Electric quadrupole moments of light nuclei and transition probabilities for them in the multiquantum approximation of the orthogonal scheme

A method for calculating electric quadrupole moments of light nuclei and probabilities of electric quadrupole transitions in them in the multiquantum approximation of the orthogonal scheme is proposed. Specific calculations of these quantities are performed for the ₄ ⁸ Be nucleus with allowance for all U(3(A ? 1)) states characterized by the λ = [44] Young diagram, the quantum numbers K _min and K _min + 2 of the O(3A ? 1)) group, and the number E = K + 2N (N = 0, 1, …, 9) of oscillator quanta. It is shown that an extension of the basis from the E = K _min to the E = K _min + 2 approximation leads to an increase of 15 to 45% in the electric quadrupole moments and to an increase in the transition probabilities B(E2) by a factor of 1.6 to 2.8. The inclusion of E = K + 2N (N = 0, 1, …), states involving multiquantum excitations (ρ excitations) increases additionally the results by 10 to 30%. The results of these calculations are compared with their counterparts obtained in the multiquantum approximation of the unitary scheme.     

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.     

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.     

Electron paramagnetic resonance of Cr<Superscript>3+</Superscript>-Li<Superscript>+</Superscript> centers in (Cr,Li): Mg<Subscript>2</Subscript>SiO<Subscript>4</Subscript> synthetic forsterite

Synthetic single crystals of chromium-and lithium-doped forsterite, namely, (Cr,Li): Mg₂SiO₄, are studied using electron paramagnetic resonance spectroscopy. It is revealed that, apart from the known centers Cr³⁺(M1) and Cr³⁺(M2) (with local symmetries C_i and C_s, respectively), these crystals involve two new types of centers with C₁ symmetry, namely, Cr³⁺(M1)′ and Cr³⁺(M2)′ centers. The standard parameters D and E in a zero magnetic field [zero-field splitting (ZFS) parameters expressed in GHz] and principal components of the g tensor are determined as follows: D=31.35, E=8.28, and g=(1.9797, 1.9801, 1.9759) for Cr³⁺(M1)′ centers and D=15.171, E=2.283, and g=(1.9747, 1.9769, 1.9710) for Cr³⁺(M2)′ centers. It is found that the lowsymmetric effect of misalignment of the principal axes of the ZFS and g tensors most clearly manifests itself (i.e., its magnitude reaches 19°) in the case of Cr³⁺(M2)′ centers. The structural models Cr³⁺(M1)-Li⁺(M2) and Cr³⁺(M2)-Li⁺(M1) are proposed for the Cr³⁺(M1)′ and Cr³⁺(M2)′ centers, respectively. The concentrations of both centers are determined. It is demonstrated that, upon the formation of Cr³⁺-Li⁺ ion pairs, the M1 position for chromium appears to be two times more preferable than the M2 position. Reasoning from the results obtained, the R₁ line (the ²E → ⁴A₂ transition) observed in the luminescence spectra of (Cr,Li): Mg₂SiO₄ crystals in the vicinity of 699.6 nm is assigned to the Cr³⁺(M1)′ center.     

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.     

A theoretical investigation of structural,mechanical, electronic and thermoelectric properties of orthorhombic CH<Subscript>3</Subscript>NH<Subscript>3</Subscript>PbI<Subscript>3</Subscript>

The structural, mechanical, electronic and thermoelectric properties of the low temperature orthorhombic perovskite phase of CH₃NH₃PbI₃ have been investigated using density functional theory (DFT). Elastic parameters bulk modulus B, Young’s modulus E, shear modulus G, Poisson’s ratio ν and anisotropy value A have been calculated by the Voigt–Reuss–Hill averaging scheme. Phonon dispersions of the structure were investigated using a finite displacement method. The relaxed system is dynamically stable, and the equilibrium elastic constants satisfy all the mechanical stability criteria for orthorhombic crystals, showing stability against the influence of external forces. The lattice thermal conductivity was calculated within the single-mode relaxation-time approximation of the Boltzmann equation from first-principles anharmonic lattice dynamics calculations. Our results show that lattice thermal conductivity is anisotropic, and the corresponding lattice thermal conductivity at 150 K was found to be 0.189, 0.138, and 0.530 Wm^?1K^?1 in the a, b, and c directions. Electronic structure calculations demonstrate that this compound has a DFT direct band gap at the gamma point of about 1.57 eV. The electronic transport properties have been calculated by solving the semiclassical Boltzmann transport equation on top of DFT calculations, within the constant relaxation time approximation. The Seebeck coefficient S is almost constant from 50 to 150 K. At temperatures 100 and 150 K, the maximal figure of merit is found to be 0.06 and 0.122 in the direction of the c-axis, respectively.     

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.     

Band interaction in <Superscript>162</Superscript>Dy, <Superscript>168</Superscript>Er,and <Superscript>172</Superscript>Yb

Coriolis interaction between levels of two rotational bands in ¹⁷²Yb with K ^π = 2⁺ and 3⁺ and in ¹⁶⁸Er between levels with K ^π = 0^?, 1^?, and 2^? is studied. The values of the interaction parameters are obtained. The mutual influence of two bands in ¹⁶²Dy with ΔK = 2, K _i ^π = 0 ₂ ⁺ and 2 ₁ ⁺ due to Coriolis interaction is demonstrated.     

Luminescence of Tl<Superscript>+</Superscript> ions in a KZnF<Subscript>3</Subscript> crystal

The luminescence spectra of a KZnF₃: Tl⁺ crystal are investigated in the energy range from 4.75 to 5.9 eV at temperatures of 10–300 K upon excitation into the A absorption band (5.7–6.3 eV). At T=300 K, the luminescence spectra exhibit an intense band with a maximum at 5.45 eV, which is attributed to single Tl⁺ ions substituted for K⁺ ions. The 5.723-eV intense narrow band observed at T<20 K is assigned to the ³Γ_1u-¹Γ_1g zero-phonon transition, which is weakly allowed by the hyperfine interaction. The luminescence decay is studied as a function of temperature. The main characteristics of the luminescence spectra are adequately described in terms of the semiclassical theory based on the Franck-Condon principle and the Jahn-Teller effect for an excited sp configuration of the Tl⁺ ion with the use of the parameters obtained earlier from analyzing the absorption spectra of the system under investigation.     

Searching for signatures around 1920 MeV of a N<Superscript>*</Superscript> state of three hadron nature

We provide a series of arguments which support the idea that the peak seen in the \( \gamma\) p \( \rightarrow\) K ⁺ \( \Lambda\) reaction around 1920MeV should correspond to the recently predicted state of J ^P = 1/2⁺ as a bound state of K \( \bar{{K}}\) N with a mixture of a ₀(980)N and f ₀(980)N components. At the same time we propose polarization experiments in that reaction as a further test of the prediction, as well as a study of the total cross-section for \( \gamma\) p \( \rightarrow\) K ⁺ K ^- p at energies close to threshold and of dσ/dM _inv for invariant masses close to the two-kaon threshold.     

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.     

Antiferromagnetic Resonance in GdB<Subscript>6</Subscript>

The electron spin resonance has been measured for the first time both in the paramagnetic phase of the metallic GdB₆ antiferromagnet (T_N = 15.5K) and in the antiferromagnetic state (T < T_N). In the paramagnetic phase below T* ~ 70 K, the material is found to exhibit a pronounced increase in the resonance linewidth and a shift in the g-factor, which is proportional to the linewidth Δg(T) ~ ΔH(T). Such behavior is not characteristic of antiferromagnetic metals and seems to be due to the effects related to displacements of Gd³⁺ ions from the centrosymmetric positions in the boron cage. The transition to the antiferromagnetic phase is accompanied by an abrupt change in the position of resonance (from μ₀H₀ ≈ 1.9 T to μ₀H₀ ≈ 3.9 T at ν = 60 GHz), after which a smooth evolution of the spectrum occurs, resulting eventually in the formation of the spectrum consisting of four resonance lines. The magnetic field dependence of the frequency of the resonant modes ω₀(H₀) obtained in the range of 28–69 GHz is well interpreted within the model of ESR in an antiferromagnet with the easy anisotropy axis ω/γ = (H ₀ ² +2H_AH_E)^1/2, where H_E is the exchange field and H_A is the anisotropy field. This provides an estimate for the anisotropy field, H_A ≈ 800 Oe. This value can result from the dipole?dipole interaction related to the mutual displacement of Gd³⁺ ions, which occurs at the antiferromagnetic transition.     

QRPA coordinate space calculations of 2<Superscript>+</Superscript> states in <Emphasis Type="Italic">N</Emphasis>=20 isotones

The first 2⁺ states in N=20 isotones are studied within the self-consistent quasiparticle random phase approximation based on the Green’s function method. The residual interaction between quasiparticles with full velocity dependence is consistently derived from the Skyrme interaction plus pairing interaction energy density functional. The B(E2, 0 ₁ ⁺ → 2 ₁ ⁺ ) transition probabilities and the excitation energies of the first 2⁺ states are well described within a single framework. We discuss mainly the microscopic origin of the anomalously large B(E2) value and the very low excitation energy in ³²Mg.     

Spectra and mean energies of prompt neutrons from <Superscript>238</Superscript>U fission induced by primary neutrons of energy in the region <Emphasis Type="Italic">E</Emphasis><Subscript><Emphasis Type="Italic">n</Emphasis></Subscript><20 MeV

The time-of-flight technique is used to measure the ratios R(E, E _n )=N(E, E _n )/N_Cf(E) of the normalized (to unity) spectra N(E, E _n ) of neutrons accompanying the neutron-induced fission of ²³⁸U at primary-neutron energies of E _n =6.0 and 7.0 MeV to the spectrum N_Cf(E) neutrons from the spontaneous fission of ²⁵²Cf. These experimental data and the results of their analysis are discussed together with data that were previously obtained for the neutron-induced fission of ²³⁸U at the primary energies of E _n =2.9, 5.0, 13.2, 14.7, 16.0, and 17.7 MeV.     

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.     

Signature splitting in two quasiparticle rotational bands of <Superscript>180,182</Superscript>Ta

The signature splittings in K^π = 1 ⁺: 7 /2[404] _π?9 /2[624] _ν, K^π = 0^?: 9 /2[514] _π?9 /2[624] _ν bands of ¹⁸⁰Ta and K^π = 0^?: 7 /2[404] _π?7 /2[503] _ν, K^π = 1^?: 5 /2[402] _π?3 /2[512] _ν, K^π = 1⁺: 7 /2[404] _π?9 /2[624] _ν bands of ¹⁸²Ta are analysed within the framework of two-quasiparticle rotor model. The phase as well as magnitude of the experimentally observed signature splitting in K^π = 1⁺ band of ¹⁸⁰Ta, which could not be explained in earlier calculations, is successfully reproduced. The conflict regarding placement of a 12 ⁺ level in K^π = 1 ⁺: 7 /2 ⁺[404] _π?9 /2 ⁺[624] _ν ground-state rotational band of ¹⁸⁰Ta is resolved and tentative nature of K^π = 0^?: 7 /2[404] _π?7 /2[503] _ν, K^π = 1⁺: 7 /2[404] _π?9 /2[624] _ν bands observed in ¹⁸²Ta is confirmed. As a future prediction for experimentalists, these two-quasiparticle structures observed in ¹⁸⁰Ta and ¹⁸²Ta are extended to higher spins.     

Secondary ion emission from a GaAs single crystal upon bombardment with Bi<Stack> <Subscript> <Emphasis Type="Italic">m</Emphasis> </Subscript> <Superscript>+</Superscript> </Stack> cluster ions

Secondary-ion mass spectra and energy distributions upon bombarding a gallium arsenide single crystal using Bi_m⁺(m = 1–5) cluster ions with energies of 2–12 keV are investigated. The gallium cluster ion yield grew nonadditively with the number of atoms in the cluster projectiles. A quasi-thermal component found in the energy spectra of secondary Ga⁺ and Ga₂⁺ ions is indicative of the occurrence of the thermal spike mode upon cluster ion bombardment. The quasi-thermal component in the yield of atomic Ga⁺ ions upon bombardment with Bi₂⁺–Bi₅⁺–ions is 35–75%.     

The <Emphasis Type="Italic">q</Emphasis>-boson-fermion realizations of the quantum superalgebra <Emphasis Type="Italic">U</Emphasis><Subscript><Emphasis Type="Italic">q</Emphasis></Subscript>(<Emphasis Type="Italic">osp</Emphasis>(1/2))

We show that our construction of realizations for algebras and quantum algebras can be generalized to quantum superalgebras too. We studyan example of quantum superalgebra U _q (osp(1/2)) and give the boson-fermion realization with respect to one pair of q-boson operators and one pair of fermions.     

Ion-pair states of I<Subscript>2</Subscript>, Br<Subscript>2</Subscript>, IBr,and ICl

The experimentally determined energies and rotational constants of the vibrational levels v = 0–20 of the Ion-Pair states Ω = 0⁺, Ω = 1 of the I₂, Br₂, IBr, and ICl molecules are modeled. The model used includes three diabatic states, which correlate to X⁺(3P, 1D) + Y^～(1S₀). These states are coupled by the spin-orbit interaction, which is assumed to be independent of the internuclear distance. For IBr and ICl, as well as for the ungerade states of I₂ and Br₂, satisfactory results are obtained. The model is less applicable to the gerade states of I₂ and Br₂, which is possibly results from the retainment of the asymptotic J _A J _B coupling of the angular momenta at equilibrium internuclear distances.