On double magicity of the <Stack><Subscript>28</Subscript><Superscript>68</Superscript></Stack>Ni<Subscript>40</Subscript> nucleus

Single-particle energies E _nlj of neutron states in the ₂₈ ⁶⁸ Ni₄₀ nucleus are estimated on the basis of extrapolation of the experimental values of E _nlj in the ^58,60,62,64Ni isotopes. The data obtained are compared with the results of calculation within the dispersion optical model.     

Metastable helium cluster He<Stack><Subscript>4</Subscript><Superscript>*</Superscript></Stack>

The existence of a metastable cluster He ₄ ^* with total spin S = 2 is predicted. The cluster consists of two covalently bound excited spin-polarized triplet He ₂ ^* molecules and is rectangular in shape. The electron wavefunctions, the dependence of the energy He ₄ ^* system on the distance between the He ₂ ^* triplet molecules, the atomic spacing, the frequency spectrum of natural oscillations of the cluster, and other characteristics are calculated from first principles. It is shown that the metastable state is formed if one of the excited He ₂ ^* molecules is in the ³Σ _u ⁺ state, while the other is in the ³Π_g state. The radiation lifetime τ of the metastable cluster He ₄ ^* is calculated; it is found to range from 100 to 200 s, which is much longer than the lifetime τ ≈ 20 s of the triplet molecule He ₂ ^* (³Σ _u ⁺ ). The height U ≈ 0.5 eV of the potential barrier preventing the departure from the local energy minimum is determined. The energy E_acc ≈ 9 eV/atom accumulated in the He ₄ ^* cluster is calculated; this energy considerably exceeds the energy of known chemical energy carriers. It is shown that the accumulated energy is released virtually completely during decomposition of the He ₄ ^* cluster into individual helium atoms. This means that helium clusters are a promising material with a high accumulated energy density (HEDM).     

Exotic molecular states in a strong magnetic field: H<Stack><Subscript>3</Subscript><Superscript>(2+)</Superscript></Stack> ion

The existence of the molecular ion H ₃ ⁽²⁺⁾ in a magnetic field in a triangular and a linear configuration is discussed. A variational method (with an optimization of the form of the vector potential) is used. It is shown that, in the range of magnetic fields 10⁸<B<10¹¹ G, the system (pppe), with the protons forming an equilateral triangle perpendicular to the magnetic line, has a well-pronounced minimum in the total energy. Also, for B?10¹⁰ G, if the protons are situated along a magnetic line (linear configuration), a well-pronounced minimum in the total energy appears. Both configurations are unstable under the decays H(atom) + p + p and H ₂ ⁽⁺⁾ + p. A possible connection between the H ₃ ⁽²⁺⁾ molecular ion and a recently discovered absorption feature in a neutron-star atmosphere is discussed.     

<Superscript>53</Superscript>Cr NMR study of CuCrO<Subscript>2</Subscript> multiferroic

The magnetically ordered phase of the CuCrO₂ single crystal has been studied by the nuclear magnetic resonance (NMR) method on ⁵³Cr nuclei in the absence of an external magnetic field. The ⁵³Cr NMR spectrum is observed in the frequency range ν_res = 61–66 MHz. The shape of the spectrum depends on the delay tdel between pulses in the pulse sequence τ_π/2–t _del–τ_π–t _del–echo. The spin–spin and spin–lattice relaxation times have been measured. Components of the electric field gradient, hyperfine fields, and the magnetic moment on chromium atoms have been estimated.     

Magnetic order in the structurally disordered helicoidal magnet Cr<Subscript>1/3</Subscript>NbS<Subscript>2</Subscript>: NMR at <Superscript>53</Superscript>Cr nuclei

The Cr_1/3NbS₂ magnet is studied by nuclear magnetic resonance (NMR) at ⁵³Cr nuclei in a zero applied magnetic field. The following two frequency ranges are distinguished in the ⁵³Cr NMR spectrum at T = 4.2 K: ν ₁ = 64–68 MHz and ν ₂ = 49–51 MHz. They can be related to two valence states of chromium ions, namely, Cr⁴⁺ and Cr³⁺. The components of the electric field gradient, the hyperfine fields, and the magnetic moment at chromium atoms are determined. The NMR data demonstrate that the magnetic moments of chromium lie in plane ab and form a magnetic structure consisting of regions with a helicoidal magnetic order and regions where this order is broken.     

Manifestation of nonuniformity in the electron charge distribution in H<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack> molecular ions colliding with each other

The anomalous character of threshold properties in the ion-molecule reactions H ₂ ⁺ + H ₂ ⁺ → H ₃ ⁺ + p and H ₂ ⁺ + H ₂ ⁺ → H + p + H + p has been theoretically analyzed. It has been shown that these reactions proceed through the formation of the intermediate H ₄ ⁺⁺ complex. Molecules H ₂ ⁺ in the collision process are described by a chemical model, where the positive charge is concentrated in one of the nuclei. The calculations of the reaction cross sections are in good agreement with the experimental data. It has been shown that the chemical model of the H ₂ ⁺ molecule can be consistently explained only in terms of dynamic interactions, i.e., polarization forces and van der Waals forces.     

Optical characteristics of radiation from N<Stack><Subscript>2</Subscript><Superscript>*</Superscript></Stack> dimers in a barrier discharge

The spectral and power characteristics of radiation of the second positive system of nitrogen (C ³Π _u → B ³Π _g ) in Ar-N₂ and Ar-N₂-Cl₂ mixtures excited by barrier discharge have been studied experimentally. Addition of argon to N₂ increased the radiation power by sixfold. In the triple mixture Ar-N₂-Cl₂ = 210/0.5/0.005, minor chlorine additions increased the intensity of the C ³Π _u → _B ³Π _g transition by 26% compared to Ar-N₂ mixtures. Radiation power density of 2.7 mW/cm² has been achieved. In both binary and triple mixtures, the second positive system of nitrogen was the major contributor to radiation, while the contributions of the fourth positive system of N ₂ ^* (D ³Σ _u ⁺ → B ³Π _g ), the Vegard-Kaplan transition of N ₂ ^* (A ³Σ _u ⁺ → X ¹Σ _g ⁺ ), and the D′ → A′ band of Cl ₂ ^* were negligibly small.     

Structure of 2<Subscript>1,2</Subscript> <Superscript>+</Superscript> states in <Superscript>132,134,136</Superscript>Te

Starting fromthe Skyrme interaction f_ together with the volume pairing interaction, we study the g factors for the 2_1,2⁺ excitations of ^132,134,136Te. The coupling between one- and two-phonon terms in the wave functions of excited states is taken into account within the finite-rank separable approximation. Using the same set of parameters we describe the available experimental data and give the prediction for ¹³⁶Te, g(2₁⁺) = ?0.18 in comparison to +0.32 in the case of ¹³²Te.     

Relativistic theory of the electric quadrupole moment of a hydrogen-like atom in the <Emphasis Type="Italic">s</Emphasis>1/2 and <Emphasis Type="Italic">p</Emphasis>1/2 states

Relativistic analytical expressions are derived for the electric quadrupole moment induced by the hyperfine interaction of the electron with the nucleus of a hydrogen-like atom in the ns_1/2 and np_1/2 states. The magnetic dipole and electric quadrupole hyperfine interactions are taken into account. The calculations are performed using the generalized virial relationships for the Dirac equation in a central field. The dependences of the electric quadrupole moment on the nuclear charge Z and the principal quantum number n are analyzed. The induced quadrupole moments are compared with the nuclear quadrupole moments.     

Investigation of low-lying levels of the <Stack><Subscript>4</Subscript><Superscript>8</Superscript></Stack>Be nucleus in the multiquantum approximation of the orthogonal scheme

In the multiquantum approximation of the orthogonal scheme, specific calculations for the energies and radii of the ₄ ⁸ Be nucleus are performed with allowance for all states characterized by the λ=[44] Young diagram, the quantum numbers K_min and K_min+2 of the O(3(A?1)) group, and the quantum numbers E=K+2N (N≤9) of the U(3(A?1)) group. The convergence of the results with respect to the extension of the basis is studied, and the structure of relevant wave functions is revealed. The results of these calculations are compared with the results obtained in the analogous approximation of the unitary scheme.     

Specific features of the three-electron <Emphasis Type="Italic">KL</Emphasis><Stack><Subscript>2, 3</Subscript><Superscript>2</Superscript></Stack> ionization of silicon atoms upon near-threshold photoabsorption

The shape and relative intensity of the group of the Kα_5–8 satellites (radiative transitions KL _{2, 3} ² )-L _{2, 3} ³ of Si atoms are experimentally studied upon photoabsorption near and far from the KL _{2, 3} ² ionization threshold. The satellites were excited near the ionization threshold by lines of the characteristic L spectrum and bremsstrahlung radiation from Nb and Mo anodes and far from the threshold by the L spectrum and bremsstrahlung radiation from an Ag anode and by monochromatized Kα_{1, 2} radiation from a Ti anode. It is established that the probability P(L _{2, 3} ² ) of formation of two additional 2p vacancies during KL _{2, 3} ² photoabsorption of Si atoms near the energy threshold is by a factor of 1.5 lower than that during photoionization in a more distant energy region beyond the threshold. At the same time, the P(L _{2, 3} ² )/P(L _{2, 3}) ratio remains invariable for the absorbed photons throughout the energy range studied. It is demonstrated that, as the KL _{2, 3} ² ionization threshold is approached, an intensity redistribution occurs among the components of the group of the Kα_5–8 lines, which reflects a decrease in the excitation cross section ratio σ(⁴ P)/σ(² P) of the ⁴ P and ² P terms of the KL _{2, 3} ² configuration. A conclusion is drawn that the effects of suppression of the generation of P terms of higher multiplicity during the KL _{2, 3} and KL _{2, 3} ² near-threshold photoionizations are of a common nature.     

Absolute cross-sections and kinetic-energy-release distributions for electron-impact ionization and dissociation of CD<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack>

Absolute cross-sections have been measured for electron-impact dissociativeexcitation and ionization of CD ₂ ⁺ leading toformation of CD ₂ ²⁺ , CD⁺, C⁺,D ₂ ⁺ and D⁺. The animated crossed-beams methodis applied in the energy range from the reaction threshold up to 2.5 keV.The maximum total cross-sections are found to be (1.2±0.1)×10^-17 cm², (6.1±0.7)×10^-17 cm², (6.4±0.7)×10^-17 cm², (26.3±3.8)×10^-19 cm² and (14.9±1.4)×10^-17 cm² forCD ₂ ²⁺ , CD⁺, C⁺,D ₂ ⁺ and D⁺ respectively. Individualcontributions for dissociative excitation and dissociative ionization aredetermined for each singly-charged product, which are of significantinterest in fusion plasma edge modelling and diagnostics. Conforming to thescheme recently applied in the CD ₄ ⁺ and in theCD ₃ ⁺ articles, the cross-sections are presented inclosed analytic forms convenient for implementation in plasma simulationcodes. Kinetic-energy-release distributions are determined for each ionicfragment at selected electron energies.     

Influence of the ground state of the Pr<Superscript>3+</Superscript> ion on magnetic and magnetoelectric properties of the PrFe<Subscript>3</Subscript>(BO<Subscript>3</Subscript>)<Subscript>4</Subscript> multiferroic

The magnetic, magnetoelectric, and magnetoelastic properties of a PrFe₃(BO₃)₄ single crystal and the phase transitions induced in this crystal by the magnetic field are studied both experimentally and theoretically. Unlike the previously investigated ferroborates, this material is characterized by a singlet ground state of the rare-earth ion. It is found that, below T _N = 32 K, the magnetic structure of the crystal in the absence of the magnetic field is uniaxial (l ∥ c), while, in a strong magnetic field H ∥ c (H _cr ～ 43 kOe at T = 4.2 K), a Fe³⁺ spin reorientation to the basal plane takes place. The reorientation is accompanied by anomalies in magnetization, magnetostriction, and electric polarization. The threshold field values determined in the temperature interval 2–32 K are used to plot an H-T phase diagram. The contribution of the Pr³⁺ ion ground state to the parameters under study is revealed, and the influence of the praseodymium ion on the magnetic and magnetoelectric properties of praseodymium ferroborate is analyzed.     

Study of the formation and unimolecular fragmentation of Si<Subscript><Emphasis Type="Italic">n</Emphasis></Subscript>O<Stack><Subscript><Emphasis Type="Italic">m</Emphasis></Subscript><Superscript>+</Superscript></Stack> clusters under ion bombardment

The dependences of the emission and fragmentation of clusters sputtered by Xe⁺ ions from the surface of Si _n O _m ⁺ on the oxygen pressure near the bombarded surface are studied using secondary ion mass spectrometry. It is shown that the process of Si _n O _m ⁺ cluster formation under ion bombardment can be described within the framework of the mechanism of combinatorial synthesis by taking into account the mutual reversibility of the reactions of formation and unimolecular decay.     

H<Subscript>3</Subscript>O<Stack><Subscript>2</Subscript><Superscript>-</Superscript></Stack> ions with a strong quasi-symmetrical H-bond and their hydration in aqueous solutions of NaOH and KOH

Ion-molecular interactions in aqueous solutions of NaOH (0–47.8%) and KOH (0–51.95%) are studied by multiple frustrated total internal reflection IR spectroscopy. Interpretation of the spectra and analysis of the spectral data are performed based on the results of DFT calculations (B3LYP/6-31++G(d, p)) of the characteristics of the free and double hydrated H₃O ₂ ^- ion. It is established that the changes in the IR spectra of NaOH and KOH aqueous solutions caused by increasing alkali concentration are due to the formation of H₃O ₂ ^- ions with a strong quasi-symmetrical hydrogen bond and their subsequent hydration by one or two water molecules. The influence of the cation nature on the degree of hydration of H₃O ₂ ^- ions is demonstrated. The equilibrium concentrations of monohydrate (H₃O ₂ ^- ? H₂O) and dihydrate (H₃O ₂ ^- ? 2H₂O) are calculated and their IR continuous absorption spectra are isolated.     

Charge Distribution and Hyperfine Interactions in the CuFeO<Subscript>2</Subscript> Multiferroic According to <Superscript>63,65</Superscript>Cu NMR Data

For the first time, the CuFeO₂ single crystal has been studied by ^63,65Cu nuclear magnetic resonance (NMR). The measurements have been carried out in the temperature range of T = 100?350 K in the magnetic field H = 117 kOe applied along different crystallographic directions. The components of the electric field gradient tensor and the hyperfine coupling constants are determined. It is shown that electrons of copper 4s and 3d orbitals are involved in the spin polarization transfer Fe → Cu. The occupancies of these orbitals are estimated.     

Diamagnetic nuclear <Superscript>119</Superscript>Sn probes in the copper chromites CuCr<Subscript>2</Subscript>X<Subscript>4</Subscript> (X = O,S, Se) with a spinel structure

The CuCr₂X₄ (X = O, S, Se) spinel system has been studied by the Mössbauer spectroscopy of the nuclear diamagnetic ¹¹⁹Sn probe at low temperatures in an external magnetic field. The hyperfine magnetic fields H ^Sn induced by paramagnetic ions at tin nuclei in the CuCr₂S₄ and CuCr₂Se₄ chalcogenides have giant values and are somewhat higher than those detected in the CuCr₂O₄ oxide. This behavior is caused by the strong covalence of the chalcogenides, which is supported by the experimentally found isomer shifts. The H ^Sn field is found to be mainly contributed by superexchange 90° interactions in the B-sublattice along the Cr[B]-X-Sn[B] bond chain, whose role increases in the series O-S-Se. In the oxygen CuCr₂O₄ spinel, the partial contributions to the H ^Sn field induced by the Cu²⁺ and Cr³⁺ ions are estimated. The local magnetic structure of the CuCr₂O₄ spinel is refined, and its total magnetization is shown to be directed along the magnetic moment of copper in the A sublattice.     

Electric field effects in the EPR spectrum of low-spin Ni<Superscript>3+</Superscript> centers in the KTaO<Subscript>3</Subscript> crystal

The electric field effects in the EPR spectra of low-spin (S = 1/2) Ni³⁺ tetragonal centers in KTaO₃ single crystals are investigated. It is revealed that the resonance lines are split and the centers are oriented as a result of the interaction of the external field with the electric dipole moment of the center. The dipole moment of the center is determined to be p = 100 D = 21 e?. An analysis of the set of experimental data obtained permits one to choose correctly the microscopic models for two nickel centers in KTaO₃ crystals among the models discussed in the literature. Original Russian Text ￠ L.S. Sochava, S.A. Basun, V.é. Bursian, A.G. Razdobarin, D.R. Evans, 2007, published in Fizika Tverdogo Tela, 2007, Vol. 49, No. 12, pp. 2157–2160.     

Geometry of the internal dynamics of C<Subscript>2</Subscript>H<Stack><Subscript>3</Subscript><Superscript>+</Superscript></Stack> carbocation

Using the symmetry group chain methods, the internal dynamics of the simplest carbocation, C₂H ₃ ⁺ , is analyzed under the traditional assumptions that the equilibrium structures of the carbocation are planar and that the nonrigid motion between them is in-plane. This geometry of the internal dynamics is shown to agree with the data of the microwave spectroscopy on the splittings of rotational energy levels caused by the nonrigid motion. Previously, this statement was based on the model that violated the requirement of self-adjointness of operators of physical quantities.