The Structure of Radiative Tunnel Recombination Sites in Emulsion Microcrystals of AgBr(I)

To identify the structure of emissive tunnel recombination sites in the emulsion microcrystals of silver bromide AgBr(I) with iodine contaminations and to determine the role of an emulsion medium in their formation, the temperature dependence of the luminescence spectra in the range from 77 to 120 K, the kinetics of the growth of the maximum luminescence intensity value at λ ≈ 560 nm, and the luminescence flash spectrum stimulated by the infrared light are investigated. Two types of the AgBr_{1 – x}(I _x ) (x = 0.03) microcrystals—namely, obtained in an aqueous solution and on a gelatin substrate—are used in the studies. It is established that the emissive tunnel recombination sites with a luminescence maximum at λ ≈ 560 nm in AgBr_{1 – x}(I _x ) (x = 0.03) are the {(I _a ^- I _a ^- )Ag _i ⁺ } donor–acceptor complexes with the I _a ^- iodine ions located in neighbor anionic sites of the AgBr(I) crystal lattice, next to which the Ag _i ⁺ interstitial silver ion is positioned. With an increase in the temperature, the {(I _a ^- I _a ^- )Ag _i ⁺ } sites undergo structural transformation into the {(I _a ^- I _a ^- )Ag_in⁺} sites, where n = 2, 3, …. Moreover, the {(I _a ^- I _a ^- )Ag _in ⁺ } sites (n = 2) after the capture of an electron and hole also provide the tunnel recombination with a luminescence maximum at λ ≈ 720 nm. The influence of an emulsion medium consists in that gelatin interacts with the surface electron-localization sites, i.e., the interstitial silver ions Ag _in ⁺ , n = 1, 2, and forms the complexes {Ag _in ⁰ G⁺} (n = 1, 2) with them. The latter are deeper electron traps with a small capture cross section as compared to the Ag _in ⁺ sites (n = 1, 2) and that manifest themselves in that the kinetics of the luminescence growth in AgBr(I) to a stationary level at λ ≈ 560 nm is characterized by the presence of “flash firing.” At the same time, the luminescence flash stimulated by IR light, for which the Ag _in ⁺ (n = 1, 2) electron-localization sites are responsible, is absent. It is supposed that the electrons localized on the {Ag _in ⁺ G⁺} complexes (n = 2) retain the capability for emissive tunnel recombination with holes localized on paired iodine sites with a luminescence maximum at λ ≈ 750 nm.     

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.     

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.     

Anisotropy of microwave conductivity in the superconducting and normal states of YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>7</Subscript>−<Emphasis Type="Italic">x</Emphasis>: 3D-2D crossover

The imaginary parts of microwave conductivity σ″(T<T_c) and resistivity ρ (_T)=1/σ(T>T_c) along (σ _ab ^″ and ρ_ab) and across and (σ _c ^″ and ρ_c the cuprate ab planes of a YBa₂Cu₃O_7?x crystal with the oxygen doping level x varying from 0.07 to 0.47 were measured in the temperature range 5≤ T≤200 K. In the superconducting state, the σ _ab ^″ (T)/σ _ab ^″ (0) and σ _c ^″ (T/σ _c ^″ (0) curves coincide for an optimally doped (x=0.07) crystal, but, with an increase in x, the slopes of the σ _c ^″ (T)/σ _c ^″ (0) curves decrease noticeably at T<T_c/3, on the background of small changes happening to the σ _ab ^″ (T/σ _ab ^″ (0) curves. The two-dimensional (2D) transport along the ab planes in the normal state of YBa₂Cu₃O_7?x is always metallic, but there is a crossover (at x=0.07) from the Drude to hopping (at x>0.07) conductivity along the c axis. This is confirmed both by the estimates of the lowest metallic and the highest tunneling conductivities along the c axis and by quantitative comparison of the measured ρ_c(T) curves with the curves calculated in the polaron model of quasiparticle transport along the c axis.     

Ds+ → π+ π+ π− decay: The $$1^3 P_0 s\bar s$$ component in scalar-isoscalar mesons

We calculate the processes \(D_s^ + \to \pi ^ + s\bar s\) and D _s ⁺ → π⁺resonance, respectively, in the spectator and W-annihilation mechanisms. The data on the reaction D _s ⁺ → π⁺ρ⁰, which is due to the W-annihilation mechanism only, point to a negligibly small contribution of the W annihilation to the production of scalar-isoscalar resonances D _s ⁺ ?π⁺f₀. As to spectator mechanism, we evaluate the \(1^3 P_0 s\bar s\) component in the resonances f₀(980), f₀(1300), and f₀(1500) and broad state f₀(1200–1600) on the basis of data on the decay ratios D _s ⁺ ?π⁺f₀/(D _s ⁺ ?π⁺_θ). The data point to a large \(s\bar s\) component in the \(f_0 (980):40 \lesssim s\bar s \lesssim 70\% \). Nearly 30% of the \(1^3 P_0 s\bar s\) component flows to the mass region 1300–1500 MeV, being shared by f₀(1300), f₀(1500), and broad state f₀(1200–1600): the interference of these states results in a peak near 1400 MeV with the width around 200 MeV. Our calculations show that the yield of the radial-excitation state\(2^3 P_0 s\bar s\)is relatively suppressed, \({{\Gamma (D_s^ + \to \pi ^ + (2^3 P_0 s\bar s))} \mathord{\left/ {\vphantom {{\Gamma (D_s^ + \to \pi ^ + (2^3 P_0 s\bar s))} {\Gamma (D_s^ + \to \pi ^ + (1^3 P_0 s\bar s))}}} \right. \kern-\nulldelimiterspace} {\Gamma (D_s^ + \to \pi ^ + (1^3 P_0 s\bar s))}} \lesssim 0.05\).     

Stability of Coulomb systems

The stability of m ₁ ⁺ m ₂ ⁺ m ₃ ^? m ₄ ^? Coulomb systems formed by particles of unit charge against dissociation is considered as a function of the particle mass. It is shown that, from the stability of the m ₁ ⁺ m ₂ ⁺ m ₃ ^? three-particle system, it follows that the m ₁ ⁺ m ₂ ⁺ m ₃ ^? m ₄ ^? four-particle system containing an additional particle of mass satisfying the condition m ₄ ^? ? m ₃ ^? is stable. The results of calculations of the stability domain for m ₁ ⁺ m ₂ ⁺ m ₃ ^? systems asymmetric in particle masses are reported. The stability of 39 asymmetric exotic four-particle molecules and mesic molecules against dissociation is established.     

<Emphasis Type="Italic">B</Emphasis>-meson decays into charmonium states in the ATLAS experiment

The paper presents several recent ATLAS results on the analyses of B-meson decays into charmonium states. These include the measurements of B⁺ mass and the fractions of J/ψ mesons produced in b-hadron decays in pp collisions at \(\sqrt s\) = 13 TeV in the center of mass system. The measured partial widths and polarizations in B _c ⁺ → J/ψD _s ^(*)+ decays and CP-violation parameters in B _s ⁰ → J/ψ? decays in pp collisions at 7 and 8 TeV in the center of mass system are also presented.     

The nature of the lower excited state of the special pair of bacterial photosynthetic reaction center of <Emphasis Type="Italic">Rhodobacter Sphaeroides</Emphasis> and the dynamics of primary charge separation

Quantum-chemical calculations of the structure in the ground and lower singlet excited states and the vibrations (in the ground state) of special pair P of photosynthetic reaction center of purple bacteria (RCPb) Rhodobacter Sphaeroides, consisting of two bacteriochlorophyll molecules P_A and P_B, have been carried out. It is shown that excitation of the special pair is followed by fast relaxation dynamics, accompanied by the transformation of the initial P* state into the P_A^δ+P_B^δ- state (δ ~ 0.5) with charge separation. This behavior is due to the presence of several nonplanar vibrations with participation of the acetyl group of macrocycle P_В in the nuclear wave packet on the potential surface of the P* state; these vibrations facilitate destabilization of the lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) of the macrocycle P_A and formation of the P_A^δ+P_B^δ- state. The structural transformations in the P* state are due to its linking character in the contact region of the acetyl group-containing pyrrole rings of P_A and P_B. The transition from the P* state to specifically the P_A^δ+P_B^δ- state is related to the fact that the acetyl group P_A is involved in the intermolecular hydrogen bond with amino acid residue His^L168; for this reason, this group and the pyrrole ring linked with it can hardly participate in structural transformations. The electronic matrix element Н₁₂ of the electron transfer from the special pair in the P_A^δ+P_B^δ- state to a molecule of accessory bacteriochlorophyll В_А greatly exceeds that for the transfer to В_B. This circumstance and the fact that the P_A^δ+P_B^δ- state is energetically more favorable than the P* state facilitate the preferred directionality of the electron transfer in RCPb Rhodobacter Sphaeroides with participation of the cofactors located in its subunit L.     

Emission und Schwingungsverteilung der 1. neg. Gruppe und der 2. pos. Gruppe in einem Stickstoffplasma

The intensity of the first negative system ofN ₂ ⁺ (B ² Σ _u ⁺ -X ² Σ _g ⁺ and of the second positive system ofN ₂(C ³ Π _u -B ³ Π _g ) was observed in the discharge and in the afterglow as function of discharge current. An a. c. discharge in pure nitrogen was used at pressures of about 5 torr. The intensity of the first negative system ofN ₂ ⁺ — in the discharge and in the afterglow — rises to a maximum and decreases with further increase of the discharge current. The afterglow intensity of the second positive system ofN ₂ shows a maximum too. In the discharge, however, the intensity of the second positive system ofN ₂ increases with increasing discharge current. The relative population of the vibrational levelsN _v′ =i/N _v′ =0 (i=1,2,3,4) of theB ² Σ _u ⁺ state ofN ₂ ⁺ , in the discharge and in the afterglow, increases with increasing discharge current, while the relative population of the vibrational levelsN _v′ =i/N _v′ =0 (i=1, 2, 3, 4) of theC ³ Π _u state ofN ₂ reaches a maximum in the discharge. There seems to be evidence that the first negative system ofN ₂ ⁺ is not excited by electron impact withN ₂ molecules in ground state under the discharge conditions in question.     

Quantum-Chemical Simulation of the Solvent Effect on Spontaneous Emission of Singlet Oxygen

A molecular simulation of the solvent effect on radiative rate constant k _r of singlet oxygen is carried out. This study included a search for the most probable conformations of the complexes of molecules of singlet oxygen and ten solvents and calculation of dipole moments M of transitions a¹Δ _g –b¹Σ _g ⁺ (M _a–b ) and a¹Δ _g –X³Σ _g ^- (M _a–X ) of the oxygen molecule for them. Averaging of M _a–b by conformations, taking into account the probability of their formation for complexes without atoms with a large atomic number (Cl, S), yields values that, as a rule, correlate well with the behavior of k _r in the experiment. Taking into account the possibility of decreasing the distance (compared to equilibrium) between molecules in a collision complex at room temperature made it possible to achieve satisfactory agreement of the calculated and experimental data also for complexes with CCl₄, C₂Cl₄, and CS₂. The obtained data indicate that a number of factors affect k _r . The correlation of k _r with molecular polarizability in a number of cases is due, on the one hand, to its effect on the strength of dispersion interactions in the complex and, on the other hand, to the fact that it to some extent reflects the position of the upper filled orbitals of the solvent molecule. Both factors affect the degree of mixing of the π orbitals of the singlet oxygen molecule with the orbitals of the solvent molecule, which, as was found earlier, facilitates the activation of the a¹Δ _g –b¹Σ _g ⁺ transition and the borrowing of its intensity by the a¹Δ _g –X³Σ _g ^- transition.     

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.     

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.     

Hysteresis of the magnetoresistance of granular HTSC YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>7 − δ</Subscript> in weak fields

Hysteresis of the magnetoresistance of ceramic YBa₂Cu₃O_～6.95 HTSC samples is studied at T = 77.3 K in an external magnetic field H _ext changing in 0 → H _max → 0 cycles, where H _max is the maximum magnitude of H _ext. Information is obtained about the dependences of the critical fields of Josephson weak links H _c2J , the lower critical fields of superconducting grains H _c1A , and the critical fields H _BG-VG of the Bragg glass-vortex glass phase transition in the vortex matter on transport current I, magnetic field, and the mutual orientation of I and H _ext. It is found that the magnetoresistance δρ⁺/ρ_{273 K} measured with increasing H _ext is significantly higher than Δρ^?/ρ_{273 K} and that H _c2J ⁺ < H _c2J ^? , H _c1A ⁺ < H _c1A ^? , and H _BG-VG ⁺ < H _BG-VG ^? .     

WMAP data and recent developments in supersymmetric dark matter

A brief review is given of the recent developments in the analyses of supersymmetric dark matter. Chief among these is the very accurate determination of the amount of cold dark matter in the universe from analyses using WMAP data. The implications of this data for the mSUGRA parameter space are analyzed. It is shown that the data admits solutions on the hyperbolic branch of the radiative breaking of the electroweak symmetry. A part of the hyperbolic branch lies in the so-called inversion region, where the LSP neutralino χ ₁ ⁰ becomes essentially a pure Higgsino and degenerates with the next-to-the-lightest neutralino χ ₂ ⁰ and the light chargino χ ₁ ^± . Thus, some of the conventional signals for the observation of supersymmetry in colliders (e.g., the missing energy signals) do not operate in this region. On the other hand, the inversion region contains a high degree of degeneracy of χ ₁ ⁰ , χ ₂ ⁰ , χ ₁ ^± leading to coannihilations, which allow for the satisfaction of the WMAP relic density constraints deep on the hyperbolic branch. Further, an analysis of the neutralino-proton cross sections in this region reveals that this region can still be accessible to dark matter experiments in the future. Constraints from g_π?2 and from B _s ⁰ → μ⁺μ^? are discussed. Future prospects are also discussed.     

The origin of frustration of magnetic coupling in the NiFeCrO<Subscript>4</Subscript> ferrite

The magnetostriction of the NiFeCrO₄ ferrite is investigated for the first time. It is found that the frustration of magnetic coupling occurs only in the B sublattice of the NiFeCrO₄ ferrite, whereas the A sublattice has a usual magnetic structure. The inference is made that the frustration of magnetic coupling in the B sublattice is caused not only by the negative direct BB exchange interaction Cr _B ³⁺ -Cr _B ³⁺ but also by the positive indirect AB exchange interaction Fe _A ³⁺ -O^2?-Cr _B ³⁺ . Reasoning from the experimental data and an analysis of the exchange interactions in the NiFeCrO₄ ferrite sample, it is demonstrated for the first time that the magnetic moments of Fe _A ³⁺ ions in this ferrite deviate from collinearity. It is established that, at low temperatures, the B sublattice of the NiFeCrO₄ ferrite is responsible for the total magnetic moment n_0exp.     

Helmholtz transceiver array for improving the |<Emphasis Type="Italic">B</Emphasis><Subscript>1</Subscript>|-field homogeneity at 7-T magnetic resonance imaging

A 16-channel transceiver radiofrequency (RF) array using Helmholtz coils was designed to improve the RF transmission |B ₁ ⁺ |-field homogeneity for human brain magnetic resonance imaging (MRI) at 7 T. A numerical simulation of the proposed Helmholtz transceiver array was performed using the finite-difference time-domain method—the subset of the finite-element method simulation. The simulation results of proposed 16-channel Helmholtz transceiver array were compared with the generally used rectangular transceiver array in term of their |B ₁ ⁺ |-field and specific absorption rate (SAR). The simulation of each single element in 16-channel Helmholtz and rectangular transceiver arrays was compared using water phantom in term of their magnetic flux |B ₁| homogeneity for the full width at half maximum. From the simulation results, the proposed 16-channel Helmholtz transceiver array configuration offers superior |B ₁ ⁺ |-field homogeneity and low SAR at 7 T. These modifications to the coil geometries of the transceiver array coil could be applied to a 7-T MRI, and also extended to increase the homogenous coverage on |B ₁ ⁺ |field with low SAR.     

Vibronic-spin-orbit interactions in heterocyclic analogues of fluorene with the N and O heteroatoms

The transition dipole moments P _0n ^s for the transitions from the electronic triplet state ³ B ²(ππ*) to vibrational sublevels of the vibrational out-of-plane modes n of the carbazole and dibenzofuran molecules are calculated. The values of the radiative deactivation rate constant k _rad ^s of the triplet sublevels T ^s are determined along with the components k _SO ^s and k _VSO ^s of this constant, which depend on the intramolecular spin-orbit (SO) and vibronic-spin-orbit (VSO) interaction. It is ascertained that k _rad ^z > k _rad ^y . For different structural units of the molecules (the heteroatom and the carbon atoms of the dibenzene fragment), the effect of the SO coupling on the constant k _VSO～Σ_{s, n} (P _0n ^s )² is studied. A competition between the effects on k _VSO from the SO coupling in the carbon atoms and in the light N and O heteroatoms is revealed. This competition accounts for the weak influence of the heteroatom on this component of the rate constant k _rad in these molecules. It is ascertained that the intensity distribution among the vibronic lines in the phosphorescence spectra of carbazole and dibenzofuran I _0n ～Σs (P _0n ^s )² is different due to the substantially different influence of the N and O heteroatoms on the deactivation of the triplet sublevel T ^y .     

<Emphasis Type="Italic">B</Emphasis>-meson production at Tevatron and the LHC in the Regge limit of quantum chromodynamics

We study the inclusive hadroproduction of B⁰, B⁺, and B_s⁰ mesons in the leading order in the parton Reggeization approach. We have described B-meson transverse momentumdistributionsmeasured in the central region of rapidity by the CDF Collaboration at Fermilab Tevatron and CMS Collaboration at LHC within uncertainties and without free parameters, applying Kimber–Martin–Ryskin unintegrated gluon distribution function in a proton.     

Ab initio calculations of the geometry and electronic structure of point defects in ferroelectrics with a perovskite structure

Ab initio calculations of the optimized geometry and the electronic structure of lattice defects in incipient perovskite ferroelectrics SrTiO₃ and KTaO₃ are performed in the framework of the density functional theory. The results are presented for the Li⁺ impurity ion at the A site in the KTaO₃ and SrTiO₃ ferroelectrics; the Mn²⁺, Cd²⁺, Ca²⁺, Mg²⁺, and Zn²⁺ ions at the A site and the Mn⁴⁺ and Mg²⁺ ions at the B site in the SrTiO₃ compound; and the MN _Ti ²⁺ -V _O and Mg _Ti ²⁺ -V _O complexes in the SrTiO₃ ferroelectric. The results are obtained by the cluster method with allowance made for the structural relaxation initiated by the defect and, for nonisovalent substitutional impurities, with due regard for the charge and spin states of the defect. It is established that the Ca _Sr ²⁺ , Cd _Sr ²⁺ , Mn _Ti ⁴⁺ , and Mg _Ti ²⁺ ions have a stable central position, whereas the Li _K ⁺ ion in the KTaO₃ compound and the Li _Sr ⁺ , Mn _Sr ²⁺ , and Zn _Sr ²⁺ defects in the SrTiO₃ ferroelectric are off-center ions. The shape of the multiminimum adiabatic potential and the parameters of dielectric relaxators (activation barrier, dipole moment) for polar defects are obtained. The electronic impurity levels are determined for the Li _Sr ⁺ and Mg _Ti ²⁺ neutral defects.