The magnetic structure of Cs0.4 Mn0.4 Fe1.6 F6 and of Cs0.4 Ni0.4 Fe1.5 F6

The magnetic structure of the two compounds as determined by neutron diffraction is reported. Both compounds are antiferromagnetic with Néel-temperatures of 115 and 100 K respectively. Both compounds show a very pronounced diffuse scattering.     

Lithium motion in Li0.33 TiS2 and Li0.94 TiS2

We have studied the motion of lithium ions in Li_xTiS₂ (x = 0.33, 0.94) using pulsed NMR techniques. The temperature dependences of the spin lattice relaxation in the rotating frame (T_1?) suggest comparable activation energies for lithium ion diffusion for both samples, 3370 K, but an appreciably longer hopping time for the x = 0.94 sample. Low temperature values of T₂ agree with calculated and measured second moments for both materials.     

The ν3 and 2ν3 bands of SO3, SO3, SO3, and SO3

This sixth of a series of publications on the high-resolution rotation-vibration spectra of sulfur trioxide reports the results of a systematic study of the ν₃ and 2ν₃ infrared bands of the four symmetric top isotopomers ³²S¹⁶O₃, ³²S¹⁸O₃, ³⁴S¹⁶O₃, and ³⁴S¹⁸O₃. An internal coupling between the l=0(A₁^′) and l=2(E^′) levels of the 2ν₃ states was observed. This small perturbation results in a level crossing between |k−l|=9 and 12, in consequence of which the band origins of the A₁^′,l=0 “ghost” states could be determined to a high degree of accuracy. Ground and upper state rotational constants as well as vibrational anharmonicity constants are reported. The constants for the center-of-mass substituted species ³²S¹⁶O₃ and ³⁴S¹⁶O₃ vary only slightly, as do the constants for the ³²S¹⁸O₃, ³⁴S¹⁸O₃ pair. The S-O bond lengths for the vibrational ground states of the species ³²S¹⁶O₃, ³⁴S¹⁶O₃, ³²S¹⁸O₃, and ³⁴S¹⁸O₃ are, respectively, 141.981 99(1), 141.979 38(6), 141.972 78(8), and 141.969 93(8) pm, where the uncertainties, given in parentheses, are two standard deviations and refer to the last digits of the associated quantity.     

The ν9 + ν11 − ν11, ν10 + ν11 − ν11 hot band system in allene-d4

The hot band system ν₉ + ν₁₁ ? ν₁₁, ν₁₀ + ν₁₁ ? ν₁₁ in allene-d₄ was studied at a resolution near 0.010 cm^?1. About 1500 partly overlapped hot band rotational lines were assigned and fitted to a model taking into account z-Coriolis resonance between the combination levels ν₉ + ν₁₁ and ν₁₀ + ν₁₁ as well as vibrational l-type resonances within these levels. Upperstate constants have been derived from an analysis in which the constants for the ν₁₁ level were constrained. A detailed study of rotational as well as vibrational l-type doublings occurring in the KΔK = ?1 subband is presented, and the sign of vibrational l-type doubling constants for the ν₁₀ + ν₁₁ level is determined. A localized (x, y)-Coriolis resonance between ν₁₀ + ν₁₁ and ν₄(B₁) + ν₁₁ is discussed and the interaction parameter is obtained as well as some constants for ν₄ + ν₁₁.     

Wing profile measurements of the Na-doublet lines in C2H2/O2/N2, H2/O2/N2 and H2/O2/Ar frames at 1 atm

Fluorescence-excitation (wing) profiles of the Na-D doublet lines were measured over a wavelength range extending from 0.3 to 200 Å from the line center for the red D₁ and blue D₂ wings and from 0.3 to 3 Å for the red D₂ and the blue D₁ wings, respectively. The line profiles were determined with the aid of a tunable CW dye-laser as a background source by measuring the total fluorescence intensity observed on detuning the laser wavelength. The flames were premixed, laminar, shielded flames at 1 atm, with temperatures ranging from 1860 to 2270 K; N₂ and Ar served as diluent gases. The line core and near-wing profiles (i.e. the region covering 0.3<Δλ<7 Å for the outer wings and 0.3<Δλ<3 Å for the inner ones) in all of the flames studied appeared to have the same frequency dependence, regardless of the nature and concentrations of the gases used. The blue D₂-line profile followed an unexpected (-2.2) law, while the other three profiles obeyed the theoretically expected (-2) law (the dispersion profile function). The line profile in the Δλ range between the impact and quasistatic regions was found to depend on the main perturbers involved. We found that the far blue D₂- and red D₁-wings in the Ar-diluted H₂/O₂ flame obeyed the (-$\text{5}\text{4}$) and (-$\text{3}\text{2}$) laws, respectively, as predicted by the quasi-static theory for the Lennard-Jones interaction. For the N₂-diluted C₂H₂/O₂ and H₂/O₂ flames, we did not find these wing dependences in the Δλ range investigated.     

Magnetic susceptibility studies of (CH2)3(NH3)2FeCl2Br2 and (CH2)6(NH3)2FeCl2Br2

The magnetic susceptibility of the layered compounds (CH₂)₃(NH₃)₂FeCl₂Br₂ and (CH₂)₆(NH₃)₂FeCl₂Br₂ has been measured in the range 80 < T < 300 K. The results follow a Curie-Weiss behavior in the range 120 < T < 300 K but are field dependent for T < 120 K. The results are interpreted in terms of a two-dimensional antiferromagnetic interaction which is canted. A comparison with the corresponding pure chloride compounds is given.     

The ν2, 2ν2, 3ν2, ν4, and ν2 + ν4 bands of 15NH3

The ir absorption of gaseous ¹⁵NH₃ between 510 and 3040 cm^?1 was recorded with a resolution of 0.06 cm^?1. The ν₂, 2ν₂, 3ν₂, ν₄, and ν₂ + ν₄ bands were measured and analyzed on the basis of the vibration-rotation Hamiltonian developed by V. ?pirko, J. M. R. Stone, and D. Papou?ek (J. Mol. Spectrosc.60, 159–178 (1976)). A set of effective molecular parameters for the ν₂ = 1, 2, 3 states was derived, which reproduced the transition frequencies within the accuracy of the experimental measurements. For ν₄ and ν₂ + ν₄ bands the standard deviation of the calculated spectrum is about four times larger than the measurements accuracy: a similar result was found for ν₄ in ¹⁴NH₃ by ?. Urban et al. (J. Mol. Spectrosc.79, 455–495 (1980)). This result suggests that the present treatment takes into account only the most significant part of the rovibration interaction in the doubly degenerate vibrational states of ammonia.     

Nonplanar domain walls in ferroelastic Gd2(MoO4)3 and Pb3(PO4)2

A new stable, mobile zigzag-shaped domain wall configuration has been discovered in the Gd₂(MoO₄)₃ and Pb₃(PO₄)₂ structures. Previous work on these materials had not predicted this type of domain wall. The zigzag walls have mobilities 30–40 times that of planar walls in the same material. This increased mobility can be explained as a geometrical effect.     

Electron paramagnetic resonance of Mn IN (NH4)2Co2(SO4)3 and (NH4)2Ni2(SO4)3 single crystals

EPR studies are reported on single crystals of ammonium cobalt sulphate and ammonium nickel sulphate containing Mn²⁺ ions. In each case only one magnetic complex of Mn²⁺ ion is found. The resonance lines in the case of Mn²⁺ doped ammonium nickle sulphate are characterised by a strong angular dependence of line intensities. The resonance lines in both the cases are fitted to a spin-Hamiltonian corresponding to orthorhombic symmetry.     

High-pressure Raman spectroscopic studies on orthophosphates Ba3(PO4)2 and Sr3(PO4)2

By using diamond anvil cell (DAC), high-pressure Raman spectroscopic studies of orthophosphates Ba₃(PO₄)₂ and Sr₃(PO₄)₂ were carried out up to 30.7 and 30.1 GPa, respectively. No pressure-induced phase transition was found in the studies. A methanol:ethanol:water (16:3:1) mixture was used as pressure medium in DAC, which is expected to exhibit nearly hydrostatic behavior up to about 14.4 GPa at room temperature. The behaviors of the phosphate modes in Ba₃(PO₄)₂ and Sr₃(PO₄)₂ below 14.4 GPa were quantitatively analyzed. The Raman shift of all modes increased linearly and continuously with pressure in Ba₃(PO₄)₂ and Sr₃(PO₄)₂. The pressure coefficients of the phosphate modes in Ba₃(PO₄)₂ range from 2.8179 to 3.4186 cm⁻¹ GPa⁻¹ for ν₃, 2.9609 cm⁻¹ GPa⁻¹ for ν₁, from 0.9855 to 1.8085 cm⁻¹ GPa⁻¹ for ν₄, and 1.4330 cm⁻¹ GPa⁻¹ for ν₂, and the pressure coefficients of the phosphate modes in Sr₃(PO₄)₂ range from 3.4247 to 4.3765 cm⁻¹ GPa⁻¹ for ν₃, 3.7808 cm⁻¹ GPa⁻¹ for ν₁, from 1.1005 to 1.9244 cm⁻¹ GPa⁻¹ for ν₄, and 1.5647 cm⁻¹ GPa⁻¹ for ν₂.     

正磷酸盐晶体Ba3(PO4)2和Sr3(PO4)2高温拉曼光谱研究

测量了碱土金属正磷酸盐Ba₃(PO₄)₂和Sr₃(PO₄)₂常温及高温拉曼光谱, 对拉曼振动模式进行指认, 并分析了晶体拉曼振动光谱及晶体结构在高温下的变化. 在温度升高的过程中, 拉曼振动频率向低频移动且振动峰宽度展宽, 晶体中的P-O平均键长随温度升高而变长, 但O-P-O的键角并未发生变化. 晶体在900 ℃以下无结构相变发生. 关键词： 3(PO₄)₂和Sr₃(PO₄)₂')" href="#">Ba₃(PO₄)₂和Sr₃(PO₄)₂ 高温拉曼光谱 振动模式 高温结构     

合成反铁磁Ni81Fe19/Co90Fe10/Ru/Co90Fe10/Ni81Fe19的研究

采用直流磁控溅射方法制备了一系列的合成反铁磁及以其为自由层的自旋阀.研究发现,在Ni₈₁Fe₁₉与Ru层之间插入适当厚度的Co₉₀Fe₁₀层后,可有效地提高合成反铁磁两磁性层间的反铁磁耦合强度,得到具有饱和场H_s更高、饱和磁化强度M_s更低、热稳定性更好的合成反铁磁.另外,以这种合成反铁磁作自旋阀的自由层时,可有效提高自旋阀的稳定性. 关键词： 合成反铁磁 退火 自旋阀     

Piezoelectric properties of [Li0.03(K0.48Na0.52)0.97](Nb0.97Sb0.03)O3-(Ba0.85Ca0.15)(Ti0.90Zr0.10)O3 lead-free piezoelectric ceramics

[Li_0.03(K_0.48Na_0.52)_0.97](Nb_0.97Sb_0.03)O₃-(Ba_0.85Ca_0.15)(Ti_0.90Zr_0.10)O₃ [(1−x)LKNNS-xBCTZ] lead-free piezoelectric ceramics were prepared by the conventional solid state method, and effects of BCTZ content on the piezoelectric properties of LKNNS ceramics were mainly investigated. A stable solid solution has been formed between LKNNS and BCTZ, and a morphotropic phase boundary of (1−x)LKNNS-xBCTZ ceramics is identified in the range of 0 < x ≤ 0.02. The Curie temperature of (1−x)LKNNS-xBCTZ ceramics decreases with increasing BCTZ content. A higher ?_r value and a lower tan δ value are demonstrated for the (1−x)LKNNS-xBCTZ ceramic with x = 0.02. The (1−x)LKNNS-xBCTZ ceramic with x = 0.02 has an enhanced electrical behavior of d₃₃ ∼ 237 pC/N, k_p ∼ 48.6%, ?_r ∼ 1451, tan δ ∼ 0.037, and T_c ∼ 335 °C. As a result, (1−x)LKNNS-xBCTZ ceramics are promising candidate materials for the field of lead-free piezoelectric materials.     

In situ pressure-induced solid-state amorphization in Sm2(MoO4)3, Eu2(MoO4)3 and Gd2(MoO4)3 crystals: chemical decomposition scenario

The effect of pressure on the phase transformations in Sm₂(MoO₄)₃, Gd₂(MoO₄)₃ and Eu₂(MoO₄)₃ crystals has been studied in situ using synchrotron radiation. All three isostructural compounds undergo a structural phase transition at 2.2-2.8 GPa to a new phase, which is interpreted as a possible precursor of amorphization. Amorphization in these crystals occurs irreversibly over a wide pressure range, and its mechanism, interpreted as a chemical decomposition, is found to be weakly affected by the degree of hydrostaticity.     

Li2K(IO3)3与Li2NH4(IO3)3的晶体结构

本文用X射线粉末法测定了Li₂K(IO₃)₃与Li₂NH₄(IO₃)₃的晶体结构和原子参数。发现Li₃K(IO₃)₃,Li₂NH₄(IO₃)₃与Li₂Rb(IO₃)₃同晶型,属单斜晶系,空间群为P2₁/α,每个单胞含有四个化合式量。室温的点阵常数分别为α=11.198?,b=11.046?,c=8.254?,β=111.53°,及α=11.327?,b=11.078?,c=8.341?,β=111.87°。讨论了二元化合物的形成与离子半径的关系。 关键词：     

改进蚁群算法的局部信息动态路径规划

针对传统蚁群算法收敛速度慢、对动态路径变化适应性低的局限性,提出了一种基于局部信息获取策略的动态改进型蚁群算法。该算法利用局部信息获取策略,进行最优局部目标点的获取,然后调用改进蚁群算法获取局部区域内的最优路径,再重复循环获取新的最优局部目标点,直到找到全局目标点。与此同时,将提出的改进型蚁群算法应用于动态路径规划中的路径寻优与避障,仿真结果表明：提出的算法在具有与传统蚁群算法相当的路径优化效果的同时,能够有效适应障碍变化、大大提高了路径规划的收敛速度。     

Dy2 AlFe13 Mn3 化合物的本征磁致伸缩

通过X-射线衍射及磁测量手段研究了Dy2AlFe13Mn3化合物的结构及磁性质。研究结果表明Dy2AlFe13Mn3化合物具有六角相的Th2Ni17型结构。通过X-射线热膨胀测定法发现Dy2AlFe13Mn3化合物在245到344K的温度范围内存在负热膨胀现象，其平均热膨胀系数为α＝-1.1×10-4K-1K-1。在105到360K的温度范围内，通过比较磁性状态下的晶胞参数和由高温顺磁状态外延得到的低温顺磁状态下的晶胞参数间的差别计算了Dy2AlFe13Mn3化合物的本征磁致伸缩。结果表明Dy2AlFe13Mn3化合物的本征体磁致伸缩ωS在105到245K的温度范围内随着温度的升高而增大，由105K时的7.0×10-3 增加到245K时的9.1×10-3。随着温度的进一步升高，ωS反而减小。沿c轴方向的本征线磁致伸缩λc随着温度的升高而减小。基面内的本征线磁致伸缩λa在105到270K的温度范围内随着温度的升高而增大，从105K时的0.8×10-3增大到270K时的3.4×10-3，然后随着温度的进一步升高而减小。     

Cation ordering and crystal structures in AGa2X4 compounds (CoGa2S4, CdGa2S4, CdGa2Se4, HgGa2Se4, HgGa2Te4)

Single crystals of some AGa₂X₄ compounds (CoGa₂S₄, CdGa₂S₄, CdGa₂Se₄, HgGa₂Se₄, HgGa₂Te₄) were prepared by chemical vapour deposition and flux method.The X-ray structural investigations indicated blende or defect chalcopyrite structures.A simple relationship is suggested between the c/a ratio and the cationic sublattice ordering.     

The stretching fundamental bands ν1, ν2 and ν4 of HSiD3

The ν₁(A₁), Si-H stretching, ν₂(A₁) and ν₄(E), Si-D stretchings, fundamental bands of HSiD₃ have been recorded at an effective resolution of ca. 0.003 cm⁻¹ between 2080 and 2280 cm⁻¹ and between 1480 and 1720 cm⁻¹, respectively. Ro-vibrational transitions of the H²⁸SiD₃ isotopologue have been assigned in the two spectral ranges, about 700 belonging to ν₁, with J′ up to 25 and K up to 21, and about 1600 to the ν₂/ν₄ dyad, with J′ up to 24 and K′ up to 19. The spectra of all the bands evidence the existence of several perturbations. The transitions of ν₁ have been analyzed either neglecting or including in the model A₁/E Coriolis-type interactions with nearby dark states. The υ₂ = 1 and υ₄ = 1 states have been fitted simultaneously taking into account several ro-vibrational interactions between them and, in addition, with the υ₅ = 2, l = 0 component, and with few other close dark states. The standard deviation of the fit for both ν₁ and the ν₂/ν₄ dyad is, however, more than one order of magnitude larger than the estimated experimental precision and is independent on the adopted model.     

The ν2 and ν4 bands of AsH3

The infrared absorption of arsine, AsH₃, between 750 and 1200 cm^?1 has been recorded at a resolution of 0.006 cm^?1. Altogether 2419 transitions, including nearly 700 “perturbation allowed” transitions with Δ∥k ? l∥ = ±3, ±6, and ±9, have been assigned to the ν₂(A₁) and ν₄(E) bands. Splitting of the transitions for K″ = 3, 6, and 9 was also observed. To fit the rotational pattern of the v₂ = 1 and v₄ = 1 vibrational states up to J = 21, all the experimental data were analyzed simultaneously on the basis of a rovibrational Hamiltonian which took into account the Coriolis interaction between ν₂ and ν₄ and also included several essential resonances within them. The derived set of 38 significant spectroscopic parameters reproduced the 2328 transition wavenumbers retained in the final fit within the accuracy of the experimental measurements.