A solution of the DGLAP equation for gluon at low x

We obtain a solution of the DGLAP equation for the gluon at low x first by expanding the gluon in a Taylor series and then using the method of characteristics. We test its validity by comparing it with that of Glück, Reya and Vogt. The convergence criteria of the approximation used are also discussed. We also calculate εF ₂(x,Q)²/ε In Q ² using its approximate relations with the gluon distribution at low x. The predictions are then compared with the HERA data.     

The exponent λ (x, Q2) of the proton structure functionF2(x, Q2) at lowx

The exponent λ of the structure function F₂ ∼x ^−λ is calculated using the solution of the DGLAP equation for gluon at lowx reported recently by the present authors. The quantity λ is calculated both as a function ofx at fixedQ ² and as a function ofQ ² at fixedx and compared with the most recent data from H1     

The longitudinal structure function F L(x, Q 2) and the gluon distribution G(x, Q 2) at low x

We obtain a relation between the longitudinal structure function F _L(x, Q ²), F ₂(x, Q ²) and G(x, Q ²) at small x, using the formalism recently reported by one of the authors [2]. We also obtain a relation between F _L(x, Q ²), F ₂(x, Q ²) and its slope (dF ₂(x, Q ²))/(dlnQ ²). This provides us with the determination of the longitudinal structure function F _L(x, Q ²) from F ₂(x, Q ²) data and hence extract the gluon distribution G(x, Q ²).     

Regge behaviour of distribution functions and evolution of gluon distribution function in next-to-leading order at low-x

Evolution of gluon distribution function from Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) evolution equation in next-to-leading order (NLO) at low-x is presented assuming the Regge behaviour of quark and gluon at this limit. We compare our results of gluon distribution function with MRST2004, GRV98LO and GRV98NLO parametrizations and show the compatibility of Regge behaviour of quark and gluon distribution functions with perturbative quantum chromodynamics (PQCD) at low-x.      

The evans-vigier field,B (3): Derivation of the de Broglie matter-wave equation from the Hamilton-Jacobi equation

The emergence of the Evans-Vigier fieldB ⁽³⁾ of vacuum electromagnetism has been accompanied by a novel charge quantization condition inferred from 0(3) gauge theory. This finding is used to derive the de Broglie matter-wave equation from the classical Hamilton-Jacobi (HJ) equation of one electron in the electromagnetic field. The HJ equation is used with the charge quantization condition to show that, in a perfectly elastic photon-electron interaction, complete transfer of angular momentum occurs self-consistently, and the electron acquires the angular momentum of the photon. In this limit the electron travels infinitesimally near the speed of light, and its concomitant electromagnetic fields become indistinguishable from those of the uncharged photon. This result independently proves the validity of the charge quantization condition and demonstrates unequivocally the existence of the vacuum fieldB ⁽³⁾.     

Optical and electrical characteristics of (LiCl) x (P2O5)1 − x glass

Homogeneous (LiCl) _x (P₂O₅)_1 − x glasses were synthesised using a melt-quenching method for x = 0.1–0.6 in the interval of 0.05. The amorphous structure of the samples was evident by the X-ray diffraction spectrum. The short range structures of the binary phosphate samples were examined by Fourier transform infrared spectroscopy, whilst the density of the samples was measured as supportive data for the investigations. The results of refractive indices as measured using an ellipsometer reveal the homogeneity of samples and was found to depend on the glass composition. The electrical properties of the glasses were investigated by ac impedance spectroscopy from 10 mHz to 1 MHz for temperatures ranging from room temperature to 573 K. An estimation of the bulk resistivity was obtained by taking the intercepts on the real axis at low frequencies of the complex impedance plot. The dc conductivities derived from the reciprocal of resistivity values were found to obey the Arrhenius relationship, and its activation energy shows a decreasing trend with the increase in LiCl content in the glass. Lastly, an equivalent circuits consisting of real and complex capacitors is proposed to describe the dielectric response of the glass.     

Derivation of the vacuum longitudinal fieldB (3) from the Dirac equation of the electron in the electromagnetic field

By solving the Diras equation for the motion of an electron (c) in the circularly polarized electromagnetic field it is shown that the intrinsic electron spin forms an interaction Hamiltonian with a time independent fieldB ⁽³⁾ of electromagnetic radiation in the vacuum. In the same way as intrinsic spin is a fundamental property of the electron,B ⁽³⁾ is therefore a fundamental and intrinsic property of the vacuum electromagnetic field.     

Stabilization of the anatase phase in TiO2(Fe, PEG) nanostructured coatings

Multilayered TiO₂(Fe³⁺, PEG) films were deposited on glass and SiO₂/glass substrates by sol-gel dipping method. The influence of Fe³⁺ and PEG(polyethylene glycol) concentrations, the number of layers, the thermal treatment time and the temperature on the optical and microstructural properties of the TiO₂ films were studied.As-deposited TiO₂(Fe³⁺, PEG) films were very porous, but after the thermal treatment at 500 °C, the PEG decomposed and burned out to porosity decreasing. Homogeneous nanostructured films were obtained, where the amorphous and the anatase phases coexist. XRD analysis showed that no rutile phase is observed in the films deposited on SiO₂/glass as compared with those deposited directly on glass and that the presence of the anatase phase in the films without PEG is more evident in the three-layers film. The XRD intensity of the main peak of anatase from 25° decreases with the increase of PEG concentration.The optical gap of the TiO₂(Fe³⁺, PEG) films is found in 2.52-2.56 eV range and does not essentially depend on the PEG content.     

The Growth of P-type TlGaSe2(1−x) S2x Single Crystals

TlGaSe_2(1–x) S_2x single crystals were grown by the modified Bridgman-Stockbarger method in our crystal growth laboratory. A^IIIB^III C₂ ^VI compounds are formed of elements from vertical groups of the periodic table (group III: Tl, Ga, In; group VI: Se, S, Te) and are classified into two types. The first type has a layer structure: TlGaSe₂, TlGaS₂ and TlInS₂. The second type has a chained structure: TlInSe₂, TlInTe₂ and TlGaTe₂. None of the grown crystals had cracks and voids on the surface. The freshly cleaved crystals had a mirror-like surface and there was no need for mechanical or chemical polishing treatments. By the hot probe technique, we have found that the crystals were of p-type. The ingots produced were single crystalline and the useful region of single crystal was 90% with steps of 10 K if changes were small, and with steps of 3 and 5 K if changes were large in the direct and indirect band gaps energies. The direct and indirect band gaps for TlGaSe_2(1–x)S_2x samples were calculated as a function of temperature.     

Additivity and non-additivity of dissociation energies in intermolecular interactions. Theoretical studies on (H2)n,n = 2-8, (CO2)n,n = 2-6 and (HF)n,n = 2-8

CCSD(T) and MP2 results using the aug-cc-pV5Z basis set are reported for chain, cyclic and other structures of the clusters (H₂)_n, n?=?2-8, (CO₂)_n, n?=?2-6 and (HF)_n, n?=?2-8. In chain-like structures of (H₂)_n and (CO₂)_n, with the bonding type of the dimer maintained, the dissociation energy D_e of the dimer doubles for the trimer, triples for the tetramer, and so on. Due to these systems being dominated by short-range forces, interactions are essentially restricted to neighbouring monomers. For other types of (H₂)_n and (CO₂)_n structures, the multipliers relative to the dimerisation energy can be much higher. Dissociation energies for the hexamers in S₆ symmetry of both H₂ (379?cm^?1) and CO₂ (4925?cm^?1) are over ten times the respective dimerisation energies. For the chain-like trimer of HF, however, D_e is in excess of double the dimer value. Mainly due to longer-range dipolar forces, the interactions reach beyond the neighbouring monomers. The interaction energy between HF monomers in chains follows an approximate R^?2 (R being the F–F distance) relationship, The calculated dissociation energies of the HF octamer are 15,985?cm^?1 (factor of 10.4) for the chain, and 21,003?cm^?1 (factor of 13.7) for the C_6h cyclic structure.     

Vibrational Study of the Complexes Pentamethyl Cyclopenta-Dienyldicarbonyl Rhenium Phosphine and Phosphite : (n5-C5Me5)Re(CO)2(PR3) R= Me,OMe, OPh

Abstract

A complete vibrationalassignment of the title compounds is performed from their IR and Raman Spectra. A normal coordinate treatment of these molecules based on a simplified model allow us to confirm most of the experimental assignments.

A comparison of some structural aspects of these complexes with Cp?Re(CO)₃ are also discussed. Additionally, the preparation and characterization of the trimethylphosphite derivative is reported.     

熔体旋甩法合成n型(Bi_(0.85)Sb_(0.15))_2(Te_(1-x)Se_x)_3化合物的微结构及热电性能

采用熔体旋甩结合放电等离子烧结(MS-SPS)技术制备了单相n型四元(Bi0.85Sb0.15)2(Te1-xSex)3(x=0.15,0.17,0.19,0.21)化合物,并对所得样品的微结构和热电传输性能进行了系统研究.样品自由断裂面的场发射扫描电子显微镜及抛光面的背散射电子成分分析表明:块体材料晶粒细小,晶粒排列紧密,成分分布均匀且相结构单一,样品中存在大量10—100nm的层状结构.随着Se含量x的增加,样品的电导率和热导率逐渐增加,而Seebeck系数逐渐降低.相比商业应用的区熔材料,MS-SPS方法合成的高Se组成的样品均在425K后表现出更高的ZT值,其中(Bi0.85Sb0.15)2(Te0.83Se0.17)3样品具有最高的ZT值,在360K可达到0.96,并在320—500K均保持较高的ZT值,500K时其ZT值相比区熔材料提高了48%.此外,通过调节Se的含量,可以有效地调控材料的ZT峰值出现的温度段,这对多级或梯度热电器件的制备具有重要意义.     

Mixed alkali metal selenate proton conductors: Phase transitions and crystal structure of [Rb0.54(Nh4)0.46]3H(SeO4)2

Optical birefringence, calorimetric, thermal expansion, powder and single crystal X-ray diffraction investigations of mixed proton conductors [Rb_1-x(NH₄)_x]₃H(SeO₄)₂ were performed with the aim of studying the influence of partial substitution of cations on the superprotonic phase transition, on the atomic structure and on other characteristic features of this type of crystals.     

Electronic structure and magnetism of R(Fe,Si)12 (R = Y, Nd)

The newly developed full-potential linearized augmented plane wave (LAPW) and local orbitals (lo) based on standard APW methods are briefly introduced, and the structure and magnetic properties of R(Fe, Si)₁₂ compounds (R = Y, Nd) are calculated using the method. The distribution of Si at different sites is analyzed based on total energy of one crystal unit with structure having been optimized. The characters of magnetic moments, total density of states (TDOS) and partial density of states (PDOS) for different crystal sites Si occupies are obtained and analyzed. The results show that the total magnetic moments of RFe₁₀Si₂ (R = Y, Nd) are larger than those of RFe₁₀ M ₂ (M = Ti, V, Cr, Mn, Mo and W) and the hybridization mechanism is seen as follows. Si(8j) reduce the magnetic moments of Fe at three sites, however, Si(8f) mainly reduce the magnetic moments of Fe(8i) and Fe(8j) atoms. The Curie temperature is markedly enhanced by the introduction of Si atoms according to spin fluctuation of DOS at Fermi level.     

Theoretical investigation of ESR spectra and local structure for VO in Ba2Zn(HCOO)6(H2O)

The electron spin resonance spectra (characterized by g factors g_, g_⊥ and hyperfine structure constants A_ and A_⊥) of Ba₂Zn(HCOO)₆(H₂O) (BZFA): VO²⁺ crystal are calculated from high order perturbation formulas. The calculated results are in good agreement with the observed values. The local structure parameters of [VO(H₂O)₅]²⁺ clusters are also obtained from the calculation. The magnitudes of the metal-ligand distances parallel and perpendicular to the C₄-axis are, respectively, R_≈0.163 nm and R_⊥≈0.210 nm. It is shown that the local structure around the V⁴⁺ ion possesses a compressed tetragonal distortion along C₄-axis.     

Cs2 NaMF6(M=Al,Ga):Cr3+络合分子体系局域结构和基态分裂的理论研究

采用双自旋轨道耦合系数模型并结合完全能量矩阵的方法对Cs₂NaMF₆(M=Al, Ga):Cr³⁺ 体系中Cr³⁺ 离子的基态分裂和局域结构进行了研究.通过模拟光谱和EPR谱确定了Cr³⁺ 取代 M³⁺ 形成的两种占位结构的畸变角,发现用双自旋轨道耦合系数模型与单自旋轨道耦合系数模型计算出的畸变角Δθ存在较大的差异.这表     

Theoretical investigation of the optical spectra and local lattice structure for Mn5+ in a Sr10(VO4)6F2 crystal

In this paper, the relationships between the optical spectra and local lattice structure for Mn⁵⁺ in a Sr₁₀(VO₄)₆F₂ crystal are established by the crystal- and ligand-field theory. The effect of spin–orbital coupling between the central 3d² ions and ligand ions has been considered in the full energy matrix. Using the matrix and superposition model formula, we have calculated the optical spectra and local lattice structure parameters of Mn⁵⁺ in Sr₁₀(VO₄)₆F₂ with a C_3v system. The calculated results are in good agreement with the observed values. In addition, the trigonal compressed distortions of the (MnO₄)^3? centers in Sr₁₀(VO₄)₆F₂ crystals are also obtained from the calculations.     

Crystal structure and magnetic properties of Nd（Mn1-xFex）2Si2 compounds

X-ray powder diffraction,resistivity and magnetization studies have been performed on polycrystalline Nd(FexMn1-x)2Si2 (0 ≤ x ≤ 1) compounds which crystallize in a ThCr2Si2-type structure with the space group I4/mmm.The field-cooled temperature dependence of the magnetization curves shows that,at low temperatures,NdFe2Si2 is antiferromagnetic,while the other compounds show ferromagnetic behaviour.The substitution of Fe for Mn leads to a decrease in lattice parameters a,c and unit-cell volume V .The Curie temperature of the compounds first increases,reaches a maximum around x = 0.7,then decreases with Fe content.However,the saturation magnetization decreases monotonically with increasing Fe content.This Fe concentration dependent magnetization of Nd(FexMn1-x)2Si2 compounds can be well explained by taking into account the complex effect on magnetic properties due to the substitution of Mn by Fe.The temperature’s square dependence on electrical resistivity indicates that the curve of Nd(Fe0.6Mn0.4)2Si2 has a quasi-linear character above its Curie temperature,which is typical of simple metals.     

The molecular structure and the analytical potential energy function of S2^- and S3^-

In this paper, the equilibrium geometry, harmonic frequency and dissociation energy of S2^- and S3^- have been calculated at QCISD/6-311＋＋G（3d2f） and B3P86/6-311＋＋G（3d2f） level. The S2^- ground state is of 2IIg, the S3^- ground state is of 2B1 and S3^- has a bent （C2v） structure with an angle of 115.65° The results are in good agreement with these reported in other literature. For S3^- ion, the vibration frequencies and the force constants have also been calculated. Base on the general principles of microscopic reversibility, the dissociation limits has been deduced. The Murrell-Sorbie potential energy function for S2^- has been derived according to the ab initio data through the least- squares fitting. The force constants and spectroscopic data for S2^- have been calculated, then compared with other theoretical data. The analytical potential energy function of S3^- have been obtained based on the many-body expansion theory. The structure and energy can correctly reappear on the potential surface.     

Co和稳定元素对Nd3(Fe,Co,M)29(M=Ti,V,Cr) 化合物结构和磁性的影响

利用x射线衍射和磁测量研究了不同稳定元素Co以及Ti,V和Cr替代对Nd₃Fe_29-x-yCo_xM_y(M=Ti,V,Cr)化合物结构和磁性的影响.研究发现:每一个稳定元素都有一替代量极限,在此极限以内所有化合物均为Nd₃(Fe,Ti)₂₉型结构,A2/m空间群.不同稳定元素的溶解极限不同.Co的替代量与稳定元素有关,当以Cr作为稳定元素时,Cr的替代量随着Co含量的提高而提高 关键词： 3(Fe')" href="#">Nd₃(Fe Co 29')" href="#">M)₂₉ 结构 磁性