应用分子子图指数估计与预测烷烃核磁共振碳谱位移和

系统地研究了核磁共振碳谱(¹³C NMR)与化学位移规律及其定量构谱关系(QSSR).本文研究了一组多元素分子子图指数矢量(VMSG),并发现它与烷烃化学位移和(CCSA)有很好线性相关性.采用多元线性回归(MVLR)进行准确估计与预测,结果良好.     

应用分子子图指数估计与预测烷烃核磁共振碳谱位移和

系统地研究了核磁共振碳谱(¹³C NMR)与化学位移规律及其定量构谱关系(QSSR).本文研究了一组多元素分子子图指数矢量(VMSG),并发现它与烷烃化学位移和(CCSA)有很好线性相关性.采用多元线性回归(MVLR)进行准确估计与预测,结果良好.     

Study on the local structure of (CrO6) complex in garnet crystals by optical and EPR spectrum

The local lattice structure distortions for YAG and YGG systems doped with Cr³⁺ have been investigated by the d³ configuration complete energy matrices which contain the Zeeman energy besides the electron–electron interaction, the trigonal crystal field as well as the spin–orbit coupling interaction. The local lattice structure parameters R and θ of (CrO₆)⁹⁻ complex are determined for Cr³⁺ in YAG and YGG systems, respectively. The calculated results show that the local lattice structures have expansion distortions, which almost tend to the same after distortions. Meanwhile, the EPR parameter D, g factors (g_||, g) and optical spectrum of these systems have been interpreted uniformly by quantitative calculation. It is shown that the effect of the orbit reduction factor k on g factors (g_||, g) cannot be ignored.     

In-band M1 and E2 transition rates and collective structures in Ba

Subpicosecond mean lifetimes of eight excited states in ¹²⁸Ba populated via the ⁹⁶Zr(³⁶S,4n) reaction were measured by the Doppler-shift attenuation (DSA) technique using a line-shape analysis. The differential decay-curve method (DDCM) was applied for the lifetime determination. The B(E2) values in the yrast band indicate that the first band-crossing is with a proton S-band. The configuration πh_11/2d_5/2 of the negative-parity semi-decoupled bands is confirmed by the measured B(E2, I → I − 2) and B(M1, I → I − 1) transition strengths. The higher-lying “dipole” band in ¹²⁸Ba can be described as a high-K four-quasiparticle band built on the prolate configuration (πh_11/2d_5/2) (νh_11/2g_7/2).     

外加电场和Al组分对纤锌矿AlGaN/GaN量子阱中的电子g因子的影响

研究了外加电场和垒层的Al组分对AlGaN/GaN量子阱中的横向和纵向g因子(g⊥和g//)及其各向异性(δg)的影响.纤锌矿体结构的贡献(S_//~(bulk)和g⊥)是构成g⊥=(g//-g_0)=g_//~(bulk)的主要部分,但g_//~(bulk)和g⊥的差值很小且几乎不随外加电场和Al组分改变.当外加电场的方向同极化电场的方向相同(相反)且增加时,g_//~(bulk)和g_⊥~(bulk)的强度同时增加(减小).当外加电场从-1.5×10~8 V·m~(-1)到1.5×10~8 V·m~(-1)变化时,异质结界面对g⊥的贡献(Γ_(Inter))大于0且强度缓慢增加,阱层对g⊥的贡献(Γ_W)小于0且强度也缓慢增加.然而Γ_(Inter)的强度比Γ_w大,且后者的强度随着外加电场的改变增加较快,所以δg0且强度随着外加电场的变化而减小.当垒层的Al组分增加时,如果不考虑应变效应(S_(1,2)=0),g_//~(bulk)和g⊥的强度同时减小,然而考虑应变效应后(S_(1,2)≠0),β_1g⊥和γ1(g_//~(bulk))的强度随着Al组分的增加而增加.随着垒层Al组分的增加,Γ_(Inter)和Γ_w的强度都增加,但Γ_(Inter)的强度较大且增加得较快,所以的的强度缓慢增加.g⊥的强度先随着Al组分的增加而减小,然后又随着Al组分的增加而增加,因为g⊥小于0且强度随着Al组分增加得很快.结果表明,AlGaN/GaN量子阱结构中的电子g因子及其各向异性可以被外加电场、垒层的Al组分、应变效应和量子限制效应共同调制.     

New evidence for a subshell gap at N=32

An 879.9(2) keV γ-ray transition has been identified following the β decay of ⁵⁸V and assigned as the 2⁺₁→0⁺₁ transition in ⁵⁸Cr₃₄. A peak in the energies of the first excited 2⁺ states for the even–even chromium isotopes is now evident at ⁵⁶Cr₃₂, providing empirical evidence for a significant subshell gap at N=32. The appearance of this neutron subshell closure for neutron-rich nuclides may be attributed to the diminished π1f_7/2–ν1f_5/2 monopole proton–neutron interaction as protons are removed from the 1f_7/2 single-particle orbital.     

Generalized Einstein manifolds

A Finslerian manifold is called a generalized Einstein manifold (GEM) if the Ricci directional curvature R(u,u) is independent of the direction. Let F⁰(M, g_t) be a deformation of a compact n-dimensional Finslerian manifold preserving the volume of the unitary fibre bundle W(M). We prove that the critical points g₀ F⁰(g_t) of the integral I(g_t) on W(M) of the Finslerian scalar curvature (and certain functions of the scalar curvature) define a GEM. We give an estimate of the eigenvalues of Laplacian Δ defined on W(M) operating on the functions coming from the base when (M, g) is of minima fibration with a constant scalar curvature H admitting a conformal infinitesimal deformation (CID). We obtain λ ≥ H/(n − 1) (Δf = λf). If M is simply connected and λ = H/(n − 1), then (M, g) is Riemannian and is isometric to an n-sphere. We first calculate, in the general case, the formula of the second variationals of the integral I (g_t) for G = g₀, then for a CID we show that for certain Finslerian manifolds, I″(g₀) > 0. Applications to the gravitation and electromagnetism in general relativity are given. We prove that the spaces characterizing Einstein-Maxwell equations are GEMs.     

Some properties of the spectral flow in semiriemannian geometry

Let be the action integral on a semiriemannian manifold ( , g) defined on the space of the curves z : [0, 1] → joining two given points z₀ and z₁. The critical points of ƒ are the geodesics joining z₀ and z₁. Let s ε [0, 1]. We study the behavior, in dependence of s, of the eigenvalues of the Hessian form of ƒ evaluated at z, restricted to the interval [0, s]. A formula for the derivative of the eigenvalues is given and some applications are shown.     

三角对称晶场下d8电子组态的EPR参量的普遍公式及其应用

本文考虑到d⁸电子组态中所有自旋三重态和自旋单态对基态的影响,用高阶微扰法导出了d⁸电子组态在三角对称晶场下光谱和基态EPR普遍公式。发现在三角对称晶场下,d⁸电子组态离子的g_⊥ > g_‖或g_⊥ < g_‖和D > 0或D < 0是以立方对称晶场为界,晶体中顺磁离子的配体沿C₃轴伸长或压缩所致。利用所得公式计算了NiCl₂和NiSiF₆·6H₂O晶体的EPR参量,其结果与实验吻合较好。     

The structure of the Newtonian limit

We consider a smooth one-parameter family of four-dimensional manifolds X,≥0, each one endowed with a covariant metric g. It is assumed that g is a Lorentz metric for each >0, i.e., the signature of g is (+,−,−,−) for >0, while the limit metric g₀ on X₀ is assumed to be degenerated of rank 1, i.e., the signature of g₀ is (+,0,0,0). We characterize when the limit manifold X₀ inherits the geometric structure of a Newtonian gravitation. The limit manifold X₀ is a Newtonian gravitation if and only if there exist the limits of the Levi-Civita connection , the curvature operator and the contravariant Einstein tensor G² as →0. Moreover, the existence of these limits is characterized in terms of the Taylor expansion of the family {g} with respect to the parameter .     

Measurement of the average polarization of B produced by polarized muons in the μ + C → νμ + B reaction

The average polarization of ¹²B produced by the capture of polarized muons in ¹²C has been measured using recoil implantation techniques. From the result we deduce the average polarization of the ¹²B ground state ¹²B(0) corresponding to the ¹²C → ¹²B(0) Gamow-Teller reaction: J_μ(0) = 0.43 ± 0.10. The sizeable deviation of this polarization from the value of 2/3, characteristic of a “bare” 0⁺ → 1⁺ process, is a fair evidence for induced axial-vector interaction(s) in muon capture. The ratio of the induced pseudoscalar and the axial-vector coupling constants is deduced to be: g^μ_P/g^μ_A = 12 ± 5.     

Influence of electromagnetic fluctuations on the resonant tunneling of electrons

We have considered the influence of electromagnetic fluctuations on electron tunneling via one non-degenerate resonant level, the problem that is relevant for electron transport through quantum dots in the Coulomb blockade regime. We show that the overall effect of the fluctuations depends on whether the electron bands in external electrodes are empty or filled. In the empty band case, depending on the relation between the tunneling rate Γ and characteristic frequency Ω of the fluctuations, the field either simply shifts the conductance peak (for rapid tunneling, Γ Ω) or broadens it (for Γ Ω). In the latter case, the system can be in three different regimes for different values of the coupling g between electrons and the field. Increasing interaction strength in the region g < 1 leads to gradual suppression of the conductance peak at the bare energy of the resonant level ε₀, while at g 1 it leads to the formation of a new peak of width at the energy ε₀ + E_cis a charging energy. For intermediate values of g the conductance is non-vanishing in the entire energy range from ε₀ to ε₀ + E_c. For filled bands the problem is essentially multi-electron in character. One consequence of this is that, in contrast to the situation with the empty band, the fluctuations of the resonant level do not suppress conductance at resonance for g < 1. At g> 1 a Coulomb gap appears in the position of the resonant level as a function of its bare energy which leads to suppression of conductance.     

金属核的磁共振研究*Ⅱ含磷配体铂(Ⅱ)络合物的195Pt和31P-NMR谱

本文测定了12个含苯基环戊基磷、亚磷酸、卤素等配体的铂(Ⅱ)络合物的¹⁹⁵Pt、³¹P-NMR谱,考察了溶剂、浓度、温度对¹⁹⁵Pt谱的影响,研究了¹⁹⁵Pt、³¹P化学位移、偶合常数与络合物几何构型的关系及对卤素的依赖关系。讨论1,2-丙二胺溶液中络合物³¹P谱的变化,以及各种含亚磷酸配体的铂络合物¹⁹⁵Pt和³¹P谱的变化。     

Renormalization group invariant matrix elements of ΔS=2 and ΔI=3/2 four-fermion operators without quark masses

We introduce a new parameterization of four-fermion operator matrix elements which does not involve quark masses and thus allows a reduction of systematic uncertainties. In order to simplify the matching between lattice and continuum renormalization schemes, we express our results in terms of renormalization group invariant B-parameters which are renormalization-scheme and scale independent. As an application of our proposal, matrix elements of ΔI=3/2 and SUSY ΔS=2 operators have been computed. The calculations have been performed using the tree-level improved Clover lattice action at two different values of the strong coupling constant (β=6/g²=6.0 and 6.2), in the quenched approximation. Renormalization constants and mixing coefficients of lattice operators have been obtained non-perturbatively. Using lowest order χPT, we also obtain ππ|O₇|K^NDR_I=2=(0.11±0.02) GeV⁴ and ππ|O₈|K^NDR_I=2=(0.51±0.05) GeV⁴ at μ=2 GeV.     

Nuclear properties of Z=114 isotopes and shell structure of ~(298)114

The two-neutron separation energies(S_(2n)) and α-decay energies(Q_α) of the Z=114 isotopes are calculated by the deformed Skyrme-Hartree-Fock-Bogoliubov(SHFB) approach with the SLy5,T22,T32 and T43 interactions.It is found that the tensor force effect on the bulk properties is weak and the shell closure at N=184 is seen evidently with these interactions by analyzing the S_(2n) and Q_α evolutions with neutron number N.Meanwhile,the single-particle energy spectra of ~(298)114 are studied using the spherical SHFB approach with these interactions to furthermore examine the shell structure of the magic nucleus ~(298)114.It is shown that the shell structure is almost not changed by the inclusion of the tensor force in the Skyrme interactions.Finally,by examining the energy splitting of the three pairs of pseudospin partners for the protons and neutrons of ~(298)114,it is concluded that the pseudospin symmetry of the neutron states is preserved better than that of the proton states and not all of the pseudospin symmetries of the proton and neutron states are influenced by the tensor force.     

Two separate Li ionic motions observed by Li and B NMR in xLi2S + (1 − x)B2S3 glassy fast ionic conductors

Studies of ion dynamics in the highly conductive glassy fast ionic conductor (FIC) xLi₂S + (1 − x)B₂S₃ (x = 0.65 and 0.70) were made with NMR nuclear spin lattice relaxation (NSLR) R₁(ω, T) of both mobile ⁷Li and immobile ¹¹B ions, and ⁷Li NMR line narrowing δν(T). The possible dependence of ion dynamics on the short range order structures (SRO) and the distribution of activation energies (DAE) in this highly conductive FIC was investigated. Two Gaussian DAE were employed to fit ⁷Li NSLR data, where each Gaussian DAE was correlated to a separate ¹¹B NSLR in a BS₃ and in a BS₄ group. The long range diffusion of Li ions among BS₃ groups and a seemingly localized ionic hopping motion around BS₄ group is suggested as a microscopic model for the ion dynamics in thioborate glasses, namely a ‘two channel relaxation’.     

ZnAl2O4:Cr3+晶体4A2基态ZFS及其三角晶格畸变研究

用对角化哈密顿矩阵的方法,借助New man晶场叠加模型,研究了ZnAl₂O₄:Cr³⁺晶体的基态零场分裂(ZFS)及其电子光谱,理论结果与实验一致.定量研究表明,掺杂晶体ZnAl₂O₄:Cr³⁺中,络离子(CrO₆)^9-局域结构应有压缩的三角畸变(△θ=3.06°).同时指出,自旋二重态对⁴A₂基态ZFS参量b₂⁰的贡献不可忽略,而对g因子的贡献甚微.     

Theoretical studies of spin-Hamiltonian parameters for Ni ions in CsMgX3 (X=Cl, Br, I) crystals from the two-mechanism model

In this paper, the high-order perturbation formulas of spin-Hamiltonian (SH) parameters (g factors g, g and zero-field splitting D), including both the crystal-field (CF) and for the first time charge-transfer (CT) mechanisms, are established for 3d⁸ ions in trigonal octahedral clusters. By using these formulas, the SH parameters of Ni²⁺ ions in CsMgX₃ (X=Cl, Br, I) crystals are calculated. The results are consistent with the experimental values. The calculations suggest that the sign of Q^CT (Q=Δg, Δg or D, where the g-shift Δg_i=g_i−g_e, g_e≈2.0023 is the value of free-electron) due to CT mechanism is the same as that of the corresponding Q^CF due to CF mechanism, and the relative importance of CT mechanism (characterized by Q^CT/Q^CF) increases with the increasing atomic number of ligand X. So, for the 3dⁿ ML_m clusters with ligand having large atomic number, the reasonable theoretical explanations of all SH parameters should take both CF and CT mechanisms into account. The defect structure of (NiX₆)⁴⁻ impurity centers in CsMgX₃:Ni²⁺ crystals is also considered in our model.     

Measurement of transition quadrupole moments of high-spin states in the N=74 isotones Pr, Ce and La

The Doppler-Shift Attenuation Method has been used to extract transition quadrupole moments of high-spin bands in the N=74 isotones ¹³³Pr, ¹³²Ce and ¹³¹La, produced in the ³⁷Cl + ¹⁰⁰Mo reaction. The results appear to be configuration dependent and, for ¹³³Pr and ¹³²Ce, the involvement of Ω=1/2 νh_9/2 and νf_7/2 intruder orbitals appears to enhance the collectivity at high spin (I>25 ).