Dielectric properties of BiMg1/2Ti1/2O3 and BiMg1/2Zr1/2O3 perovskite ceramics with elimination of the contribution for direct current conductivity

A technique for analysis of the electric modulus spectrum of dielectric ceramics based on the elimination of the direct current conductivity (σ _dc ) contribution has been developed. Expressions are given for the real (M′ _ac ) and imaginary (M′′ _ac ) parts of the complex electrical modulus related only to the dielectric polarization and not containing the contribution of σ _dc . The frequency dependence of M′′ _ac and the M′′ _ac – M′ _ac diagram for BiMg_1/2Ti_1/2O₃ and BiMg_1/2Zr_1/2O₃ perovskite ceramics are analyzed.     

Giant dielectric relaxation in SrTiO3-SrMg1/3Nb2/3O3 and SrTiO3-SrSc1/2Ta1/2O3 solid solutions

Ceramic samples of (1−x)SrTiO₃-xSrMg_1/3Nb_2/3O₃ and (1−x)SrTiO₃-xSrSc_1/2Ta_1/2O₃ were prepared, and their dielectric properties were studied at x=0.005–0.15 and 0.01–0.1, respectively, at frequencies 10 Hz–1 MHz and at temperatures 4.2–350 K. A giant dielectric relaxation was observed in the temperature range 150–300 K, and not so strong but well-developed relaxation was found in the temperature range 20–90 K. The activation energy U and the relaxation time τ₀ were determined to be 0.21–0.3 eV and from 10⁻¹¹ to 10⁻¹² s for the high-temperature relaxation and 0.01–0.02 eV and 10⁻⁸–10⁻¹⁰ s for the low-temperature relaxation, respectively. The additional local charge compensation of the heterovalent impurities Mg²⁺ and Nb⁵⁺ (or Sc³⁺ and Ta⁵⁺) by free charge carriers or the host ion vacancies is suggested to be the underlying physical mechanism of the relaxation phenomena. On the basis of this mechanism, the Maxwell-Wagner model and the model of reorienting dipole centers Mg²⁺ (or Sc³⁺) associated with the oxygen vacancy are proposed to explain the high-temperature relaxation with some arguments in favor of the latter model. The polaron-like model with the Nb⁵⁺-Ti³⁺ center is suggested as the origin of the low-temperature relaxation. The reasons for the absence of ferroelectric phase transitions in the solid solutions under study are also discussed. From Fizika Tverdogo Tela, Vol. 44, No. 11, 2002, pp. 1948–1957. Original English Text Copyright ? 2002 by Lemanov, Sotnikov, Smirnova, Weihnacht. This article was submitted by the authors in English.     

Jet Spectroscopy of theD12B1–D01B1Transition of thep-Cyanobenzyl Radical

We have generated thep-cyanobenzyl radical in supersonic free expansion, and measured the vibrationally and rotationally resolved laser induced fluorescence (LIF) excitation spectra and the LIF dispersed spectra from the single vibronic levels (SVL) in the green-blue region. The lowest energy band at 20 738 cm⁻¹with the strongest intensity in the excitation spectrum has been assigned to the 0⁰₀band of the visible spectrum, on the basis of the vibronic structures in the SVL dispersed spectra. Based on the band type of the 0⁰₀band,a-type, determined from the rotationally resolved LIF excitation spectrum, we have definitely assigned the visible band to theD₁2²B₁–D₀1²B₁electronic transition. We have found, on the grounds of the vibrational analysis of the dispersed spectra, that the vibronic structure of the 2²B₁–1²B₁electronic transition of the benzyl type is characterized by totally symmetric fundamental modes, 1, 8a, and 9a.     

Postcollision interaction upon electron excitation of 4sns1S0, 3S1 and 4snd1D2, 3DJ levels of zinc atom

The optical excitation functions (OEFs) for four series of spectral lines of the Zn atom at the transitions 4sn ₁ s ¹ S ₀ → 4s4p ¹ P ₁^∘ (n ₁ = 6–10), 4sn ₂ s ³ S ₁ → 4s4p ³ P ₂^∘ (n ₂ = 6−8), 4sn ₃ d ¹ D ₂ → 4s4p ¹ P ₁^∘ (n ₃ = 4−6), 4sn ₄ d ³ D _{1, 2, 3} → 4s4p ³ P ₂^∘ (n ₄ = 4−7) excited by a monoenergetic (0.04–0.08 eV) electron beam with energies from the excitation threshold to 18–19 eV are measured. In the energy dependences of the excitation cross sections, the effect of post-collision interaction of slow (scattered) and fast (emitted after the autoionization state decay) electrons is observed and described. This interaction leads to the capture of a slow electron into the listed discrete levels and the appearance of maxima in the excitation functions. The energies of the maxima are used to determine the energies and widths of single autoionization states or their groups by approximate formulas of the classical approach. The autoionization levels of the zinc atom responsible for the maxima observed are determined. Possible transfer of the orbital angular momentum between electrons is analyzed.     

Calculation of the spectroscopic constants for the electronic states A1Σ u+ , B1Πu, C1Πu, D1Σ u+ , and E1Σ u+ of the cesium dimer

The vibrational, rotational, and centrifugal distortion constants have been calculated for the electronic states A ¹Σ _u ⁺ , B ¹Π_u, C ¹Π_u, D ¹Σ _u ⁺ , and E ¹Σ _u ⁺ of the Cs₂ molecule. The calculation was performed on the basis of the semiempirical potential energy curves constructed in this paper. The calculated spectroscopic constants are compared with the experimental data. Original Russian Text ? A.D. Smirnov, 2007, published in Optika i Spektroskopiya, 2007, Vol. 102, No. 1, pp. 23–27.     

氢同位素氚水T2O(X1A1)的解析势能函数

获得T₂O(X¹A₁)解析势能函数的主要困难在于Born-Oppenheimer近似下T₂O(X¹A₁)与H₂O(X¹A₁)势能函数的不可区分性.然而,在Born-Oppenheimer近似下,分子势能函数实际上是键长、键角这些 关键词： 2O(X¹A₁)')" href="#">T₂O(X¹A₁) 同位素效应 解析势能函数     

基于p1-p2与a1+a2共同本征态的相干纠缠态表象的构建及性质

利用有序算符乘积内的积分技术（IWOP）,建立了一种称之为相干纠缠态的两粒子体系的新表象,研究了这种新表象的性质,从理论上探讨了这种相干纠缠态的产生方法.结果表明：本文建立的这种p₁-p₂与a₁+a₂的共同本征态|p,β〉,既具有相干态的特性,又体现了纠缠态的特征,具有超完备性,完全可以作为一个表象使用. 物理上可以用光分束器来实现|< 关键词： IWOP技术 相干纠缠态表象 分束器     

钪原子的自电离里德伯能级3d4s(1D2)nf2 D3/2,3d4s(1D2)nf2 F5/2和3d4s(1D2)np2 D3/2<

在多通道量子亏损理论框架下,利用相对论多通道理论,分别在冻结实近似和考虑偶极极化下计算钪原子的J^π=(3/2)^-,(5/2)^-的三个收敛于 3d4s(¹D₂)的自电离里德伯系列的能级.对3d4s(¹D₂)np²D_3/2和3d4s(^{1 关键词： 相对论多通道理论 多通道量子亏损理论 电子-电子关联 自电离里德伯系列}     

Crystal structure and magnetic ordering of manganites La0.7Ca0.3Mn1 ? y Fe y O3

The influence of the replacement of Mn ions in the La_0.7Ca_0.3Mn_{1 − y} Fe _y O₃ compounds (0 ≤ y ≤ 0.09) by another transitional metal, Fe, was studied. The radii of both ions are almost identical, which makes the effect of the transitional metal on the physical properties of manganites more transparent. The crystal structure of three samples (with y = 0, 0.03, 0.09) is studied in the temperature range T = 1.5–300 K by neutron powder diffraction. All investigated samples belong to the orthorhombic space group Pnma (62). It is confirmed that Fe ions occupy the Mn positions in the unit cell. As the Fe concentration increases, the saturation value of the spontaneous magnetic moment and the Curie temperature decrease, but the ground state remains ferromagnetic for 0 ≤ y ≤ 0.1. The saturation values of the magnetic moments at T = 1.5 K are m _FM = 3.72(3), 3.40(3), and 3.27(3) μ _B /Mn for the samples with an Fe concentration y = 0, 0.03, and 0.09, respectively. Original Russian Text ? A.I. Kurbakov, V.S. Zakhvalinskii, R. Laiho, 2007, published in Fizika Tverdogo Tela, 2007, Vol. 49, No. 4, pp. 691–695.     

The analytical potential energy function of flue gas SO2（X1A1）

The equilibrium structure of flue gas SO2 is optimized using the density functional theory （DFT）/B3P86 method and CC-PV5Z basis. The result shows that it has a bent （C2v, X1A1） ground state structure with an angle of 119.1184°. The vibronic frequencies and the force constants are also calculated. Based on the principles of atomic and molecular reaction statics （AMIIS）, the possible electronic states and reasonable dissociation limits for the ground state of SO2 molecule are determined. The potential functions of SO and 02 are fitted by the modified Murrell-Sorbie＋c6 （M-S＋c6） potential function and the fitted parameters, the force constants and the spectroscopic constants are obtained, which are all close to the experimental values. The analytic potential energy function of the SO2 （X1A1） molecule is derived using the many-body expansion theory. The contour liues are constructed, which show the static properties of SO2 （XIA1）, such as the equilibrium structure, the lowest energies, the most possible reaction channel, etc.     

The ν1 and ν3 stretching fundamental bands of PD3

The infrared (IR) spectrum of PD₃ has been recorded in the 1580–1800 cm⁻¹ range at a resolution of 0.0027 cm⁻¹. About 2400 rovibrational transitions with J^′=K^′22 have been measured and assigned to the ν₁ (A₁) and ν₃ (E) stretching fundamentals. These include 506 “perturbation-allowed” transitions with selection rules Δ(k−l)=±3. Splittings of the K^′′=3 lines have been observed. Effects of strong perturbations are evident in the spectrum. Therefore the rovibrational Hamiltonian adopted for the analysis explicitly takes into account the Coriolis and k-type interactions between the v₁=1 and v₃=1 states, and includes also several essential resonances within these states. The rotational structure in the v₁=1 and v₃=1 vibrational states up to J^′=K^′=18 was reproduced by fitting simultaneously all experimental data. Thirty-four parameters reproduced 1950 transitions retained in the final cycle with a standard deviation of the fit equal to 4.9 × 10⁻⁴ cm⁻¹ (about the precision of the experimental measurements).     

多自旋态离子Co替代诱导La2/3Ca1/3MnO3体系的输运反常

利用具有多自旋态的Co离子进行Mn位替代,制备了La_2/3Ca_1/3Mn_1-xCo_xO₃ (0≤x≤0.15) 系列样品并研究了体系的结构和输运特性.结果表明,在替代范围内,样品呈现很好的单相结构,各晶格参数随替代量的增大而减小;Co替代导致体系出现电输运反常,具体表现为在居里温度T_C以下电阻-温度曲线的二次金属-绝缘转 关键词： Mn位替代 双峰现象 自旋结构 磁电阻效应     

铁基纳米晶合金介观结构的等效RLC并联模型

根据实验研究成果提出纳米晶合金软磁性能受其介观结构影响的观点，建立了Fe基纳米晶合金的球状介观结构模型，分别求出只有交变磁场或交变磁场和静磁场作用时纳米晶粒球的频率函数——D函数.分析表明，两种D函数都是复变函数，其实部Re(D)为纳米晶电感性质和电容性质的反映，虚部Im(D)为纳米晶电阻性质的反映，据此建立了Fe基纳米晶合金介观结构的等效RLC并联模型.由该模型求得合金产生极值巨磁电阻的条件为v_extGMI=v|_Re(D)=0，决定因素有μ,σ,ω,R和H_ex及微观磁结构. 关键词： Fe基纳米晶合金 等效RLC并联模型 球状介观结构模型 频率函数     

A1 g phonons in YBa2Cu3O7 by first-principles atomic-force calculations

We report on ab-initio frozen-phonon calculations for the five A_1g Raman-active-modes of YBa₂Cu₃O₇ atq=0. The determination of the equilibrium positions of the atoms Ba, Cu(2), O(2), O(3), O(4) as well as of phonon frequencies and respective eigenvectors is based on the calculation of atomic forces within the LAPW-method. The general agreement between our results and experimental structural data and phonon frequencies is good. Deviations are discussed in connection with the local-density approximation.     

Effect of copper doping on charge ordering in La1/3Ca2/3Mn1 ? y Cu y O3 (0 ≤ y ≤ 0.07)

The effect of copper doping on charge-orbital ordering in La_1/3Ca_2/3Mn_{1 − y} Cu _y O₃ (0 ≤ y ≤ 0.07) is studied by measuring the temperature dependences of the magnetization, the electrical resistivity, and the heat capacity in combination with an electron microscopic investigation of the structure. It is demonstrated that copper doping leads to a lowering of the charge ordering temperature T _CO and that this decrease is proportional to the decrease in the Mn³⁺ ion concentration. In the temperature range 5–300 K, the semiconducting pattern of the electrical resistivity persists for all values of 0 ≤ y ≤ 0.07. Electron microscope studies have shown that the presence of copper suppresses the formation of a regular superstructure, which is characteristic of the undoped starting compound, beginning already from low concentrations (y = 0.01). Differential scanning calorimetry revealed a substantial decrease in the transition entropy at the onset of charge ordering in copper-doped samples as compared to the starting compound. Doping with copper destroys long-range charge-orbital ordering and retains apparently only short-range order. Original Russian Text ? T.S. Orlova, J.Y. Laval, Ph. Monod, V.S. Zakhvalinskiĭ, V.M. Egorov, Yu.P. Stepanov, 2009, published in Fizika Tverdogo Tela, 2009, Vol. 51, No. 1, pp. 91–97.     

中频磁脉冲处理Fe52Co34Hf7B6Cu1非晶合金的正电子湮没研究

对熔体急冷法制备的非晶合金 Fe₅₂Co₃₄Hf₇B₆Cu₁ 进行了不同频率的中频磁脉冲处理, 用透射电子显微镜、穆斯堡尔谱、正电子湮没寿命谱等方法研究了处 理前后试样的微观结构及结构缺陷变化. 结果表明,经中频磁脉冲处理后,样品发生了部分纳米晶化, 晶化量随磁脉冲频率增加而增加, 当磁脉冲频率为2000 Hz时, 晶化量达33.1%; 在淬态非晶样品中, 正电子在类单空位中的湮没寿命τ₁为150.5 ps, 强度 I₁为77.7%, 在微孔洞中的湮没寿命τ₂为349.7 ps,强度I₂为22.3%; 随磁脉冲频率的增加, τ₁, τ₂值呈现减小的变化趋势, 与淬态非晶相比, I₁有所增加, I₂下降, τ₁, τ₂的平均值τ大幅降低.     

High-resolution infrared study of the 2ν3 (A1, E) and ν1 + ν3 (E) bands of NF3

The 2ν₃ overtone (A₁, E) and the ν₁ + ν₃ (E) combination bands of the oblate symmetric top ¹⁴NF₃ were studied by FTIR spectroscopy with a resolution of 2.5 × 10⁻³ cm⁻¹. Nearly 500 lines up to K_max/J_max = 30/43 were observed for the weak A₁ component reaching the v₃ = 2⁰ substate (1803.1302 cm⁻¹), the majority of which corresponded to reinforced K = 3p-type transitions. For the strong E component reaching the v₃ = 2^±2 substate (1810.4239 cm⁻¹), about 3550 transitions were assigned up to K_max/J_max = 65/69, favoring a clear observation of the ℓ(4, −2) and ℓ(4, 4) splittings within the kℓ = −2 and +4 sublevels, respectively. The two v₃ = 2 substates are linked by the ℓ(2, 2)- and ℓ(2, −1)-type interactions, providing severe crossings, respectively, at K′ = 6 and near K′ = 24 on the v₃ = 2⁺² side. A model working in the D-reduction and including all these ℓ-type interactions could reproduce together 3695 nonzero weighted experimental data (NZW) through 33 free parameters with a standard deviation of σ = 0.357 × 10⁻³  cm⁻¹. As for the ν₁ + ν₃ (E) combination band, about 3690 lines were assigned up to K_max/J_max = 45/55. Its v₁ = v₃ = 1 upper state (1931.577 5 cm⁻¹) was treated using the same model recently applied to the v₃ = 1 (E, 907.5413 cm⁻¹) state. It yielded 21 free parameters through 3282 NZW experimental data, adjusted with σ = 0.344 × 10⁻³  cm⁻¹ in the D-reduction. For the two excited states, the small and unobserved ℓ(0, 6) interaction was tested as useless. To confirm the adequacy of the vibrationally isolated models used, some other reductions of the Hamiltonian were tried. For the v₃ = 2 state, the D-, L-, and LD-reductions led to similar σ’s, while the Q one was not successful. For the v₁ = v₃ = 1 state, the D- and Q-reductions gave comparable σ’s, while the QD-reduction was not as good. The corresponding unitary equivalence relations are generally more nicely fulfilled for the v₃ = 2 state than for the v₁ = v₃ = 1 state. The three derivable anharmonicity constants in cm⁻¹ are x₃₃ = −4.1528, g₃₃ = +1.8235 and x₁₃ = −7.9652.     

Temperature dependence of the critical current in YBa2Cu3O7−δ and Bi2Sr2Ca1Cu2O8 Josephson junctions

We have studied the stationary Josephson effect on YBa₂Cu₃O_7−δ (T_c=90 K) and Bi₂Sr₂Ca₁Cu₂ O₈ (T_c=80 Kand 87 Kfortwosamplesofdifferentorigin) ceramic based junctions. The temperature dependence of the critical current near T_c has been found as I_c≈(T_c-T) for the Y-Ba-Cu-O samples indicating that they should be classified as S-N-I-N-S type junctions. The I-V curves of the Bi-Sr-Ca-Cu samples show the typical behaviour of S-I-S structures. Using Ambegaokar-Baratoff's theory for Bi₂Sr₂Ca₁Cu₂O₈, the temperature dependence of the superconducting state gap Δ(T) was calculated and it was evaluated that 1.452Δ(0)/k_BT_c3.5.     

Action of monoatomic cations on the structure and spectra of Mx(1)M1-x(2)UO2(NO3)3 crystals

The action of the monovalent M⁺ cations on the luminescent properties of the mixed M _x ⁽¹⁾ M _1-x ⁽²⁾ UO₂(NO₃)₃ crystals, where M is Na, K, Rb, Cs, or NH₄ , has been investigated. It has been established that the spectral positions of the bands of vibronic transitions depend linearly on the ratio between the concentrations of the M⁽¹⁰⁾ and M⁽²⁾ cations. It is shown that the crystals considered are composed of l[RbUO₂(NO₃)₃]n[CsUO₂(NO₃)₃] clusters, where l/n = x/(1 - x). The spectral regularities revealed are determined by the partial contributions of the M⁽¹⁾ and M⁽²⁾ cations to their combined, polarizing action on the uranyl complex and are explained by the ligand nature of its highest occupied molecular orbital.Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 71, No. 6, pp. 827–830, November–December, 2004.This revised version was published online in April 2005 with a corrected cover date.