Low temperature electrical conductivity and magnetoconductivity of Fe39Ni39Mo4Si6B12 and Co58Ni10Fe5Si11B16 metallic glass alloys

A detailed study on the weak localization phenomenon vis-a-vis electron-electron interaction effects in magnetic metallic glasses has been carried out. We measured the electrical conductivity and magnetoconductivity within the temperature range 1.8≤T≤300K. A maximum on the conductivity versus temperature curve exists atT=T _m. The conductivity was observed to follow aT ^1/2 law forT<T _m andT ² law forT>T _m. Magnetoconductivity data of these alloys indicate the prominence of electron-electron interaction at low temperatures. The authors have determined the inelastic scattering field and spin-orbit scattering field from the magnetoconductivity data. The inelastic scattering field obeys aT ^p law (p=2) at low temperatures.     

Scattering properties of the ultracold 133Cs2 triplet state

The elastic scattering properties of ultracold 133Cs2 triplet state are investigated in detail.We construct a potential curve of the 133Cs2 triplet state,based on the latest ab initio molecular potential data and show how the scattering parameters are obtained by using three methods:the Numerov method,the semiclassical method and the variable phase method,where the scattering lengths of the 133Cs2 triplet state,i.e.301.79a0,300.67a0 and 310.81a0 are obtained respectively,with a0 being the Bohr radius.We also calculate the effective range and the number of bound states for the 133Cs2 triplet state.Our results are in agreement with the recent experimental data and the theoretical calculations.This confirms that the results of the scattering properties of the ultracold 133Cs2 triplet state,calculated by using these three methods,are reliable.     

New measurements and reanalysis of 14N elastic scattering on 10B target

The angular distributions of elastic scattering of ¹⁴N ions on ¹⁰B targets have been measured at incident beam energies of 21.0 and 24.5 MeV. Angular distributions at higher energies 38–94.0 MeV (previously measured) were also included in the analysis. All data were analyzed within the framework of the optical model and the distorted waves Born approximation method. The observed rise in cross sections at large angles was interpreted as a possible contribution of the α-cluster exchange mechanism. Spectroscopic amplitudes SA₂ and SA₄ for the configuration ¹⁴N→ ¹⁰B +α were extracted. Their average values are 0.58±0.10 and 0.81±0.12 for SA₂ and SA₄, respectively, suggesting that the exchange mechanism is a major component of the elastic scattering for this system. The energy dependence of the depths for the real and imaginary potentials was found.     

6Li与核弹性散射的微观光学势

从基本的Dirac-Brueckner-Hartree-Fock微观理论出发,得到同时包含实部和虚部的核子-核散射的微观光学势,并利用折叠模型直接获得了核-核散射参数无关的整体微观光学势.考虑到核-核散射去弹过程高级项的贡献和⁶Li的碎裂效应,在微观光学势的实部和虚部中引入了修正因子N_R,N_I.系统研究了入射粒子⁶Li与靶核¹²C,²⁸Si,关键词： 弹性散射 Dirac-Brueckner-Hartree-Fock方法 折叠模型 微观光学势     

Al掺杂的尖晶石型LiMn2O4的结构和电子性质

采用基于密度泛函理论的第一性原理方法, 在广义梯度近似(GGA)和GGA+U方法下对尖晶石型LiMn₂O₄及其Al掺杂 的尖晶石型LiAl_0.125Mn_1.875O₄晶体的结构和电子性质进行了计算. 结果表明: 采用GGA方法得到尖晶石型LiMn₂O₄是立方晶系结构, 其中的Mn离子为+3.5价, 无法解释它的Jahn-Teller 畸变. 给出的LiMn₂O₄能带结构特征也与实验结果不符. 而采用GGA+U方法得到在低温下的LiMn₂O₄和其掺杂 体系LiAl_0.125Mn_1.875O₄的晶体都是正交结构, 与实验一致. 也能明确地确定Mn的两种价态Mn³⁺/Mn⁴⁺的分布并且能够说明Mn³⁺O₆的z方向有明显的Jahn-Teller 畸变, 而Mn⁴⁺O₆则没有畸变. LiMn₂O₄的能带结构与实验比较也能够符合. 采用GGA+U方法对Al掺杂体系的LiAl_0.125Mn_1.875O₄的研究表明, 用Al替换一个Mn不会明显地改变晶体的电子性质, 但可以有效地消除Al³⁺O₆ 八面体的Jahn-Teller畸变, 从而改善正极材料LiMn₂O₄的性能, 这与电化学实验的观察结果相一致.     

A polarized micro-Raman study of a 0.65PbMg1/3Nb2/3O3 - 0.35PbTiO3 single crystal

Polarized micro-Raman spectra of a 0.65PbMg_1/3Nb_2/3O₃-0.35PbTiO₃ (0.65PMN-0.35PT) single crystal poled in the [001] direction are obtained in a wide frequency range (50-2000 cm^-1) at different temperatures. The best fit to the Raman spectrum at 77 K is achieved using 17 Lorenzians to convolute into it, and this is proved to be a reasonable fit. According to the group theory and selection rules of overtone and combinational modes, apart from the seven Raman modes that are from first-order Raman scattering, the remaining ones are attributed to being from second-order Raman scattering. A comparison between the experimental results and theoretical predictions shows that they are in satisfactory agreement with each other. Our results indicate that at 77 K the sample belongs to the rhombohedral symmetry with the C_3v⁵ (R3m) space group (Z=1). In our study, on heating, the 0.65PMN-0.35PT single crystal undergoes a rhombohedral to tetragonal to cubic phase transition sequence. The two phase transitions occur at 340 and 440 K, which correspond to the disappearance of the soft mode near 106 cm^-1 recorded in VV polarization and the vanishing of the band around 780 cm^-1 in VH polarization, respectively.     

Analytical singlet α s4 QCD contributions into the e+e?-annihilation Adler function and the generalized Crewther relations

The generalized Crewther relations in the channels of the non-singlet and vector quark currents are considered. These relations follow from the double application of the operator product expansion approach to the same axial vector-vector-vector triangle amplitude in two regions, adjoining to the angle sides (x, y) (or p ², q ²). We assume that the generalized Crewther relations in these two kinematic regimes result in the existence of the same perturbation expression for two products of the coefficient functions of annihilation and deepinelastic scattering processes in the non-singlet and vector channels. This feature explains the conformal symmetry motivated cancellations between the singlet α _s ³ corrections to the Gross-Llewellyn Smith sum rule S _GLS of νN deep inelastic scattering and the singlet α _s ³ correction to the e ⁺ e ⁻-annihilation Adler function D _A ^V in the product of the corresponding perturbative series. Taking into account the Baikov-Chetyrkin-Kuhn fourth order result for S _GLS and the perturbative effects of the violation of the conformal symmetry in the generalized Crewther relation, we obtain the analytical contribution to the singlet α _s ⁴ correction to the D _A ^V function. Its a-posteriori comparison with the recent result of direct diagram-by-diagram evaluation of the singlet fourth order corrections to D _A ^V function demonstrates the coincidence of the predicted and obtained ζ₃²-contributions to the singlet term. They can be obtained in the conformal invariant limit from the original Crewther relation. Therefore, on the contrary to previous belief, the appearance of ζ₃-terms in the perturbative series in quantum field theory gauge models does not contradict to the property of the conformal symmetry and can be considered as regular feature. The Banks-Zaks motivated relation between our predicted and the obtained directly fourth order corrections is mentioned. It confirms the expectation, previously made by Baikov-Chetykin-Kuhn, that at the 5-loop level the generalized Crewther relation in the channel of vector currents may receive additional singlet contribution, which in this order of perturbation theory is proportional to the first coefficient of the QCD β function.     

O3+与H2碰撞中非解离电荷转移过程的全量子计算

应用全量子的分子轨道强耦合方法,研究了基态的O³⁺(2s²2p ²P)与氢分子碰撞的非解离电荷转移过程,计算了不同方位角(25°,45°,89°),能量分别为100,500,1000和5000eV/u时的单电子俘获的振动分辨的态选择截面及相应的微分截面.分子轨道强耦合计算中采用了自旋耦合价带理论计算的三原子分子势能面和径向耦合矩阵元.对氢分子的自身转动,采用无限阶的冲量近似方法;对体系的电子运动同H₂或H^{+< 关键词： 非解离电荷转移过程 全量子的分子轨道强耦合方法 无限阶冲量近似 振动冲量近似国家自然科学基金(批准号：10604011 10574020)和国家高技术研究发展计划(863)惯性约束聚变领域资助的课题.}     

Nature of optical properties of GdFe3(BO3)4 and GdFe2.1Ga0.9(BO3)4 crystals and other 3d5 antiferromagnets

Influence of the partial substitution of paramagnetic Fe³⁺ ions by diamagnetic Ga³⁺ ions in the trigonal crystal GdFe₃ (BO₃)₄ on its optical and magnetic properties is studied and discussed in connection with problems common for all antiferromagnets containing 3d ⁵ ions. Polarized optical absorption spectra and linear birefringence of GdFe₃ (BO₃)₄ and GdFe_2.1Ga_0.9 (BO₃)₄ single crystals have been measured in the temperature range 85–293 K. Specific heat temperature dependence (2–300 K) and structure of GdFe_2.1Ga_0.9 (BO₃)₄ crystal have been also studied. As a result of substitution of 30% Fe to Ga the Neel temperature diminishes from 38 till 16 K, the strong absorption band edge shifts on 860 cm^-1 (0.11 eV) to higher energy and the d-d transitions intensity decreases substantially larger than the Fe concentration does. Strong absorption band edge is shown to be due to Mott-Hubbard transitions. Correlation between position of the strong absorption band edge and the Neel temperature of antiferromagnets has been revealed. Properties of the doubly forbidden d-d transitions in the studied crystals and in other antiferromagnets are explained within the framework of the model of the exchange-vibronic pair absorption, which is theoretically analyzed in detail. The model permitted us to determine the connection between parameters of d-d absorption bands (intensity, width and their temperature dependences), on the one hand, and the exchange, spin-orbit and electron-lattice interactions, on the other hand.     

Nuclear resonance fluorescence in124Te and126Te: Vacancy cascades in molecules

Using gaseous sources of I₂ and HI containing the radioactive isotopes¹²⁴I and¹²⁶I effective cross sections for nuclear resonance scattering from the first 2⁺ states of¹²⁴Te and¹²⁶Te were measured. Information is obtained about the charging of the nonradioactive molecular partner afterEC decay, the interaction of highly charged ions with neutral molecules, and the slowing down of atoms in a Xe buffer gas. Indications of an iodine complex being stable in the gaseous phase are found.     

dt, d3He, and pα scattering in the vicinity of the 5He* and 5Li* resonances

It is shown that the simplest strong-interaction models (those that employ the Breit boundary condition and a delta-function potential) involving only three free parameters describe adequately the properties of the dt and d ³He systems in the vicinity of the ⁵He*(3/2⁺) and ⁵Li*(3/2⁺) resonances—that is, at energies in the regions E≲3E _C and E≲2E _C where E _C is the corresponding Coulomb energy. For these systems, the complex values of the scattering length, of the effective range, and of the shape parameter are extracted from experimental data on the reaction cross section and proton polarization in pα scattering (in the case of the d ³He system). The astrophysical function is extrapolated to the low-energy region (0≤E<0.1E _C), which is of importance for thermonuclear investigations, but which is hardly accessible to direct measurements. __________ Translated from Yadernaya Fizika, Vol. 66, No. 1, 2003, pp. 89–99. Original Russian Text Copyright ? 2003 by Kulik, Mur.     

EPR of Fe3+ ion and symmetry of [AIF5·H2O]2? complex ion in (NH4)2AIF5·H2O single crystals

We used the spin-Hamiltonian method for the analysis of the electron paramagnetic resonance (EPR) spectrum of Fe³⁺ as a probe ion in (NH₄)₂AlF₅·H₂O single crystalline basic material. The theoretical expressions for the magnetic field (at which the fine structure transition lines appear) versus the angle between the magnetic field and the axis of symmetry of the magnetic complex are also given. These values were calculated by applying the perturbation theory to the second-order terms. From the experimental results (at 300 K and 9.21 GHz), the spin-Hamiltonian parameters were deduced:D=(668±10)·10⁻⁴ T,E=(−56±10)·10⁻⁴ T,a=(−54±10)·10⁻⁴ T,F=(30±10)·10⁻⁴ T. An isotropic superhyperfine structure was evidenced for the five fluorine ions. The obtained EPR data were used to determine the local symmetry of the Al³⁺ ion. A good agreement with X-ray diffraction measurements was found.     

Structural changes of piezoelectric La3Ga5SiO14 induced by paramagnetic ions revealed by Ga multiple quantum magic angle spinning

Experimental evidence that nuclear magnetic resonance (NMR) can detect structural changes of piezoelectric La₃Ga₅SiO₁₄ induced by dilute paramagnetic ions is presented. Gd³⁺ and Eu³⁺ cations have been incorporated into La₃Ga₅SiO₁₄ monocrystals. As expected, the line-width of the tetrahedral ²⁹Si magic angle spinning (MAS) NMR spectra as well as the inverse of the T₂ relaxation time of ⁷¹Ga increases with the concentration of the paramagnetic ions. A surprising result is shown by ⁷¹Ga multiple quantum (MQ) MAS NMR spectrum, which changes with the concentration of paramagnetic ions. The changes in the ⁷¹Ga MQMAS spectra can be explained by a more ordonated distribution of Ga ions inside the oxygen tetrahedra. The ⁷¹Ga MQMAS NMR spectra allow identification of the one octahedral and two tetrahedral Ga sites.     

La0.67Sr0.08Na0.25MnO3的奇特输运性质及CMR效应

用固相反应法制备了La_0.67Sr_0.08Na_0.25MnO₃样品.通过磁化强度-温度(M-T)曲线、电阻率-温度(ρ-T)曲线以及ρ-T拟合曲线研究了样品的输运性质及庞磁电阻(colossal magnetoresistance，CMR)效应.结果表明，ρ-T曲线和磁电阻-温度(MR-T)曲线均出现双峰现象；高温峰是伴随顺磁-铁磁(PM-FM)相变出现绝缘体-金属(I-M)相变，低温峰是颗粒界面效应；两个绝缘相输运机理不同：较低温度下(248K<T<274K)，ρ(T)符合极化子的可变程跃迁模型，而在更高温区(330K<T<374K)，ρ(T)符合极化子近邻跃迁模型；两个类金属相输运机理也不同：在低温区(67K<T<186K)，满足ρ-T^2.5关系，输运机理是自旋波散射和电-磁子散射作用，而在高温区(292K<T<304K)，满足ρ-T²关系，输运机理是单磁子散射作用. 关键词： 庞磁电阻 金属-绝缘体转变 晶界效应 输运行为     

Electron hopping and optic phonons in Eu3S4

Raman scattering on single crystals of Eu₃S₄ does not show the allowed q=o phonon modes in the cubic phase and exhibits no new modes in the distorted low temperature phase (T<186 K). Above the Curie temperature T_c=3.8 K the scattering is dominated by a spin-disorder induced one-phonon density of states allowing for the observation of the zone boundary phonon breathing mode of the S^2?ions. This mode does not show any anomaly near the charge order -disorder phase transition T_t=186 K. Temperature tunable spin fluctuations associated with the temperature activated Eu²⁺→Eu³⁺ electron hopping are detected in the scattering intensity, superimposed on the usual thermal spin disorder.     

Thermal conductivity of KMgF3 : Cr2+

Observations of resonant scattering of thermal phonons Cr²⁺ ions in KMgF₃ are presented. The results are interpreted with the cluster model of Fletcher and Stevens.     

Co3+离子自旋态对六方相LaCoO3的低指数晶面稳定性影响的密度泛函理论研究

By the first-principles calculations,most studies indicated that the (11102)-CoO₂ termination of LaCoO₃ cannot be stabilized,which disagrees with the experimental observation.Besides the crystal structure,we found that the spin states of Co³⁺ ions could affect surface stability,which previously were not well considered.By examining the different states of Co³⁺ ions in hexagonal-phase LaCoO₃,including low spin,intermediate spin,and high spin states,the surface grand potentials of these facets are calculated and compared.The results show that the spin states of Co³⁺ ions have an important influence on stability of the LaCoO₃ facets.Different from the previous results,the stability diagrams demonstrate that the (11102)-CoO₂ termination can stably exist under O-rich condition,which can get an agreement with the experimental ones.Furthermore,the surface oxygen vacancy formation energies (E_Ov) of stable facets are computed in different spin states.The E_Ov of these possible exposed terminations strongly depend on the spin state of Co³⁺ ions:in particular,the E_Ov of the HS states is lower than that of other spin states.This indicates that one can tune the properties of LaCoO₃ by directly tuning the spin states of Co³⁺ ions.     

Neutron scattering study of NH4+ Motion in NH4+ β-alumina

Incoherent inelastic neutron scattering has been used to study the motion of NH₄⁺ ions in NH₄⁺ β-alumina. The results establish that jump reorientation of NH₄⁺ ions is rapid compared to translational diffusion: The data are consistent with thermally activated jumps between equivalent NH₄⁺ orientations with a proton jump frequency of $\text{~1.0 × 10}{}^{12}\text{sec}$ at room temperature.The data are inconsistent with either free rotation or unrestricted rotational diffusion. The residence time between translational diffusion jumps is >6 × 10^?11 sec at temperatures less than 473°K.     

Non-evidence for Z 1 oscillations of the nuclear ion-atom interaction in an amorphous target

Periodic variations in the Z ₁ dependence of the interatomic potential has recently bevlen revealed by a channeling technique. To search for oscillations of similar kind in a target of randomly arranged atoms we have made systematic measurements on the scattering distributions of energetic (32–56 keV) ions in amorphous carbon. Our technique was to transmit light mass ions through carbon foils with a thickness of 2–4 μg/cm². The atomic number of the ions, Z, ranged from 3 to 18. The scattering distribution of the transmitted particles was recorded. From these curves the angular halfwidth,ψ ^1/2, and the relative intensity at a scattering angle 2.5 times ψ ^1/2 was determined. The experimental values are in good agreement with theoretical calculations based on the Thomas-Fermi and Lenz- Jensen potentials. Furthermore, the saturation value of the mean nuclear stopping cross sections for ions scattered in the straight forward direction with a mean energy of 50 keV are given. No evidence for a Z ₁ oscillatory behaviour could be found in any of the three parameters investigated.     

Soliton-antisoliton scattering and capture in λφ4 theory

In this work we have investigated the result of collisions of a soliton-antisoliton pair for various incident velocities in λφ⁴ theory through a series of numerical experiments. It is observed for incident velocities less than a critical velocity V_crit that we have two narrow regions in the velocity spectrum where the result of collision is a scattering of particles along with the emission of some radiation. Outside these two narrow windows the incident particles are captured and form resonances. For velocities greater than V_crit scattering is always obtained and it is found that the square of the outcoming velocity is a linear function of the square of the incoming velocity. From the approximate solution found, an effective potential for widely separated solitons is derived.