Analysis of probabilities for nuclear excitation by near-resonant electronic transitions

Theoretical results are presented for nuclear excitation of low-lying isometric states of ¹⁹⁷Au, ¹⁸⁹Os and ²³⁷Np by a near-resonant electronic deexcitation process known as NEET. A detailed comparison is made between current and previous theoretical results in order to clarify a number of anomalies. For ¹⁹⁷Au, the only case in which the current experimental precision appears to be sufficient to provide a stringent test of theory, the theoretical result for the NEET probability is P_NEET=3.6×10⁻⁸. This is a factor of three lower than previous theoretical results and reduces the difference between theory and the recent experimental result, P_NEET=(5.0±0.6)×10⁻⁸, to a level of approximately 2σ.     

Quadrupole interactions in pionic and muonic tantalum and rhenium

The hyperfine splitting of pionic and muonic X-rays in natural Re has been studied using the known ratio (accurate to 1.6 parts in 10⁵) of the quadrupole moments of the two naturally occurring ¹⁸⁵Re and ¹⁸⁷Re isotopes. From the hyperfine splitting of the ⁵g → 4f and 4f → 3d pionic X-rays the effective quadrupole hyperfine constants were determined to be ¹⁸⁷A₂^eff(4f) = 1.163 ± 0.010 keV and ¹⁸⁷A₂^eff(3d) = 5.39 ± 0.63 keV, giving strong interaction quadrupole shifts ₂(4f) = 46 ± 10 eV and ₂(3d) = 1.3 ± 0.6 keV. The strong interaction monopole shifts ₀ and widths Γ₀ of the 5g, 4f and 3d levels have also been measured. For the two higher orbits, standard optical-potential calculations fit the measured shifts and widths quite well. The observed deeper-lying 3d state, however, has shifts and widths that differ by a factor of 2 or more from the predictions. From the measured quadrupole hyperfine constants of the 4f level we calculate the spectroscopic quadrupole moments to be ¹⁸⁷Q^μ(gm) = 2.09 ± 0.04 b, ¹⁸⁷Q^π = 2.07 ± 0.02 b, ¹⁸⁵Q^μ = 2.21 ± 0.04 b, and ¹⁸⁵Q^π = 2.1 addition, muonic X-rays from ¹⁸¹Ta were observed; using the same methods for determining the quadrupole moment as above, a value of ¹⁸¹Q^μ = 3.28 ± 0.06 b was obtained, in good agreement with earlier published data.     

Sub-Doppler spectroscopy by sub-micron thin Cs vapour layer

A unique extremely thin cell (ETC) with the thickness of Cs atomic vapour layer in the range of 150–300 nm has been developed for the first time. All six hyperfine transitions of D₂ line (852 nm) of Cs, i.e. 6S_1/2(F=3)→6P_3/2(F=2–4) and 6S_1/2(F=4)→6P_3/2(F=3–5) are very well resolved in the transmission and fluorescence spectra, whereas in a cell of usual length they are not resolved due to Doppler broadening. It is demonstrated that a robust and widely used simple laser-diode technique is enough to observe separately atomic hyperfine transitions at the intensity up to 100 mW/cm² thanks to the ETC usage. We report also the first results obtained with the new ETC of 300 nm thickness filled with natural Rb. The usage of ETC allowed us to completely resolve each particular hyperfine transition of both ⁸⁵Rb and ⁸⁷Rb isotopes in D₁ line fluorescence spectrum.     

Doppler-free optoacoustic spectroscopy

The first observation of Doppler-free optoacoustic spectroscopy is reported. As a first example the P (193) line of the 11-0 band of the B←X transition of ¹²⁷I₂ is used. The output of cw single mode dye laser is split into two equal intensity beams chopped at frequencies ω₁ and ω₂. The nonlinear compoment of the optoacoustic signal at the frequency (ω₁ + ω₂) is detected and Doppler-free resolution is obtained. Comparing the Doppler-free optoacoustic and fluorescence spectra of iodine measured under similar conditions, good agreement is found. Since optoacoustic and fluorescence methods complement each other, this opens up new possibilities for weakly or nonfluorescing molecules.     

Al2O3吸附[Cu(H2O)6]2+基团的自旋哈密顿参量和四角畸变

采用微扰方法和对角化完全能量矩阵法计算了Al₂O₃粉末吸附的四角对称[Cu(H₂O)₆]²⁺基团的自旋哈密顿参量（g因子g∥,g_⊥和超精细结构常数A_∥和A_⊥）. 计算结果表明用这两种理论方法计算的自旋哈密顿参量很接近,并且都与实验结果比较一致. 表明这2种方法都可用于晶体中3d9离子基团的自旋哈密顿参量的研究,通过计算,我们还获得了[Cu(H₂O)₆]²⁺基团四角畸变的大小,并对结果进行了讨论.     

Analysis of the scattering of 46 MeV protons from Be and C

An analysis is made of the measurements of the elastic and inelastic scattering of 46 MeV protons by ³Be and ¹²C. The optical and collective models are used. There is considerable ambiguity in the optical parameters, and it was not found possible to obtain good fits to cross sections and polarizations simultaneously. Large quadrupole deformations were found for both ¹²C (β₂ ≈ 0.6) and ⁹Be(β₂ ≈ 1). The inelastic scattering from ¹²C agrees best with deformation of both real and imaginary parts of the optical potential, while ⁹Be shows a preference for real coupling. The 14.1 MeV level in ¹²C is interpreted as the 4⁺ rotational state, while the angular distribution for the 7.6 MeV 0⁺ level is well described by double quadrupole excitation via the lowest 2⁺. Interpretations are suggested for other inelastic transitions, including the excitation of spin and isospin oscillations.     

Mössbauer-effect studies of multilayers and interfaces

The usefulness of Mössbauer spectroscopy for the investigation of magnetic multilayer systems is described. By applying ⁵⁷Fe Mössbauer spectroscopy, the behavior of ultrathin magnetic layers, such as FCC-like Fe films on Cu(0 0 1), is studied. Position-specified (depth-selective) information is available by preparing samples in which monatomic ⁵⁷Fe probe layers are placed at specific vertical positions, e.g. at interfaces or at the surface. As demonstrated for epitaxial chemically ordered Fe₅₀Pt₅₀ alloy films and polycrystalline nanostructured Tb/Fe multilayers, the Fe-spin structure can be determined directly, and a site-selective Fe-specific magnetic hysteresis loop can be traced in very-high-coercivity materials. For the studies of non-magnetic layers, on the other hand, hyperfine field observations by ¹⁹⁷Au and ¹¹⁹Sn probes are worthwhile. Spin polarizations in Au layers penetrating from neighboring ferromagnetic 3D layers are estimated ¹⁹⁷Au from Mössbauer spectra and are also studied by inserted ¹¹⁹Sn probes in Au/3D multilayers. In the Sn spectra for Cr/Sn multilayers, it was found that remarkably large spin polarization is penetrating into Sn layers from a contacting Cr layer, which suggests that Cr atoms in the surface layer have a ferromagnetic alignment.     

Ranges of 0.2-1.0 GeV/nucleon heavy ions in nuclear photoemulsion

Heavy nuclei transport in matter are studied experimentally and theoretically. Our experimental range and straggling values of 0.2 – 1.0 GeV/nucleon ²⁰Ne, ⁴⁰Ar, ⁵⁶Fe, ¹⁹⁷Au and ²³⁸U nuclei in BR-2 nuclear photoemulsion are presented and compared with model calculations carried out according to our RANGE-program and the PRAL-model (version of 1987) developed by Ziegler et al. The presented data analysis points at the necessity to take into account Z³-correction in Bete-Bloch formula when ionization losses of very heavy multicharge ions (for example ¹⁹⁷Au and ²³⁸U) are calculated. The comparison of experimental and calculated results showed that RANGE program can correctly calculate the ranges and straggling of heavy ions. The difference between experimental and theoretical data do not exceed 5% in all of the cases examined. PRAL model describes the heavy ion ranges quite adequately, but overestimates the particle range straggling.     

Infrared reflection-absorption spectroscopy of dipole-forbidden adsorbate vibrations

Formally dipole-forbidden adsorbate vibrational modes have recently been detected using infrared reflection-absorption spectroscopy (IRAS). In an earlier publication we have proposed that the excitation of these modes is indirect, mediated by the metal electrons and closely related to the concept of surface resistivity. Here we extend that theory to lower frequencies; for parallel adsorbate vibrations the theory predicts an anti-absorption resonance with an unique asymmetry which only depends on the ratio ω₀/ω₁ between the adsorbate vibrational frequency ω₀ and ω₁ = v_F/δ where v_F is the Fermi velocity and δ = c/ω_p the skin depth. The theory is in very good agreement with the IRAS measurements of Hirschmugl et al. [Phys. Rev. Lett. 65 (1990) 480] for CO on Cu(100) and in qualitative agreement with the measurements of Lin et al. [Phys. Rev. B 48 (1993) 2791] for CO on Ni(100).     

Spectral intensities in the ν1 band of NH3

Intensities have been measured for individual transitions in the Q and R branches of the ν₁ band of NH₃ using a difference-frequency laser spectrometer. The data yield an integrated band strength of S⁰_v=219.36±1.03 cm^-2/MPa at 297 K, corresponding to a transition moment of μ_v = 8.535(20) × 10^-32 C·m, and a Herman-Wallis correction factor, (1 + _jm)², where _j = 0.0209(20). The intensities of a few lines for K 7 were noticeably perturbed by a perpendicular Coriolis interaction with 2ν₄ (E, L = 2), so were excluded from the fit. A small sample of ν₃ band lines occurring in the ν₁ band scans also yields a rough estimate of the ν₃ band intensity with evident irregular perturbations.     

High-spin study of Xe

High-spin states have been populated in ₅₄¹¹⁹Xe via the ⁹⁶Mo(²⁷Al,p3n) reaction at 133 MeV, using the γ-ray spectrometer to record triple γ-ray coincidences. The known level scheme has been significantly extended and several band crossings identified. In particular, the νh_11/2 yrast band has been extended to I^π = (83/2⁻) and shows features which are consistent with those of smooth band termination at high spin. Theoretical results for ¹¹⁹Xe at high spin are discussed within the framework of cranked Nilsson-Strutinsky calculations, together with results for ¹¹⁷Xe.     

Intensities of line features in vibration-rotational bands 2–0 to 6–0 of NO XΠr and experimental evaluation of a radial function for electric dipolar moment

We measured the strengths of individual line-like features, representing unresolved Λ doublets, in vibration-rotational bands 2–0 to 6–0 of ¹⁴N¹⁶O within each substate of electronic ground state X²Π_1/2,3/2 in mid and near infrared regions. Analyses of these data to derive values of matrix elements for vibrational transitions enabled production of a radial function for electric dipolar moment, containing seven parameters, that satisfactorily reproduces the intensities of about 700 such features for vibrational states up to ν = 6.     

Photoproduction of Θ and other pentaquark states

We present constraints on the relative photoproduction cross sections of positive parity pentaquark states, Σ₅, Λ₅, and N₅, based on a minimum phenomenology gained in and their baryon–meson couplings as in the work of Close and Dudek. The possibility of anomalous signals in γp→K⁰_S(Θ⁺;Σ_d⁺) is discussed. We emphasize the importance of comparing with “conventional” states such as γN→KΣ(1660).     

Magnetic moments and Fe hyperfine field interactions in Y(Fe1−xRux)2 ternaries

Measurements of magnetization and ⁵⁷Fe Mössbauer spectra have been made for Y(Fe_1−xRu_x)₂. The C15 type cubic structure is stabilized for xx 0.7. The C15 compounds is ferromagnetic with T_c200 K and its saturation moment decreases monotonically with increasing x, while the ⁵⁷Fe hyperfine field decreases only slightly with x. From these results, it is deduced that the Ru atoms have an induced moment of ≈1μ_B in the range x 0.2. In the C14 type phase, no magnetic ordering develops even at 4.2 K.     

Experimental and theoretical 31P and 77Se nuclear magnetic shielding tensors for bis(dineopentoxyphosphorothioyl) diselenide

An intergrown crystal of two phases of bis(dineopentoxyphosphorothioyl) diselenide 1 was investigated by goniometer ³¹P NMR. From the angular dependence of the chemical shift, the tensors of a triclinic and a monoclinic phase were determined. The principal values σ₁₁, σ₂₂, and σ₃₃ of the absolute nuclear magnetic shielding tensors for the triclinic phase are 134.1, 227.2, and 375.5 ppm and for the monoclinic phase are 132.4, 227.8, and 374.2 ppm, respectively. In both cases, the principal axis 3 of the ³¹P tensor is directed nearly along the P=S bond and the principal axis 2 is nearly perpendicular to the S=P—Se plane. Calculations of the ³¹P and ⁷⁷Se nuclear magnetic shielding tensors were performed for molecules of both phases of 1 and for model compounds by the sum-over-states density functional perturbation theory IGLO method. The rms distances between calculated and experimental ³¹P NMR icosahedral tensor values σ_j(j = 1,…,6) amount to 17–21 ppm. The calculated and experimental orientations of the ³¹P principal axes show a maximum difference of 5° and rms distances of 3.2 and 3.3°. For the principal value σ₃₃ of the selenium shielding tensor the agreement between calculated and experimental values is satisfactory, but the calculated values σ₁₁ and σ₂₂ are distinctly too small. Calculations for a model compound in which the methyl groups of the neopentoxy residue are substituted by protons lead practically to the same results.     

Study of the ferroelectric–paraelectric phase transition of NaH3(SeO3)2 single crystals by H and Na NMR

The ¹H and ²³Na spin–lattice and spin–spin relaxation times of NaH₃(SeO₃)₂ single crystals grown using the slow-evaporation method were measured as functions of temperature and frequency in the ferroelectric and paraelectric phases. The changes in the symmetry of the (SeO₃)²⁻ dimers as a result of the ferroelectric–paraelectric phase transition are associated with large changes in the spin–lattice and spin–spin relaxation times, and in the number of resonance lines. The large changes in the relaxation times at 195 K indicate that the H and Na ions are significantly affected by this transition. The change in the number of resonance lines for the ¹H and ²³Na nuclei means that the orientations of the (SeO₃)²⁻ dimers and the environments of the Na ions change at T_C. Therefore, the orientations of the (SeO₃)²⁻ dimers and the environments of the Na ions play important roles in the phase transitions. In conclusion, the ferroelectric–paraelectric phase transition of NaH₃(SeO₃)₂ is accompanied by changes in hydrogen-bond structure and distortions of the (SeO₃)²⁻ and Na⁺ ion lattices, which form a slightly distorted octahedron.     

AlH~+离子5个Λ-S态和10个?态的光谱性质以及激光冷却的理论研究

利用考虑Davidson修正的内收缩多参考组态相互作用(icMRCI+Q)方法结合相关一致基组aug-ccpV6Z计算了AlH~+离子前两个离解极限对应的5个Λ-S态和10个?态的势能曲线.为了提高势能曲线的可靠性和精确性,计算中考虑了自旋轨道耦合效应、芯电子价电子相关和标量相对论修正以及将势能外推至完全基组极限.基于得到的势能曲线,获得了束缚和准束缚的4个Λ-S态和8个?态的光谱常数和振动能级,与已有的实验结果符合.计算了2(1/2)→X~2Σ_(1/2)~+和A~2Π_(3/2)→X~2Σ_(1/2)~+跃迁的跃迁偶极距.利用计算的精确的势能曲线和跃迁偶极矩,获得了2(1/2)~(第一势阱)(υ′=0, 1)→X~2Σ_(1/2)~+(υ′′)和A~2Π_(3/2)(υ′=0, 1)→X~2Σ_(1/2)~+(υ′′)跃迁的高度对角化分布的Franck-Condon因子(f_(00)和f_(11))和大的振动分支比;预测了2(1/2)~(第一势阱)(υ′=0, 1)和A~2Π_(3/2)(υ′=0, 1)态短的自发辐射寿命和窄的辐射宽度,这适合于AlH~+离子的快速激光致冷.所需的3束激光冷却波长都在紫外区域.这些结果表明了激光冷却AlH~+离子的可行性.此外,评估了自旋轨道耦合效应对光谱常数、振动能级和激光冷却AlH~+离子的影响.     

BH~+离子基态及激发态的势能曲线和跃迁性质的研究

利用高精度的多组态相互作用及Davidson修正方法 (MRCI+Q),采用ACV5Z-DK全电子基组计算了BH~+离子的前4个离解通道B~+(~1S_g)+H(~2S_g),B~+(~3Pu)+H(~2S_g),B(~2P_u)+H~+(~1Sg)和B~+(~1Pu)+H(~2Sg)的9个Λ—S态的势能曲线.X~2Σ~+,A~2Π和B~2Σ~+态的光谱常数和已有实验值符合得很好,其中b~4Σ~+,3~2Σ~+,3~2Π和4~2Σ~+态的光谱常数为首次报道,3~2Π和4~2Σ~+态具有双势阱结构.预测了A~2Π和B~2Σ~+态的辐射寿命:τ(A~2Π)=239.2 ns和τ(B~2Σ~+)=431.2 ns.最后在考虑自旋轨道耦合效应下讨论了B~2Σ~+与A~2Π态的势能曲线的相交对激光冷却BH~+离子的影响.     

Energy loss dependent transversal etching rates of heavy ion tracks in plastic

By the method of electrolytical etching track etching rates V_t and corresponding transversal track etching rates V_trans of single heavy ion tracks in thin Makrofol KG foils have been measured at ion energies from 10–480 MeV/u. Makrofol KG foils of 8 μm thickness were irradiated perpendicular to the surface with ⁷⁹Au and ⁵⁴Xe ions at specific energies with energy loss values of REL=(10–90) ^*10³ MeVcm²/g at GSI Darmstadt, Germany, and Lawrence Berkeley Lab., Cal., USA. Using the electrolytical etching method by measuring the resistance of the foil during the etching process (etching conditions: 6n NaOH, room temperature and controlled 50° C) the breakthrough time and track etching rates V_t, V_trans and V_m (bulk etching rate) were analysed. Response curves (V_t/V_m)-1 as a function of Restricted Energy Loss (REL), the maximum extension of the ion induced damage perpendicular to the ion path and the dimension of the ion track core depending on the deposited energy can be estimated.     

Theoretical study of spin-forbidden cooling transitions of indium hydride using ab initio methods

The feasibility of spin-forbidden cooling of the In H molecule is investigated based on ab initio quantum chemistry calculations. The potential energy curves for the X~1Σ_(0~+)~+, a~3Π_~(0~-), a~3Π_(0~+), a~3Π_1, a~3Π_2, A~1Π_1, 1~3Σ_(0~-)~+, and 1~3Σ_1~+states of In H are obtained based on multi-reference configuration interaction plus the Davidson corrections method. The calculated spectroscopic constants are in good agreement with the available experimental data. In addition, the influences of the active space and spin–orbit coupling effects on the potential energy curves and spectroscopic constants are also studied. For Re of a~3Π_(0~-), a~3Π_(0~+), a~3Π_1, and a~3Π_2 states, the error from large active space is small. The potential energy curve of the A~1Π_1state is not smooth for small active space. The spin–orbit coupling effects have great influences on the potential well depth and equilibrium internuclear distance of the A~1Π state. The Franck–Condon factors and radiative lifetimes are obtained on the basis of the transition dipole moments of the a~3Π_(0~+) → X~1Σ_(0~+)~+, a~3Π_1 → X~1Σ_(0~+)~+, and A~1Π_1 → X~1Σ_(0~+)~+ transitions. Our calculation indicates that the a~3Π_1( ν'= 0) → X~1Σ_(0~+)~+(ν = 0) transition provides a highly diagonally distributed Franck–Condon factor and a short radiative lifetime for the a3Π1 state, which can ensure rapid and efficient laser cooling of In H.The proposed laser drives a~3Π_1 → X~1Σ_(0~+)~+ transitions by using three wavelengths.