S gap decreasing, and with the increase in Zeeman energy, the superconducting state is changed to the normal state, exhibiting a first-order phase transition; (2) the Zeeman magnetic field may make the zero-bias conductance peak split into two peaks, and the energy difference between the two splitting peaks in the conductance spectrum is equal to 2h ₀ (h ₀ is the Zeeman energy); (3) both the barrier strength of interface scattering and the temperature can lower the magnitudes of splitting peaks, of which the barrier strength can lead to the splitting peaks becoming sharp and the temperature can smear out the peaks, however, neither of them can influence the Zeeman effect.     

Random‐field experiments in dilute antiferromagnets

Experiments in d = 2 and d = 3 random-field Ising systems are reviewed. Random fields destroy the phase transition for the d = 2 system Rb₂Co _x Mg_1-xF₄. The d = 3 Fe _x Zn_1-xF₄ system shows a new phase transition with unusual dynamics. Extreme critical slowing down plays an essential role in the d = 3 measurements. Experiments on the related d = 3 systems Mn _x Zn_1-xF₂ and Fe _x Mg_1-xC1₂ are also discussed.     

Probing meson spectral functions with double differential dilepton spectra in heavy-ion collisions

The double differential dilepton spectrum d/(d ² d _⊥ ²) at fixed transverse mass M _⊥ allows a direct access to the vector meson spectral functions. Within a fireball model the sensitivity of d/(d ² d _⊥ ²) against variations of both the in-medium properties of mesons and the dynamics of the fireball is investigated. In contrast to the integrated invariant-mass spectrum d/d ², in the spectrum d/(d ² d _⊥ ²) with fixed M _⊥ the ω signal is clearly seen as bump riding on the ρ background even in case of strong in-medium modifications.[3mm] Received: 16 November 2000 / Accepted: 16 January 2001     

阶梯化对快离子导体LixTiS2的结构与能量性质的影响

根据密度波理论建立了stage-2有序Li_xTiS₂(x=1/8,1/6,1/4,1/3,3/8,1/2)系统的晶胞模型.采用平面波赝势方法,对stage-2有序系统和stage-1有序Li_xTiS₂(x=0,1/4,1/3,1/2,2/3,3/4,1)系统进行了几何结构优化和总能量计算,并进行了对比研究.发现stage-2晶胞的参量c(d关键词： xTiS₂')" href="#">Li_xTiS₂ 阶梯结构 有序—无序相变 第一性原理计算     

Dispersive optical constants of a-Se100−xSbx films

Thin films of amorphous Se_100−xSb_x (x=5,10 and 20 at%) system are deposited on a silicon substrate at room temperature (300 K) by thermal evaporation technique. The optical constant such as refractive index (n) has been determined by a method based on the envelope curves of the optical transmission spectrum at normal incidence by a Swanpoel method. The oscillator energy (E_o), dispersion energy (E_d) and other parameters have been determined by the Wemple–DiDomenico method. The absorption coefficient (α) has been determined from the reflectivity and transmitivity spectrum in the range 300–2500 nm. The optical-absorption data indicate that the absorption mechanism is a non-direct transition. We found that the optical band gap, E_g^opt, decreases from 1.66±0.01 to 1.35±0.01 eV with increase Sb content.     

等静压下0.75Pb（Mg1/3Nb2/3）O3-0.25PbTiO3陶瓷的介电性能研究

研究了等静压对0.75Pb（Mg_1/3Nb_2/3）O₃-0.25PbTiO₃（PMN-25PT）陶瓷介电温谱的影响,PMN-25PT剩余极化随等静压变化和等静压压致相变.结果表明,随着压力增加,PMN-25PT的介电峰值温度T_m降低,/+{dT_m}/-{dP}≈-4℃/kbar,极化弛豫增强;剩余极化随压力增加连续减小;介电常数对压力的依赖关系与对温度场的依赖相似,压力诱导PMN-25PT发生弛豫铁电—顺电相变,相变为宽化的渐变过程,频率色散和极化弛豫更加强烈和普遍. 关键词： 铌镁酸铅-钛酸铅 等静压 介电弛豫 压致相变     

Theoretical study of the stereodynamics for the reaction F+HBr

The vector correlation between products and reagents for exothermic reaction F + HBr → HF + Br has been studied using a quasi-classical trajectory (QCT) method on the latest extended Lond–Eyring–Polanyi–Sato (LEPS) potential energy surface at three collision energies of 0.1 eV, 0.2 eV and 0.3 eV. Four polarization- dependent generalized differential cross-sections (2π/σ)(dσ₀₀/dω _t ), (2π/σ)(dσ₂₀/dω _t ), (2π/σ)(dσ₂₂₊/dω _t ), (2π/σ)(dσ_21?/dω _t ) have been presented in the centre of mass frame, respectively. The distribution of dihedral angle P(φ _r ), the distribution of angle between k and j ′ , P(θ _r ), are calculated. Both the influence of the collision energy and the influence of the reagent rotation on the product polarization have been studied in the present work, and the results indicate that the product rotational angular momentum j ′ is not only aligned, but also oriented along the direction perpendicular to the scattering plane. The orientation of the HF product rotational angular momentum vector j ′ depends very sensitively on the reagent rotation and also effected by the collision energy.