Magnetic structure and anisotropy of YFe 6 Ga 6 and HoFe 6 Ga 6

The magnetic structure of RFe₆Ga₆ intermetallic compounds with R = Y, Ho have been determined by neutron powder diffraction, ⁵⁷Fe M?ssbauer spectroscopy, AC susceptibility, TGA (Thermo-Gravimetric Analysis) and magnetization measurements. Both compounds crystallize in the tetragonal ThMn₁₂ structure (space group I4/mmm) with the magnetic structure of YFe₆Ga₆ consisting of a simple ferromagnetic alignment of Fe moments in the basal plane with a Curie temperature of 475(5) K. Gallium atoms are found to fully occupy the 8i site, with Fe and Ga atoms equally distributed over the 8j site, whilst Fe atoms fully occupy the 8f site. The average Fe moments are 1.68(10) and 1.46(10) at 15 and 293 K, respectively. The average room temperature Fe magnetic moments determined by neutron diffraction are in overall agreement with the average Fe moment deduced from M?ssbauer spectroscopy and bulk magnetization measurements on this compound. The magnetic anisotropy of the compound HoFe₆Ga₆ is also planar in the temperature range 6-290 K, with Ho magnetic moments of 9.28(20) and 2.50(20) at 6 K and 290 K, respectively, coupled anti-ferromagnetically to the Fe sublattice and a Curie temperature of 460(10) K. The magneto-crystalline anisotropies of both compounds are comparable at low temperatures. Received 8 March 2001 and Received in final form 18 June 2001     

CARS spectroscopy of SF6 and UF6

CARS spectra of thev ₁-band of SF₆ and UF₆ performed under (static) cell conditions and under supersonic jet expansion have been recorded. The cooling behavior in supersonic jet expansions has been demonstrated for both gases.Work supported by BMFT-funds     

Hyperfine coupling constants of muonium-substituted cyclohexadienyl radicals in the gas phase: C6H6Mu, C6D6Mu, C6F6Mu

Muon spin rotation (μSR) and avoided level crossing resonance (ALCR) have been used to determine the hyperfine coupling constants (hfcs) of the muonium-substituted cyclohexadienyl radicals C₆H₆Mu, C₆D₆Mu and C₆F₆Mu in the gas phase, at pressures ～1 and 15 atm and temperatures in the range 40–80°C. Equivalent studies of polyatomic free radicals in gases, by electron spin resonance (ESR) spectroscopy, are generally not possible in this pressure range. The present gas phase results support the findings of earlier studies of cyclohexadienyl radicals in the condensed phase, by both μSR and ESR. Minor but not insignificant (～1%) effects on the hfcs are observed, which can be qualitatively understood for such nonpolar media in terms of their differing polarizabilities. This is the first time that comparisons of this nature have been possible between different phases at the same temperatures. These μSR/ALCR gas-phase results provide a valuable benchmark for computational studies on radicals, free from possible effects of solvent or matrix environments.     

Band topologies of hexaborides CaB_6 and EuB_6

<正>In last decades,topological materials[1-3]have attracted lots of research interest.Topological Kondo insulator(TKI)[4],as an exotic quantum state,has been proposed theoretically in two hexaborides Sm B6and Yb B6,in which there is a d/f(p)band inversion at momentum point X[5].There are lots of experimental work supporting the TKI state and metallic surface state in typical Kondo insulator Sm B6[6-10].However,more and more experimental results demonstrated that Yb B6is trivial insulator at ambient pressure[11].Under high pressure,the band gap of Yb B6will close and the d/p band inversion can happen under pressure about 15 GPa[12].     

SF_6气体及其衍生物的红外光谱分析

SF6气体大量应用于气体绝缘组合电器(GIS)中。通过化学方法检测SF6气体及其衍生物是检测GIS设备故障的一种重要方法。该文采用红外光谱技术分析了三种情况下的GIS设备内SF6气体组成情况,得出S2F10气体含量可以用来分析GIS故障原因是否为强火花或者电弧放电引起;CF4气体可以用来表征GIS设备内绝缘气体的绝缘状态。另外,研究表明,GIS设备在线运行时,绝缘气体气室密封失效、造成气体泄漏,引入新的气体杂质的问题比较严重。所以在进行GIS设备维护工作时,绝缘气室的密封维护工作十分重要。文章在研究GIS设备绝缘气体SF6红外谱图的基础之上提出了建立基于红外光谱技术的GIS设备故障诊断专家系统的意见。     

Experimentally determined transition probabilities of the systems 6p2→6p6d, 6p7s, 6p8s of neutral lead

Branching ratio measurements have been performed for all of the observed transitions from eight levels in neutral lead (6p²→6p6d, 6p²→ 6p7s, 6p²→6p8s) excited in a hollow cathode discharge in the 200–730 nm spectral range. From the relative emission intensity data, a set of absolute transition probabilities is derived for 28 lines, including lines for which transition probabilities have not been previously published. The absolute scales are obtained by averaging the measured lifetimes of the ³P⁰_1,2, ¹P_1⁰(6p7s), ³F^0_2,3, ³D^0_1,2(6p6d) levels.     

Computational reconstitution of crystal structures and (p,T) phase diagrams of benzene C6H6 and hexachlorobenzene C6Cl6

Abstract

With a simplified dynamical model for molecular packing analysis, crystal and molecular structures of benzene C₆H₆ and hexachlorobenzene C₆H₆ were investigated. This model includes thermal motion and molecular deformation effects. Several crystalline structures have been found by the calculation. They are compared to experimental structures determined at various temperatures and pressures, by X-ray diffraction or neutron scattering. A schematic (p, T) phase diagram is suggested for each compound.     

Fully rotationally resolved ZEKE photoelectron spectroscopy of C6H6 and C6D6: photoionization dynamics and geometry of the benzene cation

A comprehensive set of spectra for the benzene cation and the perdeuterated benzene cation has been recorded with full rotational resolution using zero kinetic energy photoelectron spectroscopy (ZEKE) at high resolution (up to 0.2 cm^?1), using a slow-rising extraction pulse. With different rovibronic levels in the S₁ 6^l state as intermediate resonance, the rotational transitions to the vibronic ground state of the cation have been recorded using two-colour, two-photon resonance enhanced multiphoton ionization. A simple spectator model has been employed to simulate the intensities of the ZEKE transitions. By fitting the simulations to the recorded spectra, improved values for the rotational constants and the Coriolis coupling parameters of benzene and perdeuterated benzene have been obtained. The CC and CH bond lengths of the cation have been deduced. The spectator model is shown to be reliable despite the fact that no specific allowance is made for the effect of final state interactions on the signal intensity.     

Crystal fields in PrB6 and NdB6

The electron-phonon relaxation times of the crystal-field levels of the metastable state⁵D₄ of Tb³⁺ were measured between 2 and 4.2K. The relaxation of the lowest pseudodoublet (E=1.25 cm^–1) shows an Orbach process via higher crystal-field levels. The other levels show direct relaxation on a nanosecond time scale. The higher crystal-field levels were used to look for propagation of high-energy (4THz) nonequilibrium phonons by phonon-induced fluorescence. No ballistic propagation of high-energy phonons could be found.     

Intercalant-driven superconductivity in YbC6 and CaC6

Recently discovered superconductivity in YbC6 and CaC6, at temperatures substantially higher than previously known for intercalated graphites, raises several new questions. (1) Is the mechanism considerably different from that of previously known intercalated graphites? (2) If superconductivity is conventional, what are the relevant phonons? (3) Given the extreme similarity between YbC6 and CaC6, why are their critical temperatures so different? We address these questions on the basis of first-principles calculations and conclude that coupling with intercalant phonons is likely to be the main force for superconductivity in YbC6 and CaC6, but not in alkaline-intercalated compounds, and explain the difference in T(c) by the "isotope effect" due to the difference in Yb and Ca atomic masses.     

Laser-catalyzed production of ultracold molecules: the 6Li+6Li7Li-->homega6Li-6Li+7Li reaction

We show that by using laser catalysis, we can employ translationally cold (Tr approximately 1.75 K) collisions to produce ultracold (0.01 mKhomega(6Li6Li7Li)*(1(4)A')-->homega6Li6Li+7Li reaction in the collinear approximation. Ultracold 6Li6Li product molecules are shown to be produced at an extraordinary yield of up to 99.97%, using moderate laser intensities of I=100 kW/cm(2)-10 MW/cm2.     

Magnetic-field-induced spin-reorientational transition in TbMn6Sn6

Magnetic state of the intermetallic TbMn₆Sn₆ compound was studied by neutron diffraction analysis in external magnetic fields of H=0, 4, and 5 kOe. Magnetic moments and their orientations were determined for the Tb and Mn sublattices. Magnetic fields higher than 4 kOe were shown to induce spin-reorientational transition at room temperature from the c axis to the basal plane.     

C6H6分子振动能谱的涨落统计特征

分析了C6 H6 分子振动能谱的涨落统计特征 .研究结果显示 ,C6 H6 分子振动能谱的涨落统计特征属于低Poisson型 ,即谱刚度值大于Poisson型与Wigner型 ,而能谱分维函数值则小于Poisson型与Wigner型 ,这是一种与通常的Poisson型、Wigner型完全不同的类型 ,该特性在一定程度上反映了C6 H6 分子结构的特殊性 .     

Experimental Observation of Electronic Structures of Kagome Metal YCr_6Ge_6

Using angle-resolved photoemission spectroscopy, we study electronic structures of a Kagome metal YCr_6Ge_6.Band dispersions along k_z direction are significant, suggesting a remarkable interlayer coupling between neighboring Kagome planes. Comparing ARPES data with first-principles calculations, we find a moderate electron correlation in this material, since band calculations must be compressed in the energy scale to reach an excellent agreement between experimental data and theoretical calculations. Moreover, as indicated by band calculations,there is a flat band in the vicinity of the Fermi level at the ■–M–K plane in the momentum space, which could be responsible for the unusual transport behavior in YCr_6Ge_6.     

Ga6 N6团簇结构性质的理论计算研究

在密度泛函理论的基础上,对Ga6N6团簇进行了第一性原理、全电子、从头计算,得到了10种可能的三维空间结构及其电子结构.其中最稳定结构的一对GaN原子的平均结合能为9.748 eV,因此是可能存在的.但与他人计算的Ga3N3和Ga5N5相比,Ga6N6团簇可能不属于"幻数"团簇.最稳定结构的Ga6N6团簇的费米面是部分占有的,能量为EF=-5.2972 eV,因此具有"金属性",但没有自旋磁矩.我们还计算了该结构的Ga6N6团簇的亲和势、电离能和电子跃迁能.这将有助于对GanNn团簇系列的结构和性质随n变化的研究.