Origin of “Hot Spots” in the pseudogap regime of Nd1.85Ce0.15CuO4: An LDA + DMFT + Σk study

The material-specific electronic band structure of the electron-doped high- T _c cuprate Nd_1.85Ce_0.15CuO₄ (NCCO) is calculated in the pseudogap regime using the recently developed generalized LDA + DMFT + Σ _k scheme. The LDA/DFT (density-functional theory within local density approximation) provides model parameters (hopping integral values and local Coulomb interaction strength) for the one-band Hubbard model, which is solved by the DMFT (dynamical mean-field theory). To take pseudogap fluctuations into account, the LDA + DMFT is supplied with an “external” k-dependent self-energy Σ _k that describes interaction of correlated conducting electrons with nonlocal Heisenberg-like antiferromagnetic (AFM) spin fluctuations responsible for the pseudogap formation. Within this LDA + DMFT + Σ _k approach, we demonstrate the formation of pronounced hot spots on the Fermi surface (FS) map in NCCO, opposite to our recent calculations for Bi₂Sr₂CaCu₂O_{8 − δ} (Bi2212), which have produced a rather extended region of the FS “destruction.” There are several physical reasons for this fact: (i) the hot spots in NCCO are located closer to the Brillouin zone center; (ii) the correlation length ξ of AFM fluctuations is longer for NCCO; (iii) the pseudogap potential Δ is stronger than in Bi2212. Comparison of our theoretical data with recent bulk-sensitive high-energy angle-resolved photoemission (ARPES) data for NCCO provides good semiquantitative agreement. Based on that comparison, an alternative explanation of the van Hove singularity at −0.3 eV is proposed. Optical conductivity for both Bi2212 and NCCO is also calculated within the LDA + DMFT + Δ _k scheme and is compared with experimental results, demonstrating satisfactory agreement. The text was submitted by the authors in English.     

The first detection of photomodulation by both DC and in-phase AC susceptibility for organic/inorganic hybrid materials containing cyano-bridged Gd–Cr complex and azobenzene

New organic/inorganic hybrid material containing a ferrimagnetic cyano-bridged binuclear complex, [Gd(DMF)₄(H₂O)₃Cr(CN)₆]·H₂O (DMF=N,N′-dimethylformamide), and photochromic azobenzene in poly(methylmethacrylate) (PMMA) cast films has been prepared. We characterized magnetic properties of bulk [Gd(DMF)₄(H₂O)₃Cr(CN)₆]·H₂O and confirmed that it was not changed by light illumination at all. For the first time, we could detect reversible changes of both DC and in-phase AC susceptibility for the hybrid materials accompanying with cis–trans photoisomerization of azobenzene after UV and visible light illumination for 3 min at 3 K. We also discuss the kind of detectable magnetic changes (e.g. DC, in-phase AC, and both DC and in-phase AC) and the nature of some photo-magnetic functional hybrid materials (cis–trans photoisomerization and increase/decrease of magnetization) known to estimate their mechanism and interactions.     

Consistent LDA’ + DMFT approach to the electronic structure of transition metal oxides: Charge transfer insulators and correlated metals

We discuss the recently proposed LDA’ + DMFT approach providing a consistent parameter-free treatment of the so-called double counting problem arising within the LDA + DMFT hybrid computational method for realistic strongly correlated materials. In this approach, the local exchange-correlation portion of the electron-electron interaction is excluded from self-consistent LDA calculations for strongly correlated electronic shells, e.g., d-states of transition metal compounds. Then, the corresponding double-counting term in the LDA’ + DMFT Hamiltonian is consistently set in the local Hartree (fully localized limit, FLL) form of the Hubbard model interaction term. We present the results of extensive LDA’ + DMFT calculations of densities of states, spectral densities, and optical conductivity for most typical representatives of two wide classes of strongly correlated systems in the paramagnetic phase: charge transfer insulators (MnO, CoO, and NiO) and strongly correlated metals (SrVO₃ and Sr₂RuO₄). It is shown that for NiO and CoO systems, the LDA’ + DMFT approach qualitatively improves the conventional LDA + DMFT results with the FLL type of double counting, where CoO and NiO were obtained to be metals. Our calculations also include transition-metal 4s-states located near the Fermi level, missed in previous LDA + DMFT studies of these monoxides. General agreement with optical and the X-ray experiments is obtained. For strongly correlated metals, the LDA’ + DMFT results agree well with the earlier LDA + DMFT calculations and existing experiments. However, in general, LDA’ + DMFT results give better quantitative agreement with experimental data for band gap sizes and oxygen-state positions compared to the conventional LDA + DMFT method.     

Terahertz spectroscopy of oxygen, O2, in its Σg and Δ electronic states : THz Spectroscopy of O2

High precision rotational spectra of isotopic oxygen O₂ (with or ) in its electronic ground state have been measured in selected frequency regions between 0.4 and 2.0 THz. The main isotopic species, , was also investigated in its first excited electronic state . The new data, analyzed together with previous measurements, yielded improved spectroscopic parameters.     

The X2Π and A2Σ+ states of FH+, ClH+ and BrH+: theoretical study of their g -factors and fine/hyperfine structures

Theoretical calculations on the fine, hyperfine and Zeeman (g-factor) parameters are reported for the X²Π and A²Σ⁺ states of FH⁺, ClH⁺ and BrH⁺. The fine-structure constants [spin–orbit (A), Λ-doubling (p, q) and spin–rotation constants (γ _Π, γ _Σ)] are evaluated up to second order (via SO/L couplings with several excited states) using a multireference configuration interaction (MRCI) method, a Breit–Pauli Hamiltonian and 6-311++(2d,2pd) basis sets. Hyperfine constants of magnetic and electric type [Frosch–Foley (a, b, c, d) and nuclear quadrupole (eQq ₀, eQq ₂)] are studied with density functional methods and various basis sets. Magnetic dipole moments (parameterized via g-factors) are calculated in second order like the fine structure constants. The situation is somewhat complex for X²Π since no less than five different g’s have to be evaluated in second order. In general, our results are in good agreement with those reported in the literature, mostly limited to the ground state. Our calculations confirm that, at equilibrium, all second-order properties are dominated by the couplings between the electronic states X and A.     

PHENIX study of dihadron correlation in Au+Au collision at ?{sNN } \sqrt {s_{NN} } = 200 GeV: jet quenching and medium response

We provide a detailed survey study of dihadron azimuthal angle (Δϕ) correlations in a broad range of transverse momentum (0.4 < p _T < 10 GeV/c) and centrality (0–92%) in Au+Au collisions at 149-2 = 200 GeV. The evolution of the jet shape and yield with p _T seems to suggest two distinct components at the away-side pairs: a suppressed jet fragmentation component around Δϕ ∼ π, and a medium-induced components around |Δϕ − π| ∼ 1.1. The former dominates p _T > 5 GeV/c and the later dominates at p _T < 4 GeV/c.     

MRCI study of spectroscopic and molecular properties of X1Σg+ and A1Πu electronic states of the C2 radical

The potential energy curves (PECs) of X1Σ+g and A1Πu electronic states of the C2 radical have been studied using the full valence complete active space self-consistent field (CASSCF) method followed by the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach in conjunction with the aug-cc-pV6Z basis set for internuclear separations from 0.08 nm to 1.66 nm. With these PECs of the C2 radical,the spectroscopic parameters of three isotopologues ( 12C2 ,12C13C and 13C2 ) have been determined. Compared in detail with previous studies reported in the literature,excellent agreement has been found. The complete vibrational levels G(υ),inertial rotation constants B υ and centrifugal distortion constants D υ for the 12C2 ,12C13C and 13C2 isotopologues have been calculated for the first time for the X1Σ+g and A1Πu electronic states when the rotational quantum number J equals zero. The results are in excellent agreement with previous experimental data in the literature,which shows that the presented molecular constants in this paper are reliable and accurate.     

Electronic structure of p-type La1 ? xM x2+ MnO3 manganites in the ferromagnetic and paramagnetic phases in the LDA + GTB approach

The band structure, spectral intensity, and position of the Fermi level in doped p-type La_{1 − x} M _x/2+MnO₃ manganites (M = Sr, Ca, Ba) is analyzed using the LDA + GBT method for calculating the electronic structure of systems with strong electron correlations, taking into account antiferro-orbital ordering and using the Kugel-Khomskii ideas and real spin S = 2. The results of the ferromagnetic phase reproduce the state of a spin half-metal with 100% spin polarization at T = 0, when the spectrum is of the metal type for a quasiparticle with one spin projection and of the dielectric type for the other. It is found that the valence band becomes approximately three times narrower upon a transition to the paramagnetic phase. For the paramagnetic phase, metal properties are observed because the Fermi level is located in the valence band for any nonzero x. The dielectrization effect at the Curie temperature is possible and must be accompanied by filling of d _x orbitals upon doping. The effect itself is associated with strong electron correlations, and a complex structure of the top of the valence band is due to the Jahn-Teller effect in cubic materials.     

Submillimeter-wave spectroscopy of VN (XΔr) and VO (XΣ): A study of the hyperfine interactions

The pure rotational spectra of VN (X³Δ_r) and VO (X⁴Σ⁻) have been recorded in the frequency range 290-520 GHz using direct absorption spectroscopy. These radicals were synthesized in the gas-phase from the reaction of VCl₄ with either N₂ or H₂O in an AC discharge. Seven rotational transitions were recorded for each molecule; in both sets of spectra, fine and hyperfine structures were resolved. The data sets for VN and VO were fit with Hund’s case (a) and case (b) Hamiltonians, respectively, and rotational, fine structure, and hyperfine constants determined. For VN, however, an additional hyperfine parameter, Δa, was necessary for the analysis of the Ω = 2 sublevel to account for perturbations from a nearby ¹Δ state, in addition to the usual Frosch and Foley constants. Determination of Δa suggests that the ¹Δ state lies ∼3000 cm⁻¹ above the ground state. In VO, the hyperfine structure in the F₂ and F₃ components was found to become heavily mixed due to an avoided crossing, predicted by previous optical studies to be near the N = 15 level. The hyperfine constants established for these two molecules are consistent with the proposed σ¹δ¹ and σ¹δ² electron configurations.     

η, h￠ \eta{^\prime} → πl+l- in a chiral unitary approach

The decays η, → π⁺π^- l ⁺ l ^- (with l = e,μ are investigated within a chiral unitary approach which combines the chiral effective Lagrangian with a coupled-channels Bethe-Salpeter equation. Predictions for the decay widths and spectra are given.     

Stopping in ?{sNN } \sqrt {s_{NN} } = 62.4 GeV Au+Au collisions

Stopping in heavy ion collisions has been measured at several energies from AGS to RHIC (spanning $ \sqrt {s_{NN} } $ \sqrt {s_{NN} } = 5 GeV to $ \sqrt {s_{NN} } $ \sqrt {s_{NN} } = 200 GeV).The systematics of stopping hint the onset of a collision regime that might include LHC energies. Stopping in $ \sqrt {s_{NN} } $ \sqrt {s_{NN} } = 62.4 GeV Au+Au collisions contribute to the understanding of different collision systems.     

Heavy quarkonia production in p+p, d+Au and Cu+Cu collisions by PHENIX experiment at ?{sNN }\sqrt {s_{NN} } = 200 GeV

The PHENIX experiment has measured, J/ψ, ψ′ and γ productions for different collision systems in the forward rapidities 1.2 < | η | < 2.2 at ?{S_NN }\sqrt {S_{NN} } = 200 GeV. We have observed significant suppressions of J/ψ production in both Cu+Cu and Au+Au collisions relative to the yield in p+p system. The measurements of higher mass heavy quarkonia states (ψ′ and γ) will help us to constrain various quarkonium suppression models in heavy ion collisions. A first hint of ψ′ and γ productions in 200GeV p+p collisions has been observed at forward and backward rapidities at PHENIX.     

Measurement of the mass and width of the W boson in e+e- collisions at ?s\sqrt{s} = 161–209 GeV

A measurement of the W boson mass and width has been performed by the DELPHI collaboration using the data collected during the full LEP2 programme (1996–2000). The data sample has an integrated luminosity of 660 pb^-1 and was collected over a range of centre-of-mass energies from 161 to 209 GeV. Results are obtained by applying the method of direct reconstruction of the mass of the W from its decay products in both the W⁺W^-→ℓν̄_ℓqq̄’ and W⁺W^-→qq̄’q̄q’ channels. The W mass result for the combined data set is where FSI represents the uncertainty due to final state interaction effects in the qq̄’q̄q’ channel, and LEP represents that arising from the knowledge of the collision energy of the accelerator. The combined value for the W width is These results supersede all values previously published by the DELPHI collaboration. This paper is dedicated to the memory of Carlo Caso.     

Measurement of D* mesons in jets from p + p collisions at ?s \sqrt s = 200 GeV

We report the measurement of charged D* mesons in jets produced in proton-proton collisions at a center of mass energy $ \sqrt s $ \sqrt s = 200 GeV with the STAR experiment at RHIC. The production rate is found to be N(D*⁺ + D*⁻)/N (jet) = 0.015 ± 0.008 (stat) ± 0.007 (sys) for D* mesons with fractional momenta 0.2 < z < 0.5 in jets with 11.5 GeV mean transverse energy. This rate is consistent with perturbative QCD evalulation of gluon splitting into a pair of charm quarks and subsequent hadronization.     

Azimuthal correlations with high-pT multi-hadron cluster triggers in Au+Au collisions at ?{sNN } \sqrt {s_{NN} } = 200 GeV from STAR

Di-hadron correlation measurements have been used to probe di-jet production in heavy ion collisions at RHIC. A strong suppression of the away-side high-p _T yield in these measurements is direct evidence that high-p _T partons lose energy as they traverse the strongly interacting medium. However, since the momentum of the trigger particle is not a good measure of the jet energy, azimuthal di-hadron correlations have limited sensitivity to the shape of the fragmentation function. We explore the possibility to better constrain the initial parton energy by using clusters of multiple high-p _T hadrons in a narrow cone as the ‘trigger particle’ in the azimuthal correlation analysis. We present first results from this analysis of multi-hadron triggered correlated yields in Au+Au collisions at $ \sqrt {s_{NN} } $ \sqrt {s_{NN} } = 200 GeV from STAR. The results are compared with measurements in d + Au collisions and Pythia calculations, and the implications for energy loss and jet fragmentation are discussed.     

Synthesis,structural, dielectric and magnetic properties of spinel structure of Ca2+ substitute in Cobalt ferrites (Co1−xCaxFe2O4)

Non magnetic material Ca²⁺ as a substitute in Cobalt ferrite (Co_1?xCa_xFe₂O₄x?=?0.00, 0.05, 0.10 & 0.15) is prepared by self auto combustion method. The synthesized samples were carried out for various characterizations such as X-ray diffraction, Field emission scanning electron microscope (FE-SEM), Dielectric measurement and Magnetic property. X-ray diffraction reveals the values of crystalline size, lattice parameter and x-ray density by using the standard formula. The saturation magnetization (M_s) decreases from 63.92 to 43.17 emu/g for x?=?0.00 to 0.15 and the coercivity (H_c) increases gradually from 819.85 to 1312.32?Oe with the increase in Ca²⁺ concentration. The dielectric properties of synthesized nano materials were carried out at room temperature. The dielectric parameters such as tangent loss, Cole–Cole plot (Impedance, Modulus), and AC Conductivity were determined for various Ca²⁺ concentration. The frequency dependent dielectric dispersion behaviour of all the samples can be explained by the Maxwell–Wagner two-layer model along with Koop's phenomenological theory. As a result, Ca²⁺ substituted Cobalt ferrite is enhanced with their dielectric and magnetic property which is suitable for a memory device, recording media application and high frequency device.     

Inclusive measurement of [`(p)]\bar p annihilation at rest in gaseous hydrogen to final states containingρ andf2

Antiproton annihilation at rest in gaseous hydrogen (16 bar pressure) to the final states (770)X andf ₂(1270)X, whereX stands for one or more neutral mesons, has been studied at LEAR using the CPLEAR detector. Relative branching ratios are given forX = ⁰,2 ⁰, 3 ⁰ in the case, and forX = ⁰, in thef ₂ case. The annihilation channel has not been measured before. The fraction of P-wave annihilation is deduced from the ratiof ₂ ⁰/ ⁰ to be 0.38±0.07, in good agreement with the result previously obtained by CPLEAR from the ratioK ⁺ K ^-/ ^{+ -}.     

Measurement of π0 and η mesons with PHENIX in ?[`(sNN )]\surd \overline {s_{NN} } 200 GeV Au+Au collisions at RHIC

The π ^o meson has been a crucial probe for observing jet quenching in ultrarelativistic heavy-ion collisions at RHIC. Measurements of the η meson in the same collisions have also shed light on a possible dependence of the observed suppression on the particle species. The preliminary π ⁰ nuclear modification factor R _AA from the 2004 RHIC run allowed a first systematic comparison between a precise measurement with high statistics and theoretical calculations, constraining model parameters such as the initial gluon density dN^g/dy, and the transport coefficient [^(q)]\hat q. The final π ⁰ spectra and R _AA are shown as well as the first η results obtained with both PHENIX electromagnetic calorimeters.     

Measurement of ω mesons via radiative decay mode in ?s\surd s = 200 GeV Au+Au collisions at RHIC-PHENIX

We report on ω mesons’ production via radiative decay mode (ω → π ⁰ γ, π ⁰ → 2γ) in ?s\sqrt s = 200 GeV Au+Au collisions at RHIC-PHENIX. The main difficulty of this analysis is the huge combinatorial background inevitable for reconstructing particles from the three- body decay mode. The emphasis is on the feasibility study using both simulation and real data to search the best parameters that improve S/?BS/\sqrt B . For this purpose, we examine several sets of energy and momentum cuts for selecting π ⁰ and γ. To evaluate the remaining background, we consider three background sources; correlated/uncorrelated background and K _s ⁰ contribution, then we subtract them. The amount of these contributions is determined by a fit on a mass spectrum. The result suggests that ω meson production is suppressed in central Au+Au collisions at high pT region.