Phonon spectra of <Emphasis Type="Italic">L</Emphasis>1<Subscript>2</Subscript> Ni<Subscript>3</Subscript>Al and <Emphasis Type="Italic">B</Emphasis>2 NiAl: Ab initio calculations

Phonon spectra and phonon density of states of intermetallic compounds Ni₃Al and NiAl are studied using the ab initio linear-response method. The calculated phonon dispersion curves agree well with the inelastic neutron scattering data available for the crystals under study.     

Mechanical and Dynamic Stability of Complete and Nonstoichiometric 3<Emphasis Type="Italic">C</Emphasis>-Si<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>C<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript> from Ab Initio Calculations

The energies of formation of vacancies in the carbon and silicon sublattices, the independent elastic constants, the all-round compression, shear and Young’s moduli, and the anisotropy coefficients are determined for the complete and nonstoichiometric cubic phases of 3C-Si_xC_y (x, y = 1.0–0.75) by ab initio methods of the band theory. In the formalism of the density functional perturbation theory (DFPT), the phonon dispersion dependences are obtained for these phases (the comparison with the experiment is given for the complete phase). It is shown that the mechanical characteristics of the phases become strongly anisotropic upon the transition from 3C-SiC_0.875 to 3C-SiC_0.75. It is established from the analysis of the phonon dispersion curves that the 3C-SiC_0.875 and 3C-SiC_0.75 phases, in contrast to the complete 3C-SiC phase, are dynamically unstable at T = 0 K.     

Investigations of the interlayer coupling in high-<Emphasis Type="Italic">T</Emphasis><Subscript><Emphasis Type="Italic">c</Emphasis></Subscript> cuprates

Low-field magnetizationM(H) measurements can be used to probe the nature of the screening currents and the interlayer coupling in high-T _c cuprates. Here we compare theM(H) behaviour of single crystals of Bi₂Sr₂CaCu₂O₈ and fully oxygenated and oxygen reduced YBa₂Cu₃O_7??. In YBa₂Cu₃O₇, theM(H) behaviour is consistent with anisotropic 3D superconductivity whilst in Bi₂Sr₂CaCu₂O₈, the surface screening currents are strongly affected by the presence of vortices, implying that the CuO₂ planes are coupled via a weak Josephson interaction. In oxygen-deficient YBa₂Cu₃O_6.7 (T _c =63K), theM(H) behaviour at low temperatures is similar to that found for Bi₂Sr₂CaCu₂O₈, implying that the removal of oxygen from the chains has resulted in a dimensional crossover of the superconducting state in YBa₂Cu₃O_7??. As the temperature approachesT _c , the 3D behaviour is eventually restored as thec-axis coherence length ξ _c becomes comparable with the interlayer spacingd.     

Surface superconductivity and<Emphasis Type="Italic">H</Emphasis><Subscript><Emphasis Type="Italic">c3</Emphasis></Subscript> in UPt<Subscript>3</Subscript>

Ginzburg-Landau (GL) theory is used to study surface superconductivity for UPt₃ for various order parameter symmetries (OPS), andH _c3 is found for all principal directions of the surface normal\(\hat n\) and the field [1]. Assuming specular reflection, and allowing for reorientation of the antiferromagnetic symmetry breaking field in the models withE _1g ,E _2g ,E _1u , orE _2u symmetry, the experiments of Keller et al. [2] with\(\hat n = \hat a\) can be qualitatively explained for all OPS except possiblyA _1u ⊕B _1u . The implied GL parameters then predict qualitatively different and OPS dependent behavior for\(\hat n = \hat a^* \) and\(\hat n = \hat c\). Study ofH _c3 for these surfaces would give strong clues about the OPS of UPt₃.     

Decay Behaviors of the <Emphasis Type="Italic">P</Emphasis><Subscript><Emphasis Type="Italic">c</Emphasis></Subscript> Hadronic Molecules

In this proceeding, we present our recent work on decay behaviors of the P_c hadronic molecules, which can help to disentangle the nature of the two P_c pentaquark-like structures. The results turn out that the relative ratio of the decays of P _c ⁺ (4380) to \({\bar D *}{\Lambda _c}\) and J/ψp is very different for P_c being a \({\bar D *}{\Sigma _c}\) or \(\bar D\Sigma _c *\) bound state with \({J^P} = \frac{{{3 - }}}{2}\) And from the total decay width, we find that P_c(4380) being a \(\bar D\Sigma _c *\) molecule state with \({J^P} = \frac{{{3 - }}}{2}\) and P_c(4450) being a \({\bar D *}{\Sigma _c}\) molecule state with \({J^P} = \frac{{{5 + }}}{2}\) is more favorable to the experimental data.     

Top-quark <Emphasis Type="Italic">p</Emphasis><Subscript><Emphasis Type="Italic">T</Emphasis></Subscript>-spectra at CMS and flavor independence of <Emphasis Type="Italic">z</Emphasis>-scaling

We present new results of analysis of top-quark differential cross sections obtained by the CMS Collaboration in pp collisions in the framework of the z-scaling approach. The spectra are measured over a wide range of collision energy \(\sqrt s = 7,8,13TeV\) and transverse momentum p _T = 30?500 GeV/c of top-quark using leptonic and jet decay modes. Flavor independence of the scaling function ψ(z) is verified in the new kinematic range. The results of analysis of the top-quark spectra obtained at the LHC are compared with similar spectra measured in \(\overline p p\) collisions at the Tevatron energy \(\sqrt s = 1.96TeV\). A tendency to saturation of ψ(z) for the process at low z and a power-law behavior of ψ(z) at high z is observed. The measurements of high-p _T is observed. The measurements of highspectra of the top-quark production at highest LHC energy is of interest for verification of self-similarity of particle production, understanding flavor origin and search for new physics symmetries with top-quark probe.     

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.     

Infrared spectroscopy of europium borates Eu<Emphasis Type="Italic">M</Emphasis><Subscript>3</Subscript>(BO<Subscript>3</Subscript>)<Subscript>4</Subscript> (<Emphasis Type="Italic">M</Emphasis> = Al,Cr, Fe,Ga) with a huntite mineral type of structure

Huntite-like EuM ₃(BO₃)₄ crystals (M = Al, Cr, Fe, or Ga) are synthesized by means of spontaneous crystallization from a solution in a melt. The infrared spectra of the compounds are measured. The experimental data and the results from ab initio DFT calculations are compared. The comparison shows that the compounds have a primarily noncentrosymmetric rhomboherdal structure with the R32 space group. This indicates these compounds could exhibit magnetoelectric and nonlinear optical properties.     

<Emphasis Type="Italic">K</Emphasis><Subscript><Emphasis Type="Italic">e</Emphasis>3</Subscript> Decay Studies in the OKA Experiment

Recent results from OKA setup concerning form factor studies in K_e3 decay are presented. About 5.25 M events obtained for decays of 17.7 GeV/cK⁺ are selected for the analysis. The linear and quadratic slopes for the decay form factor f₊(t) are measured: λ'₊ = 2.95 ± 0.022 ± 0.018 × 10 ^-2 for the linear slope fit and λ₊ = 2.611 ± 0.035 ± 0.028 × 10 ^-2, λ"₊ = 1.91 ± 0.19 ± 0.14 × 10 ^-3 for the quadratic one. The scalar and tensor contributions are compatible with zero. Several alternative parametrizations are tried: the Pole fit parameter is found to be M _V = 891 ± 3 MeV; the parameter of the dispersive parametrization is measured to be Λ₊ = 2.458 ± 0.018 × 10^-2.     

The electromagnetic effects in <Emphasis Type="Italic">K</Emphasis><Subscript><Emphasis Type="Italic">e</Emphasis>4</Subscript> decay

The final-state interaction of pions in K _e4 decay allows to obtain the value of the isospin and angular-momentum-zero ππ scattering length a ₀ ⁰ .We take into account the electromagnetic interaction of pions and isospin-symmetry-breaking effects caused by different masses of neutral and charged pions and estimate the impact of these effects on the procedure of scattering-length extraction from K _e4 decays.     

1/<Emphasis Type="Italic">N</Emphasis><Subscript><Emphasis Type="Italic">c</Emphasis></Subscript> countings in baryons

The 1/N _c -power countings for baryon decays and configuration mixings are determined by means of a nonrelativistic quark picture. Such countings are expected to be robust under changes in the quark masses and, therefore, valid as these become light. It is shown that excited baryons have natural widths of \(\mathcal{O}(N_c^0 )\). These dominant widths are due to the decays that proceed directly to the ground-state baryons, with cascade decays being suppressed to \(\mathcal{O}(1/N_c )\). Configuration mixings, defined as mixings between states belonging to different O(3) × SU(2N _f ) multiplets, are shown to be subleading in an expansion in \(1/\sqrt {N_c }\) when they involve the ground-state baryons, while the mixings between excited states can be \(\mathcal{O}(N_c^0 )\).     

Optical 4<Emphasis Type="Italic">f</Emphasis>-4<Emphasis Type="Italic">f</Emphasis> transitions in multiferroic HoMnO<Subscript>3</Subscript>

In the absorption spectra of the hexagonal single-crystal manganite HoMnO₃ in the paramagnetic ferroelectric state, lines near 1.1 and 2.0 μm were observed associated with the transitions ⁵ I ₈ → ⁵ I ₆ and ⁵ I ₈ → ⁵ I ₇, respectively, within the 4f ¹⁰ configuration of the Ho³⁺ ion. At T = 80 K, to the ⁵ I ₈ → ⁵ I ₇ transition corresponds one band at 1.9 μm for both polarizations E ∥ c and E ⊥ c. As the temperature increases from 80 to 293 K, a low-energy band with a peak at 2.04 μm for E ⊥ c and a peak at 2.07 μm for E ∥ c arises associated with transitions from an excited Stark level of the ground ⁵ I ₈ multiplet to the Stark levels of the ⁵ I ₇ multiplet and with an increase in the population of the initial Stark level, the energy of which is ～100 K.     

High-pressure induced magnetoresistance in <Emphasis Type="Italic">p</Emphasis>-InAs:Mn and <Emphasis Type="Italic">p</Emphasis>-CdGeAs<Subscript>2</Subscript>:Mn

The baric (P ≤ 5GPa) and magnetic-field (H ≤ 5 kOe) dependences of the transverse magnetore-sistance Δρ _xx /ρ₀ have been measured for p-InAs (R _H = 22.5 cm³/C, ρ = 0.15 Ω cm) and the new ferromag-netic semiconductor p-CdGeAs₂ (R _H = 5 cm³/C, ρ = 0.62 Ω cm), doped with a magnetic impurity (Mn), near the temperature T = 297 K. The dependences Δρ _xx /ρ₀ (P, H) for p-InAs:Mn and p-CdGeAs₂:Mn exhibit a magnetoresistive effect with an increase in pressure, and a pressure-induced magnetoresistance hysteresis is observed in p-CdGeAs₂:Mn with a pressure drop.     

<Emphasis Type="Italic">Ab initio</Emphasis> theory of the electronic structure and spectra of impurity <Emphasis Type="Italic">nl</Emphasis> ions

The fundamentals of the theory of the electronic structure of impurity clusters and the results of numerical calculations for the iron-, lanthanum-, and actinium-group ions in Me⁺ⁿ: [L]_k clusters are presented. The effects of the interionic distance and ligands in the Me⁺ⁿ: [L]_k clusters on the electronic structure of the nl ^N and nl^N?1n′l′ configurations of the 3d, 4f, and 5f ions are considered. The correspondence between the optical and x-ray spectra of different impurity crystals is also analyzed.     

Ferromagnetism and ferroelectricity in Eu<Emphasis Type="Italic">X</Emphasis> (<Emphasis Type="Italic">X</Emphasis> = <Emphasis Type="Italic">O</Emphasis>, <Emphasis Type="Italic">S</Emphasis>): pressure effects

Ferromagnetism and ferroelectricity in Eu monochalcogenides have been investigated by ab initio density functional theory in the DFT+U approach. Exchange interaction parameters and Curie temperatures under pressure are studied and discussed using Heisenberg Hamiltonian with first and second-nearest-neighbor interactions. The calculations showed that the hydrostatic pressure perfectly improves the Curie temperature (EuO: T _C = 175 K; EuS: T _C = 33.8 K) and in the other hand it cannot induce the spontaneous polarization (P _s ). The effect of uniaxial and biaxial pressure is also studied. Although the uniaxial strains slightly increases the Curie temperature, it ensures the ferrolectricity in these systems by producing a spontaneous polarization of the order of P _s (EuO) = 57.50 μC/cm² and P _s (EuS) = 42.86 μC/cm² with pressures of 5% and 4%, respectively. The search for new model systems is a necessity to better understand the physics related to multiferroïc materials and to consider possible applications.     

Magnetism of gadolinium nanoparticles near <Emphasis Type="Italic">T</Emphasis><Subscript><Emphasis Type="Italic">c</Emphasis></Subscript>

Influence of temperature and magnetic field H on magnetism of spherical Gd nanoparticles of different sizes (89, 63, 47, 28, and 18 nm) was studied in the temperature range 250 K < T < 325 K. The particles were obtained by metal vapor condensation in the flow of helium. The particles with d = 18 nm did not show a magnetic transition; their structure is a combination of two cubic phases (FCC1 and FCC2). Large particles remained in the HCP phase and had an admixture of the FCC1 phase, the amount of which decreased as the particle sizes increased; magnetic transition took place at T _c = 293 K. The admixture of O₂ did not alter the structure but decreased the magnetization σ and magnetic permeability μ. An orientation transition in polycrystalline gadolinium initiated by the magnetic field H was proved in an experiment. The orientation transition in Gd particles smaller than 63 nm, the magnetic structure of which is close to the single-domain structure, occurred near T _c without the influence of H.     

Electronic structure of crystal-forming fulborenes B<Subscript><Emphasis Type="Italic">n</Emphasis></Subscript>N<Subscript><Emphasis Type="Italic">n</Emphasis></Subscript>

A general approach is formulated to the design of crystal-forming fullerene-like clusters X _n Y _n from which zeolite-like covalent crystals based on IV-IV, III-V, and II-VI binary semiconductor compounds with diamond-like sp ³ bonds can be constructed and synthesized by means of copolymerization through faces. A number of the smallest sized crystal-forming boron nitride clusters are constructed, such as the B₁₂N₁₂, B₁₆N1₆, B₁₈N₁₈, B₂₄N₂₄, B₃₆N₃₆, and B ₆₀N₆₀ fulborenes. The optimized configurations, electronic structures, charge transfers, band gaps, total energies, cohesive energies, and electron density maps of the clusters are calculated using the spin-restricted Hartree-Fock method in the 6–31G basis set. Comparative calculations of the B₆₀N₆₀ fulborene with the use of the density functional theory method have demonstrated that the spin-restricted Hartree-Fock method in the 6–31G basis set is optimum from the standpoint of the accuracy and efficiency.     

Ionization of <Emphasis Type="Italic">nS</Emphasis>, <Emphasis Type="Italic">nP</Emphasis>, and <Emphasis Type="Italic">nD</Emphasis> lithium,potassium, and cesium Rydberg atoms by blackbody radiation

The results of theoretical calculations of the blackbody ionization rates of lithium, potassium, and cesium atoms residing in Rydberg states are presented. The calculations are performed for nS, nP, and nD states in a wide range of principal quantum numbers, n = 8?65, for blackbody radiation temperatures T = 77, 300, and 600 K. The calculations are performed using the known quasi-classical formulas for the photoionization cross sections and for the radial matrix elements of transitions in the discrete spectrum. The effect of the blackbody-radiation-induced population redistribution between Rydberg states on the blackbody ionization rates measured under laboratory conditions is quantitatively analyzed. Simple analytical formulas that approximate the numerical results and that can be used to estimate the blackbody ionization rates of Rydberg atoms are presented. For the S series of lithium, the rate of population of high-lying Rydberg levels by blackbody radiation is found to anomalously behave as a function of n. This anomaly is similar to the occurrence of the Cooper minimum in the discrete spectrum.     

Volume charge density and radial electric field <Emphasis Type="Italic">E</Emphasis><Subscript><Emphasis Type="Italic">r</Emphasis></Subscript>(<Emphasis Type="Italic">r</Emphasis>) in a moving tokamak plasma

Electric field E _r transverse to the current in a moving quasi-neutral plasma can (and should) be considered using Poisson equations and densities of volume charges emerging in the plasma. In the general case, E _r becomes nonlocal; i.e., remote volume charge densities are not screened but affect the formation of E _r at the points under investigation. This approach is used for describing a phenomenological theory of radial electric field E _r (r) and velocity of toroidal rotation of the plasma in the tokamak. Examples of application of this theory to actual experiments are considered.     

Hadroproduction of heavy quarkonia at high energies within the <Emphasis Type="Italic">k</Emphasis><Subscript><Emphasis Type="Italic">T</Emphasis></Subscript>-factorization approach

On the basis of the k _T -factorization approach, heavy-quarkonium \((c\bar c,b\bar b)\) hadroproduction at high energies is considered within nonrelativistic QCD in the leading order in α _s and v. The p _T spectra of various S-and P-wave quarkonium states at the Tevatron collider energies (run I and run II) are fitted, and sets of octet nonperturbative matrix elements are obtained for three different versions of the noncollinear gluon distribution in the proton.