Nuclear magnetic relaxation of spin<Emphasis Type="Italic">I</Emphasis>=1/2 scalar coupled to a quadrupolar nucleus in the presence of cross-correlation effects

The rigorous treatment of relaxation for the dipolar-multipolarAX spin system (I=1/2,S>1/2) in the presence of the dipolarI-S coupling, anisotropy chemical shift and quadrupolar interaction ofS spin is proposed. The calculations of the spin evolution under the relaxation Hamiltonian are based on the second-order time-dependent perturbation theory and are carried out in the operator representation. For this task the double commutator identities of the type [[I _±S _z ⁿ ,A _q ^μp ]A _?q ^μp ] and [[I _zS _z ⁿ ,A _q ^μp ]A _?q ^μp. ] are derived. The fist-order differential equations for the evolution of longitudinal two-spin orderI _zS _z ⁿ , z=magnetization ofS spinS _z ⁿ and coherences <I _±S _z ⁿ > in the spin systemIS with scalar coupling between spin 1/2 and quadrupolar spinS>1/2 were obtained. These equations are used to get equations for the evolutions of each component of the multiplet structure of spinI. The imaginary part of the cross-correlation spectral density function and indirect spin-spin coupling Hamiltonian are taken into account. Equations for the longitudinal components of theI spin spectrum in the presence of cross-correlation effects were obtained also. Longitudinal and transverse relaxation times and cross-relaxation times in the presence of cross-correlation D-CSA, Q-CSA, Q-D were analyzed.     

Band splitting and relative spin alignment in bilayer systems

It is shown that one-particle spectra of the lower Hubbard band of bilayer correlated 2D systems with different relative alignments of the spin systems in the layers differ significantly. In particular, the bilayer band splitting differs from zero for identically directed alternating spins of different layers (F _z configuration), but tends to zero for antiparallel alignment (AF _z configuration). It is found that the type of the alignment of the ground state changes upon an increase in the doping δ from the lower AF _z configuration to the F _z configuration of the alignment observed for large values of δ. The behavior of bilayer splitting in Bi₂Sr₂CaCu₂O_8+δ suggests that the configuration of the alignment may change from F _z →AF _z simultaneously with the superconducting transition. The effects associated with the influence of spin alignment on the magnetic excitation spectrum as a method of studying the spin structure of bilayer systems are considered for homogeneous solutions of effective spin models.     

Stable and Unstable Vortex Knots in a Trapped Bose Condensate

The dynamics of a quantum vortex toric knot T_P,Q and other analogous knots in an atomic Bose condensate at zero temperature in the Thomas–Fermi regime is considered in the hydrodynamic approximation. The condensate has a spatially inhomogeneous equilibrium density profile ρ(z, r) due to the action of an external axisymmetric potential. It is assumed that z_*= 0, r_*= 1 is the point of maximum of function rρ(z, r), so that δ(rρ) ≈ –(α–)z²/2–(α + )(δr)²/2 for small z and δr. The geometrical configuration of a knot in the cylindrical coordinates is determined by a complex 2πP-periodic function A(?, t) = Z(?, t) + i[R(?, t))–1]. When |A| ? 1, the system can be described by relatively simple approximate equations for P rescaled functions \({W_n}(\varphi ) \propto A(2\pi n + \varphi ):i{W_{n,t}} = - ({W_{n,\varphi \varphi }} + \alpha {W_n} - \in W_n^*)/2 - \sum\nolimits_{j \ne n} {1/(W_n^* - W_j^*)} \). For = 0, examples of stable solutions of type W _n = θ _n (?–γt)exp(–iωt) with a nontrivial topology are found numerically for P = 3. In addition, the dynamics of various unsteady knots with P = 3 is modeled, and the tendency to the formation of a singularity over a finite time interval is observed in some cases. For P = 2 and small ≠ 0, configurations of type W₀–W₁ ≈ B₀exp(iζ) + C(B₀, α)exp(–iζ) + D(B₀, α)exp(3iζ), where B₀ > 0 is an arbitrary constant, ζ = k₀?–Ω₀t + ζ0, k₀ = Q/2, and Ω₀ = (–α)/2–2/B₀², which rotate about the z axis, are investigated. Wide stability regions for such solutions are detected in the space of parameters (α, B₀). In unstable zones, a vortex knot may return to a weakly excited state.     

Anomalous temperature dependence of magnetic relaxation in YBa<Subscript>2</Subscript>Cu<Subscript>2</Subscript>O<Subscript>7 − δ</Subscript> oxygen-deficient single crystals

The dependence of the magnetization relaxation rate S = ?d lnM/dlnt on temperature T is measured in YBa₂Cu₃O_{7 ? δ} samples with various oxygen concentrations. It is found that the S(T) curve changes qualitatively when oxygen deficit δ exceeds the threshold value δ_th = 0.37. For δ < δ_th (T _c > 60 K, where T _c is the superconducting transition temperature), function S(T) has the well-known peak at T/T _c = 0.4. For δ > δ_th (at T _c < 51 K), this peak transforms into a plateau and a new sharp peak appears at T/T _c = 0.1. The threshold value δ_th of the oxygen deficit corresponds to the transition of the sample from the disordered state into the ordered state of oxygen vacancies. We consider the change in the shape of the S(T) curve as a macroscopic manifestation of this transition.     

Resistive sensor of weak magnetic fields on the basis of a thick HTSC film

The following parameters have been obtained for a thick (thickness t ～50 μm) film of high-temperature superconducting ceramics of the Bi-2223 system have been implemented: magnetosensitivity S _u ～ 29 V T^?1 and resolutions δB ～ 3 nT and δ? ～ 4?₀ in magnetic field and magnetic flux, respectively. It is shown that the film magnetosensitivity can be significantly increased due to the size effect. The expected characteristics, estimated with allowance for the size effect, are S _u ≥ 1000 V T^?1, δB ～ 0.01 nT, δ? ～ 0.01 ?₀, and the range of dynamic measurement ≥150 dB.     

Covalence-induced stabilization of an intermediate-spin state and the magnetic susceptibility of LaCoO<Subscript>3</Subscript>

The energies of terms with spins S = 0, 1, 2 have been found using exact diagnoalization of the multielectron Hamiltonian of a multiband pd model for the CoO₆ cluster. Co (e _g orbital)-O hops, which form the covalent σ bond, are shown to decrease the energy of the state (IS) with an intermediate spin (S = 1) as compared to the energy of the state (LS) with a low spin (S = 0). An analogue of the Tanabe-Sugano diagram that takes into account the covalence of the CoO₆ cluster is constructed. The state with S = 1 is shown to be a ground state at certain model parameters. An increase in temperature is established to decrease the crystal field and, thus, favors the transition of the ground state from LS to IS at T = 100 K and the transition of the IS ground state to a state (HS) with a high spin (S = 2) at T = 550 K. The magnetic susceptibility of LaCoO₃ is calculated with allowance for the LS, IS, and HS states and for the fact that the HS state exhibits threefold orbital degeneracy of the t _2g shell, which results in an effective orbital moment L = 1 and the importance of spin-orbit interaction. The behavior of this magnetic susceptibility agrees well with the experimental x(T) dependence of LaCoO₃.     

Calculation of the Cross Sections for Neutron Scattering at Spin Waves in Helimagnets

An analytical dependence of the cross section for the small-angle scattering of polarized neutrons at spin waves in helimagnets formed because of Dzyaloshinskii—Moriya interaction in cubic crystals without an inversion center (the space group is P2₁3) is obtained. It is assumed that the dispersion of spin waves in helimagnets with the wave vector k _s polarized by a magnetic field is larger than the critical field H_C2 of the transition to the ferromagnetic phase and has the form E _q = A(q ? k _s ) + gμ_B(H ? H_С2). It is shown that the cross section for neutron scattering at the two-dimensional map of angles (θ _x , θ _y ) is two circles of the radii θ_C with the centers ±θ _S , corresponding to the Bragg angle of diffraction by a helix oriented along the applied magnetic field H. The radii of these two circles θ_C are directly related to the stiffness of spin waves A of the magnetic system and depends on the applied magnetic field: \(\theta _C^2 = \theta _0^2 - \frac{{g{\mu _B}H}}{{{E_n}}}{\theta _0}\), where \({\theta _0} = \frac{{{h^2}}}{{2A{m_n}}}\) and E _n and m _n are the neutron energy and mass. It is shown that the scattering cross section depends on the neutron polarization, which is evidence of the chiral character of spin waves in the Dzyaloshinskii—Moriya helimagnets even in the completely polarized phase. The cases of neutron scattering at magnons where θ₀ ≤ θ _S and θ _S ≥ θ₀ are considered. The case of neutron scattering at spin waves in helimagnets is compared with analogous scattering at ferromagnets where θ _S → 0.     

Thermopower of <Emphasis Type="Italic">R</Emphasis>B<Subscript>12</Subscript> dodecaborides (<Emphasis Type="Italic">R</Emphasis> = Ho,Er, Tm,Lu)

Detailed measurements of the Seebeck coefficient S(T) in a broad range of temperatures (T = 2–300 K) have been performed for the first time for RB₁₂ dodecaborides (R = Ho, Er, Tm, Lu) in paramagnetic (diamagnetic for LuB₁₂) and antiferromagnetic states. At intermediate temperatures (10–300 K), the thermopower is determined by the interaction of carriers with phonon modes, which are related to the oscillations of rare-earth atoms in the framework of atomic clusters B₁₂. A comparative analysis of the parameters determining photon drag the thermopower related to the phonon drag and the results of galvanomagnetic measurements shows evidence for a significant effect of spin fluctuations on the behavior of charge transport characteristics in RB₁₂ compounds with strong electron correlations.     

High-frequency EPR of Cr<Superscript>2+</Superscript> ions in CdGa<Subscript>2</Subscript>S<Subscript>4</Subscript>

High-frequency broad-band (65–240 GHz) EPR is used to study impurity centers of bivalent chromium in a CdGa₂S₄ crystal. It is found that the EPR spectra correspond to tetragonal symmetry. The spin Hamiltonian H = βB · g · S + B ₂ ⁰ O ₂ ⁰ + B ₄ ⁰ O ₄ ⁰ + B ₄ ⁴ O ₄ ⁴ with the parameters B ₂ ⁰ =23659±2 MHz, B ₄ ⁰ =1.9±1 MHz, |B ₄ ⁴ |=54.2±2 MHz, g_‖=1.93±0.02, and g_⊥=1.99±0.02 is used to describe the observed spectra. It is concluded that chromium ions occupy one of the tetrahedrally coordinated cation positions.     

Estimating of CP-violation in <Emphasis Type="Italic">B</Emphasis><Superscript>0</Superscript>→ψ(2<Emphasis Type="Italic">S</Emphasis>)π<Superscript>0</Superscript> decay

I present estimates of CP-violating asymmetries in the non-leptonic charmonium two-body B⁰→ψ(2S)π⁰ decay and the same decays of B⁺→ψ(2S)π⁺ and B⁺→ψ(2S)K⁺ These estimates are based on QCD and improved QCD factorization approach making use of next-to-leading order (NLO) contributions. The CP-violating asymmetry for B⁰→ψ(2S)π⁰ decay is not available, according to the same calculations, it is expected if it can be measured in the future its value will be S_ψ(2S)π0(B⁰ → ψ(2S)π⁰)= 0.662 ± 0.197 and C_ψ(2S)π0(B⁰ → ψ(2S)π⁰)= 0.024 ± 0.007.     

Effect of vibronically induced spin-orbit coupling of electronic ππ* states on nonradiative intersystem crossing: Naphthalene

The effect of (I) S ₁(¹ B _2u ) ? T ₁(³ B _1u ) and (II) S ₁ ? T ₂ (³ B _3g ) ? T ₁ transitions in naphthalene on the rate constant K _ST ^s of the S ₁ ? T ₁ nonradiative transitions to all triplet sublevels s = z, y, x of the T ₁ state has been investigated in the approximation of vibronically induced spin-orbit couplings, taking into account all out-of-plane vibrational modes. The shapes of the vibrational modes that are most active in these transitions are determined. The calculated values K _ST = (0.33–0.75) × 10⁷ s^?1, obtained with allowance for the I and I + II transitions, are consistent with the experimental values (K _ST)_exp found by different researchers. It is established in all calculation versions that K _ST > K _ST ^z > k _ST ^x . This relation is in qualitative agreement with the known magnetooptical data.     

Study of the atom-phonon coupling model for (SC) partition function: first order phase transition for an infinite linear chain

In spin-conversion (SC) compounds containing molecules organized around an iron (II) ion the fundamental level of the ion is low spin (LS), S = 0, and its first excited one is high spin (HS), S = 2. This energy diagram is due to the ligands field interaction on 3d electrons and to the spin pairing energy. Heating the compound increases the magnetic susceptibility which corresponds to a change of populations of both levels and consequently a change of spin value of the molecules. This mechanism, called spin conversion (SC), can be accompagnied by thermal hysteresis observed by studying magnetic susceptibility or high spin fraction. In that case one considers that the (SC) takes place through a first-order phase transition due to intermolecular interactions. In the atom-phonon coupling model the molecules are considered as two-level systems, or two-level atoms, and it is assumed that the elastic force constant value of the spring which links two atoms first neighbours is depending on the electronic states of both atoms. In this study we calculate the partition function of a linear chain of N atoms (N ≤ 16) and we describe the role of phonons and that of the parameter Δ which corresponds to the distance in energy between both levels. The chain free-energy function is F _atph . We introduce for the chain a free-energy function defined by the set (F _HS , F _LS , F _barr ) and we show that F _atph tends towards the previous set when N → ∞. The previous set allows to describe a first order phase transition between a (LS) phase and a (HS) one. At the crossing point between the function F _LS and F _HS , and around this point, there is an intermediate free-energy barrier which prevents the chain to change phase which can lead to thermal hysteresis. The energy gap between the free-energy function F _atph and that defined by the set (F _HS , F _LS , F _barr ) is small. So we can expect that a nanoparticule takes for free-energy function that defined by the set and then displays a thermal hysteresis.     

Liquid-crystalline dendrimer Cu(II) complexes and Cu(0) nanoclusters based on the Cu(II) complexes: An electron paramagnetic resonance investigation

New nanostructured materials, namely, the liquid-crystalline copper(II) complexes that contain poly(propylene imine) dendrimer ligands of the first (ligand 1) and second (ligand 2) generations and which have a columnar mesophase and different copper contents (x = Cu/L), are investigated by EPR spectroscopy. The influence of water molecules and nitrate counterions on the magnetic properties of complex 2 (x = 7.3) is studied. It is demonstrated that water molecules can extract some of the copper ions from dendrimer complexes and form hexaaqua copper complexes with free ions. The dimer spectra of fully hydrated complex 2 (x = 7.3) are observed at temperatures T < 10 K. For this complex, the structure is identified and the distance between the copper ions is determined. It is shown that the nitrate counterion plays the role of a bridge between the hexaaqua copper(II) complex and the dendrimer copper(II) complex. The temperature-induced valence tautomerism attended by electron transport is revealed for the first time in blue dendrimer complexes 1 (x = 1.9) with a dimer structure. The activation energy for electron transport is estimated to be 0.35 meV. The coordination of the copper ion site (NO₄) and the structural arrangement of green complexes 1 (x = 1.9) in the columnar mesophase are determined. Complexes of this type form linear chains in which nitrate counterions serve as bridges between copper centers. It is revealed that green complexes 1 (x = 1.9) dissolved in isotropic inert solvents can be oriented in the magnetic field (B ₀ = 8000 G). The degree of orientation of these complexes is rather high (S _z = 0.76) and close to that of systems with a complete ordering (S _z = 1) in the magnetic field. Copper(0) nanoclusters prepared by reduction of complex 2 (x = 7.3) in two reducing agents (NaBH₄, N₂H₄ · H₂O) are examined. A model is proposed for a possible location of Cu(0) nanoclusters in a dendrimer matrix.     

Search of Possible Double Magic Nuclei in the Superheavy Valley Using Relativistic Mean Field Density Depending Coupling Models

The magic nature and the stability of the various possible stable combinations of the nucleons (proton and neutron) are scrutinized with the help of density dependent relativistic mean filed model (DDRMF). To analyze the parameter dependence of our calculation three different parameters namely, DD-ME1, DD-ME2 and PKDD are used to calculate relevant properties of finite nuclei. In the present context S_2n and δ_2n are taken as the befitting quantities for the magic nature, and the existence of these predicted magic nuclei are justified from E_B/A and λ. Finally the stability is studied by calculation of α-decay and β-decay half lifetime. Our calculation shows that certain combinations of nucleons i.e. Z = 114, 120 and 126 with N = 172, 184 and 198 respectively are best pair in their immediate neighbors to synthesize experimentally.     

Thermophysical studies of the phase transitions in (NH<Subscript>4</Subscript>)<Subscript>3</Subscript>NbOF<Subscript>6</Subscript> crystals

The thermophysical properties of oxyfluoride (NH₄)₃NbOF₆ were studied in detail over wide ranges of temperatures and pressures. At atmospheric pressure, a sequence of four structural phase transitions was established with the following changes in entropy: ΔS ₁ = Rln 2.7, δS ₂ = Rln38.3, ΔS ₃ = 0.08R, and ΔS ₄ = 0.17R. An external hydrostatic pressure was found to narrow the region of existence of the initial cubic phase. A triple point was detected in the p-T diagram; at a pressure above 0.07 GPa, the transition between the tetragonal and monoclinic phases occurs through a distorted high-pressure phase.     

The <Emphasis Type="Italic">HZZ</Emphasis>′ Coupling and the Higgs-Strahlung Production <Emphasis Type="Italic">pp</Emphasis> → <Emphasis Type="Italic">ZH</Emphasis> at the LHC

The Higgs-strahlung production process pp → Z′ → ZH is an important process for studying the HZZ′ interaction. We take the B ? L model and the nonuniversal S U(2)₁ × S U(2)₂ × U(1) _Y model as two examples and investigate their correction effects on ZH production at the LHC. Our numerical results show that, considering constraints on these two new physics models, the contributions of the B ? L model to the ZH production cross section are very small, while the S U(1)₁ × S U(2)₂ × U(1) _Y model can generate significant contributions.     

Thermoelectric properties of layered ferrocuprates <Emphasis Type="Italic">Ln</Emphasis>BaCuFeO<Subscript>5 + δ</Subscript> (<Emphasis Type="Italic">Ln</Emphasis>= La,Pr, Nd,Sm, Gd-Lu)

The electrical resistivity ρ and the thermopower S of ceramic materials LnBaCuFeO_{5 + δ} (Ln= La, Pr, Nd, Sm, Gd-Lu) are measured in air at temperatures in the range from 300 to 1100 K. All the studied ferrocuprates are p-type semiconductors. The electrical resistivity ρ and the thermopower S of these compounds increase with a decrease in the radius of the Ln ³⁺ cation (with an increase in the number of 4f electrons n in Ln ³⁺). The nonmonotonic behavior of the dependences ρ=f(n) and S=f(n) indicates that the electrical properties of the layered ferrocuprates LnBaCuFeO_{5 + δ} depend on the electronic configuration of the Ln ³⁺ cation. The power factors P calculated for the LnBaCuFeO_{5 + δ} ceramic materials from the experimental values of ρ and S increase with increasing temperature and, at T = 1000 K, reach the maximum values P = 102.0 and 54.1 µW m^?1 K^?2 for Ln = Pr(4f ²) and Sm(4f ⁵), respectively, and become close to each other and equal to 30–35 µW m^?1 K^?2 for Ln = Gd(4f ⁷), Dy(4f ⁹), and Ho(4f ¹⁰).     

Multicomponent <Emphasis Type="Italic">n</Emphasis>-(Bi,Sb)<Subscript>2</Subscript>(Te,Se,S)<Subscript>3</Subscript> solid solutions with different atomic substitutions in the Bi and Te sublattices

The thermoelectric properties of n-Bi_{2 ? x} Sb _x Te_{3 ? y ? z} Se _y S _z solid solutions are studied in the temperature range 300–550 K. It is shown that an increase in the parameter β determining the figure-of-merit Z of the material is observed in compositions with the optimally related effective mass of the density of states m/m ₀, the carrier mobility μ₀, and the lattice thermal conductivity κ _L . Within the temperature range 300–350 K, the parameter β and the figure-of-merit Z are found to increase in solid solutions with substitutions in both bismuth telluride sublattices Bi → Sb and Te → Se, S (x = 0.16, y = z = 0.12) for optimum electron concentrations. An increase in the electron concentration and substitutions of atoms only in the tellurium sublattice bring about an increase in the β parameter and the value of Z at higher temperatures. Within the range 350–450 K, the parameters β and Z are observed to increase in a solid solution with a low content of substituted atoms in the tellurium sublattice Te → Se, S for y = z = 0.09 and, at higher temperatures up to 550 K, in compositions with tellurium substituted by selenium only, with increasing content of substituted atoms.     

Extraordinary photons with unusual angular momentum

A series of novel state-vector functions (SVFs), which is the general solution of the Schrödinger equation for a photon, are constructed. Each set of these functions consists of a triplet of eigen-SVFs: The triplet can be broken down into a pair of nonzero l-order functions and a single zero-order function. The photons, described with a triplet of eigen-SVFs, possess all the quantum characteristics of a photon: In addition to common attributes like energy E = ? _ω , and momentum p _z = ? _κ , they also exhibit different angular momenta (AM) L _z+ = l?, L _z? = l?, and L _z0 = 0, where l?1. In other words, in addition to usual eigenvalues L _z±= ±?, there are unusual nonzero l-order eigenvalues L _z± = ±l? and a zero-order eigenvalue L _z0 = 0 for AM of a photon. By a series of SVFs, the pattern from nonzero l-order and zero-order Laguerre-Gaussian modes of a laser beam is explained well from a quantum mechanical point of view.