Cluster generation by laser ablation

We produced niobium clusters over a wide size range (Nb_n: 1≤n≤1000) by a laser ablation method in a low-pressure condensation source. Mass spectra of the neutral clusters, positive and negative ion clusters were measured by a time-of-flight mass spectrometer with a high mass resolution and a wide mass range. Similarity and difference in their mass spectra were examined to understand the cluster generation process in different charged states.     

Limits of the validity of the mass ratio independence of the Stokes—Einstein relation: molecular dynamics calculations and comparison with the Enskog theory

Detailed molecular dynamics simulations have been carried out to investigate the mass ratio dependence of the tracer self-diffusion coefficient D ₂ in binary, atomic Lennard-Jones mixtures as a function of density n and length diameter ratio σ₂₂/σ₁₁. For a compact representation of our results an exponential approach is employed. The results are compared with the Stokes-Einstein relation, which predicts no mass ratio dependence, and the Enskog theory. The validity ranges regarding the mass ratio dependence for Enskog and Stokes-Einstein like behaviour are given as well as the mass ratio dependence in the crossover regions between these two cases. For length parameter ratios σ₂₂/₁₁ <1, the Stokes-Einstein prediction is not valid for mass ratios 1/16≤m₂/m₁ ≤50. For length parameter ratios σ₂₂/σ₁₁>2 and for mass ratios m₂/m₁ < 1, the Stokes-Einstein regime (regarding the mass ratio dependence) is reached for smaller densities than for the same system but m₂/m₁ >1.     

Galvanomagnetic and thermoelectric properties of multicomponent n-type solid solutions based on Bi and Sb chalcogenides

The galvanomagnetic and thermoelectric properties of n-Bi_2-x Sb_xTe_3-y-z Se_yS_z multicomponent solid solutions with atomic substitutions (Sb → Bi; Se, S → Te) are studied. The principal components of the effective mass tensor (m ₁, m ₂, m ₃) for the isotropic mechanism of charge carrier scattering are determined within a many-valley model of the energy spectrum for compositions 0.08 ≤ x ≤ 0.4 and 0.06 ≤ y = z ≤ 0.15. The effect of a variation in the parameters of the constant-energy surface on the thermoelectric efficiency is analyzed for different compositions and carrier concentrations in solid solutions.     

Towards an asymptotic-safety scenario for chiral Yukawa systems

We search for asymptotic safety in a Yukawa system with a chiral U(N _L)_L? ??U(1)_R symmetry, serving as a toy model for the standard-model Higgs sector. Using the functional RG as a nonperturbative tool, the leading-order derivative expansion exhibits admissible non-Gaußian fixed points for 1≤N _L≤57 which arise from a conformal threshold behavior induced by self-balanced boson-fermion fluctuations. If present in the full theory, the fixed point would solve the triviality problem. Moreover, as one fixed point has only one relevant direction even with a reduced hierarchy problem, the Higgs mass as well as the top mass are a prediction of the theory in terms of the Higgs vacuum expectation value. In our toy model, the fixed point is destabilized at higher order due to massless Goldstone and fermion fluctuations, which are particular to our model and have no analogue in the standard model.     

Constraints on the central density and chemical composition of the white dwarf RX J0648.0-4418 with a record period of rotation in a model with the equation of state of an ideal degenerate electron gas

A system of equations and inequalities that allows one to determine the constraints on central density ρ _c and the chemical composition, which is governed by parameter μ _e , of the white dwarf RX J0648.0- 4418 with a record short period of rotation T = 13.18s and mass m = (1.28 ± 0.05)m⊙, has been derived. The analysis of numerical solutions of this system reveal a complex dependence of μ _e on ρ _c . The intervals of variation of μ _e and ρ _c are as follows: 1.09 ≤ μ _e ≤ 1.21 and 9.04 ≤ μ _e /ρ₀ ≤ 10³ (ρ₀ = 0.98 × 10⁶ g/cm³). This range of μ _e values suggests that the white dwarf RX J0648.0-4418 is not made of pure hydrogen and should contain 9–21% of heavy elements. Calculations have been performed with the equation of state of an ideal degenerate electron gas. Approximate analytic expressions (with an accuracy of 10^-3) for the minimum period T _min and mass m of the white dwarf are obtained. It is demonstrated that the white-dwarf mass is almost doubled (compared to the case of no rotation at a fixed central density) as period T approaches T _min.     

Rovibrational matrix elements of multipole moments of the HD,HT and DT molecules

Rovibrational matrix elements of the multipole moments Q _? of HD, HT and DT for ranks 2 ≤ ? ≤ 11 have been computed. Since the present calculations have been performed with the nuclear centre of mass (rather than the geometric centre) as the origin, the computations had to include even as well as odd values of ?. The results are used to correlate the absorption intensities of the zero-phonon single transitions in solid HD to theory.     

第一性原理研究应变Si/(111)Si1-xGex能带结构

基于密度泛函理论框架的第一性原理平面波赝势方法对双轴应变Si/(111) Si_1-xGe_x(x=0.1—0.4)的能带结构进行了研究,结果表明：导带带边六度简并没有消除;应变部分消除了价带带边的简并度;导带带边能量极值k矢位置和极值附近可由电子有效质量描述的能带形状在应变条件下几乎不变;价带极大值附近可由空穴有效质量描述的能带形状随着x有规律地变化. 此外,给出的禁带宽度与x的拟 关键词： 应变硅 能带结构 第一性原理     

Investigation of the mass dependence of self-diffusion coefficients by molecular dynamics calculations: binary non-isotopic mixtures of atoms

Extensive molecular dynamics calculations have been used to study systematically for the first time the dependence of the self-diffusion coefficients D_i (i = 1,2) in binary equimolar non-isotopic atomic mixtures (mole fractions x ₁ = x ₂ = 0.5, reduced temperature T? = 1.6) on the particle mass ratio m?₂ = m ₂/m ₁ (1 ≤ m?₂ ≤ 16.5) in the ranges of reduced particle number density 0.15 ≤ n? ≤ 0.85 and reduced length parameter 0.5 ≤ σ?₂₂ ≤ 2.0 for a Lennard-Jones 12-6 potential. The calculated D_i values can be represented quantitatively by an exponential estimate of the form: D_i = D ⁰ _i (m?₂) ^ex _i . D ⁰ _i are the self-diffusion coefficients in reference mixtures with m?₂ = 1. The observed dependence of the exponents ex _i (m?₂, n?, σ?₂₂) on m?₂, n? and σ?₂₂ is discussed in this paper.     

Hadron masses and the sigma commutator in light of chiral perturbation theory

We analyze carefully the impact of non-analytic chiral corrections to the mass spectrum of the pseudoscalar meson octet J^P = 0^? and the baryon octet $\text{J}{}^{\mathrm{<mtext>P</mtext>}}\text{=}\text{1}\text{2}{}^{\mathrm{+}}$. We find that the quark mass ratios must lie in the range $\text{21 ≤}\text{m}{}_{\mathrm{<mtext>s</mtext>}}\text{m}\text{?}\text{≤ 32}$ and $\text{1.6 ≤}\text{m}{}_{\mathrm{<mtext>d</mtext>}}\text{m}{}_{\mathrm{<mtext>u</mtext>}}\text{≤ 2.2}$. We also calculate the analogous corrections to the pion-nucleon sigma commutator σ_πN. It turns out that the value σ_πN = 60 MeV is not compatible with the structure of the meson and baryon spectrum, unless the nucleon mass is smaller than 600 MeV in the chiral limit m_u = m_d = m_s = 0.     

Order–disorder transition and thermal conductivity of (Yb x Nd1− x )2Zr2O7 solid solutions

X-ray diffraction, transmission electron microscopy and a laser-flash method were used to investigate the order–disorder transition and thermal conductivity of (Yb _x Nd_{1? x} )₂Zr₂O₇ (0 ≤ x ≤ 1.00) solid solutions. The structures were found to be pyrochlore-type for 0 ≤ x ≤ 0.25, defect fluorite for 0.45 ≤ x ≤ 1.00 and a mixture of these at 0.30 ≤ x ≤ 0.40. The thermal conductivities of (Yb _x Nd_{1? x} )₂Zr₂O₇ first gradually decrease with increasing temperature, and then increase slightly above 800°C due to the increased radiation contribution. YbNdZr₂O₇ has the lowest thermal conductivity due to the reduced cation mean free path at the compositional combination of equal molar Yb³⁺ and Nd³⁺ cations.     

On the prospects of preparing fullerites from small and large fullerenes

The evolution of the properties of face-centered cubic fullerites with a variation in the number (nc) of carbon atoms in a C_nc fullerene molecule (15 ≤ nc ≤ 147) is investigated using the dependence of the parameters of the interfullerene interaction in face-centered cubic fullerites on the mass of the C_nc fullerene molecule. It is demonstrated that, for nc < 20, the face-centered cubic fullerites become unstable because such light small fullerene molecules cannot be kept by weak van der Waals forces. For nc ≥ 110, the fullerites have anomalously low surface energies, which should lead to fragmentation of nanoclusters composed of large hollow spherical molecules C_nc. The inference is made that the range 30 < nc < 100 is optimum for the formation of stable face-centered cubic fullerites.     

Synthesis,X-ray,magnetic and electrical studies of substituted (Pr,Sr)MnO3 perovskites

A systematic study of the structural, magnetic and electrical properties of the manganites Pr_1-x Sr _x MnO₃(0≤ x ≤ 0.5) has been carried out. X-ray diffraction investigation shows a structural change with composition, from orthorhombic (0 ≤ x ≤ 0.2) to rhombohedral (0.25 ≤ x ≤ 0.5). The magnetic properties of Pr_1-x Sr _x MnO₃ samples could be explained on the basis of a double exchange mechanism between pairs of Mn³⁺ and Mn⁴⁺ ions. These properties are strongly dependent on the ratio of Mn³⁺/Mn⁴⁺. The maximum of the ferromagnetic transition temperature T_c is reached at x ≈ 0.35 corresponding to a value 1.85 of this ratio. The investigation of the electrical properties shows a semiconductor to metal transition as a function of temperature (0.25≤x≤0.4) with a metallic-like behaviour above a critical temperature T_p . A semiconducting-like one is observed for all the range of temperature (50–300 K) for (0 ≤ x ≤ 0.2 and x = 0.5). The evolution of activated energies with the carrier concentration has been investigated.     

应变Si价带色散关系模型

基于K.P理论框架,通过引入应变哈密顿微扰项,详细推导并建立了应变Si的价带色散关系模型.所得模型适用于任意晶向弛豫Si_1－xGe_x(0≤x≤0.6)衬底上生长的应变Si,并且,通过该模型可以获取任意K矢方向的应变Si价带结构及空穴有效质量,对器件研究设计可提供有价值的参考. 关键词： 应变Si K.P理论 色散关系     

Shubnikov de haas oscillations in Cd3-xZnxAs2 alloys

These first measurements of the Shubnikov de Haas effect in Cd_3-xZn_xAs₂ alloys were performed with x values ≤0.6. The electron effective mass is shown to be anisotropic but much less than Cd₃As₂ samples of similar Fermi energies. Spin splitting was observed yielding g values of up to 43 for the purest sample.     

Measurements and calculations of ethylene line-broadening by argon in the ν7 band at room temperature

Argon broadening coefficients are measured for 32 vibrotational lines in the ν₇ band of ethylene at room temperature using a tunable diode-laser spectrometer. These lines with 3 ≤ J ≤ 19, 0 ≤ K_a ≤ 4, 2 ≤ K_c ≤ 19 in the P, Q and R branches are located in the spectral range 919–1023 cm^?1. The fitting of experimental line shapes with Rautian profile provides collisional widths slightly larger than those derived from the Voigt profile. The independent theoretical estimation of these line widths is performed by the semiclassical approach of Robert-and-Bonamy type with exact isotropic trajectories generalized to asymmetric tops. Even with a rough atom–atom intermolecular potential model the calculated values show good agreement with experimental results.     

R3(Fe1-xCox)29-yCry(R=Gd,Sm)化合物相稳定性研究

在制备出Gd₃(Fe_1-xCo_x)_29-yCr_{y化合物基础上，成功制备出Sm3(Fe1-xCox)29 -yCry化合物，通过x射线衍射和热磁分析对R3(Fe1-x< /sub>Co x)29-yCry 关键词： 3(Fe1-xCox)29-yCry化合物')" href="#">R3(Fe1-xCox)29-yCry化合物 相结构 单轴磁晶各向异性}     

Correlation between the superconducting and normal state properties of amorphous molybdenum - silicon alloys

Measurements on amorphous Mo_1?xSi_x (0.27 ≤ × ≤ 0.77) show that with increasing x the superconducting transition temperature, T_c, decreases linearly with x for x ≤ x₀ ≡ 0.63 ± 0.05. The superconducting transition width and normal state resistivity increase rapidly with increasing x as x approaches x₀. For x > x₀, T_c drops below 1.5K. Transmission electron diffraction measurements (0.65 ≤ × ≤ 0.75) detect the presence of a second amorphous phase which resembles a-Si only for samples with x ? 0.75. The behavior near x₀ could be attributed to the onset of an electronic transition involving the conversion of metallically bonded Si to covalently bonded Si.     

日冕物质抛射引起地磁扰动的分类预报

对1997—2003年期间引起地磁扰动的72个加速日冕物质抛射(CME)事件和69个减速CME事件进行了特性分析，并针对经行星际闪烁(IPS)认证的32个加速CME引起的地磁扰动事件和32个减速CME引起的地磁扰动事件分类建立了新的从属函数μ_T和新的磁扰开始时间修正项, 经验证预报效果得到显著提高.对于加速CME引起的地磁扰动事件，磁扰开始时间的预报值T_pre与观测值T_obs比较，相对误差ΔT_pre/T_obs≤10%的事件占总事件数的21.86%；ΔT_pre/T_obs≤30%的事件为78.13%；而ΔT_pre/T_obs>50%的事件为9.36%；对于减速CME引起的地磁扰动事件相对误差ΔT_pre/T_obs≤10%的事件占总事件数的25.00%；ΔT_pre/T_obs≤30%的事件为84.37%；而ΔT_pre/T_obs>50%的事件仅为3.13%.这表明该预报方法对空间灾害性事件的磁扰动的定量预报具有很大的现实可能性. 关键词： 日冕物质抛射 地磁扰动 从属函数     

Phase stratification in the Nd1 − x BaxCoO3 − δ (0.3 ≤ x ≤ 0.54) system

Slowly cooled Nd_{1 ? x} Ba_xCoO_{3 ? δ} samples were two-phase in the concentration interval 0.3 ≤ x ≤ 0.46. One of the phases had O-orthorhombic lattice distortions (Pbnm) characteristic of ferromagnetic samples with x ≤ 0.3, and the other phase had tetragonal distortions (P4/mmm) characteristic of samples with x ≥ 0.46. Tetragonal distortions were caused by ordering of Nd³⁺ and Ba²⁺ ions. Samples with ordered neodymium and barium ions (Nd_{1 ? y} Ba_{1 + y} Co₂O_{6 ? γ} at ?0.08 ≤ y ≤ 0.08) experienced metal-dielectric and orientation magnetic phase transitions.     

Complex competition between ferromagnetism and antiferromagnetism in the CMR manganites Pr1−x Ca x MnO3

The systematic investigation of the magnetic susceptibility of the CMR manganites Pr_1?x Ca _x MnO₃ versus temperature has been performed for 0.25 ≤ x ≤ 0.50. Due to the similar size of calcium and praseodymium, these results show the important role of the mixed valence of manganese upon the complex magnetic behaviour of these compounds. They demonstrate that the appearance of antiferromagnetism coincides with charge ordering, T _N = T _CO varying with x, from 250K for x = 0.50 to 225K for x = 0.35. A strong competition between ferromagnetism and antiferromagnetism is observed for 0.35 ≤ x < temperature (T > 170 K) and going through canted antiferromagnetic or weak ferromagnetic states for intermediate temperatures (70 K < T < 170 K). For 0.25 ≤ x ≤ 0.30, a strong ferromagnetic state is observed for 95 K ≤ T ≤ 150 K, with a transition to a spin glass like state below 95–110 K.