Finite-size corrections to entanglement in quantum critical systems

We analyze the finite-size corrections to entanglement in quantum critical systems. By using conformal symmetry and density functional theory, we discuss the structure of the finite-size contributions to a general measure of ground state entanglement, which are ruled by the central charge of the underlying conformal field theory. More generally, we show that all conformal towers formed by an infinite number of excited states (as the size of the system L -> infinity) exhibit a unique pattern of entanglement, which differ only at leading order (1/L)(2). In this case, entanglement is also shown to obey a universal structure, given by the anomalous dimensions of the primary operators of the theory. As an illustration, we discuss the behavior of pairwise entanglement for the eigenspectrum of the spin-1/2 XXZ chain with an arbitrary length L for both periodic and twisted boundary conditions.

Luminescent and thermo-optical properties of Nd(3+)-doped yttrium aluminoborate laser glasses

In this work we performed a thorough spectroscopic and thermo-optical investigation of yttrium aluminoborate glasses doped with neodymium ions. A set of samples, prepared by the conventional melt-quenching technique and with Nd(2)O(3) concentrations varying from 0.1 to 0.75 mol %, were characterized by ground state absorption, photoluminescence, excited state lifetime measurements, and thermal lens technique. For the neodymium emission at 1064 nm ((4)F(3/2) -> (4)I(11/2) transition), no significant luminescence concentration quenching was observed and the experimental lifetime values ranged around 70 mu s. The obtained values of thermal conductivity and diffusivity of approximately 10.3 x 10(-3) W / cm K and 4.0 x 10(-3) cm(2) / s, respectively, are comparable to those of commercial laser glasses. Moreover, the fluorescence quantum efficiency of the glasses, calculated using the Judd-Ofelt formalism and luminescence decay, lies in the range from 0.28 to 0.32, larger than the typical values obtained for Nd(3+) doped YAl(3)(BO(3))(4) crystals. (c) 2009 American Institute of Physics. [DOI: 10.1063/1.3176503]

Antiferromagnetism with spin polarization of GaN-based diluted magnetic semiconductors

The diluted magnetic semiconductors are promising materials for spintronic applications. Usually one intents to find the ferromagnetic state but recently the antiferromagnetism (AFM) was proposed to have some advantages. In this work, we verify the possibility to obtain spin polarization with an AFM state. In particular, we studied GaN 5% double doped with two different transition metals atoms (Mn and Co or Cr and Ni), forming the Mn(x)Co(0.056-x)Ga(0.944)N and Cr(x)Ni(0.056-x)Ga(0.944)N quaternary alloys. In order to simulate these systems in a more realistic way, and take into account composition fluctuations, we adapted the generalized quasichemical approach to diluted alloys, which is used in combination with spin density-functional theory. We find that is possible to obtain an AFM ground state up to 70% spin polarization.

Metastable BrO(2+) and NBr(2+) molecules in the gas phase

The doubly positively charged gas-phase molecules BrO(2+) and NBr(2+) have been produced by prolonged high-current energetic oxygen (17 keV (16)O(-)) ion surface bombardment (ion beam sputtering) of rubidium bromide (RbBr) and of ammonium bromide (NH(4)Br) powdered ionic salt samples, respectively, pressed into indium foil. These novel species were observed at half-integer m/z values in positive ion mass spectra for ion flight times of roughly similar to 12 mu s through a magnetic-sector secondary ion mass spectrometer. Here we present these experimental results and combine them with a detailed theoretical investigation using high level ab initio calculations of the ground states of BrO(2+) and NBr(2+), and a manifold of excited electronic states. NBr(2+) and BrO(2+), in their ground states, are long-lived metastable gas-phase molecules with well depths of 2.73 x 10(4) cm(-1) (3.38 eV) and 1.62 x 10(4) cm(-1) (2.01 eV); their fragmentation channels into two monocations lie 2.31 x 10(3) cm(-1) (0.29 eV) and 2.14 x 10(4) cm(-1) (2.65 eV) below the ground state minimum. The calculated lifetimes for NBr(2+) (v '' < 35) and BrO(2+) (v '' < 18) are large enough to be considered stable against tunneling. For NBr(2+), we predicted R(e) = 3.051 a(0) and omega(e) = 984 cm(-1); for BrO(2+), we obtained 3.033 a(0) and 916 cm(-1), respectively. The adiabatic double ionization energies of BrO and NBr to form metastable BrO(2+) and NBr(2+) are calculated to be 30.73 and 29.08 eV, respectively. The effect of spin-orbit interactions on the low-lying (Lambda + S) states is also discussed. (C) 2011 American Institute of Physics. [doi:10.1063/1.3562121]

Photochemistry of anthocyanins and their biological role in plant tissues

Anthocyanins, the major red, purple, and blue pigments of plants, absorb visible as well as UV radiation and are effective antioxidants and scavengers of active oxygen species. In plant leaves, one of the functional roles proposed for anthocyanins is protection of the photosynthetic apparatus from the effects of excess incident visible or UV-B radiation and photooxidative stress. In essence, a photoprotective role requires that the excited singlet states of both complexed and uncomplexed anthocyanins deactivate back to the ground state so quickly that intersystem crossing, photoreaction, and diffusion-controlled quenching processes cannot compete. Studies of the photochemical properties of synthetic analogs of anthocyanins and of several naturally occurring anthocyanins show that this is indeed the case, uncomplexed anthocyanins decaying back to the ground state via fast (subnanosecond) excited-state proton transfer (ESPT) and anthocyanin-copigment complexes by fast (sub-picosecond) charge-transfer-mediated internal conversion.

Synthesis and Study of the Photophysical Properties of a New Eu(3+) Complex with 3-Hydroxypicolinamide

This work reports on the synthesis and characterization of a new complex of Eu(3+) with the 3-hydroxypicolinamide ligand (Hhpa). Here we present an approach for obtaining bis[2-carbamoyl(kappa O)pyridin-3-olato(kappa O`)] lanthanide complexes, which were characterized through elemental analysis, thermal analysis, infrared and photoluminescence spectroscopies (emission, excitation, luminescence lifetimes, quantum efficiencies, Judd-Ofelt parameters and quantum yields). Although hpa can act as a bidentate ligand in different conformations, the results attest for the occurrence of a unique coordination site of low symmetry for the Eu(3+) ions, in which two anionic hpa ligands coordinate the cations through an O/O chelating system. The phosphorescence of the synthesized gadolinium complex provides the energy of the triplet state, which is determined to be at 20,830 cm(-1) over the ground state. This makes the Hhpa ligand very adequate for sensitizing the Eu(3+) luminescence, which leads to a very efficient antenna effect and opens a wide range of applications for the complex in light emitting organic-inorganic devices.

Schrodinger-Poisson equations without Ambrosetti-Rabinowitz condition

We prove the existence of ground state solutions for a stationary Schrodinger-Poisson equation in R(3). The proof is based on the mountain pass theorem and it does not require the Ambrosetti-Rabinowitz condition. (C) 2010 Elsevier Inc. All rights reserved.

Measurement of thermal neutron cross section and resonance integral for the (165)Ho(n, gamma)(166g)Ho reaction

The ground state thermal neutron cross section and the resonance integral for the (165)Ho(n, gamma)(166)Ho reaction in thermal and 1/E regions, respectively, of a thermal reactor neutron spectrum have been measured experimentally by activation technique. The reaction product, (166)Ho in the ground state, is gaining considerable importance as a therapeutic radionuclide and precisely measured data of the reaction are of significance from the fundamental point of view as well as for application. In this work, the spectrographically pure holmium oxide (Ho(2)O(3)) powder samples were irradiated with and without cadmium covers at the IEA-RI reactor (IPEN, Sao Paulo), Brazil. The deviation of the neutron spectrum shape from 1/E law was measured by co-irradiating Co, Zn, Zr and Au activation detectors with thermal and epithermal neutrons followed by regression and iterative procedures. The magnitudes of the discrepancies that can occur in measurements made with the ideal 1/E law considerations in the epithermal range were studied. The measured thermal neutron cross section at the Maxwellian averaged thermal energy of 0.0253 eV is 59.0 +/- 2.1 b and for the resonance integral 657 +/- 36b. The results are measured with good precision and indicated a consistency trend to resolve the discrepant status of the literature data. The results are compared with the values in main libraries such as ENDF/B-VII, JEF-2.2 and JENDL-3.2, and with other measurements in the literature.

CASPT2 Study of the Potential Energy Surface of the HSO(2) System

The importance of the HSO(2) system in atmospheric and combustion chemistry has motivated several works dedicated to the study of associated structures and chemical reactions. Nevertheless controversy still exists in connection with the reaction SH + O(2) -> H + SO(2) and also related to the role of the HSOO isomers in the potential energy surface (PES). Here we report high-level ab initio calculation for the electronic ground state of the HSO(2) system. Energetic, geometric, and frequency properties for the major stationary states of the PES are reported at the same level of calculations:,CASPT2/aug-cc-pV(T+d)Z. This study introduces three new stationary points (two saddle points and one minimum). These structures allow the connection of the skewed HSOOs and the HSO(2) minima defining new reaction paths for SH + O(2) -> H + SO(2) and SH + O(2) -> OH + SO. In addition, the location of the HSOO isomers in the reaction pathways have been clarified.

Resonant neutrino scattering: An impossible experiment?

The experimental feasibility was investigated for the resonant scattering of monoenergetic neutrinos emitted in the two-body beta decay. A simple general formula shows that the resonance cross section can be as large as of the order of 10(-17) cm(2). The Mossbauer setup using a solid crystal was examined with a focus on the electronic structure of the emitter and the absorber. Based on realistic calculations, we show that interactions of valence electrons in the solid lead to a level broadening of the atomic ground state, which considerably suppresses the resonant scattering of neutrinos. (C) 2010 Elsevier B.V. All rights reserved.

A Precise Formulation of the Third Law of Thermodynamics

The third law of thermodynamics is formulated precisely: all points of the state space of zero temperature I""(0) are physically adiabatically inaccessible from the state space of a simple system. In addition to implying the unattainability of absolute zero in finite time (or ""by a finite number of operations""), it admits as corollary, under a continuity assumption, that all points of I""(0) are adiabatically equivalent. We argue that the third law is universally valid for all macroscopic systems which obey the laws of quantum mechanics and/or quantum field theory. We also briefly discuss why a precise formulation of the third law for black holes remains an open problem.

On translational superfluidity and the Landau criterion for Bose gases in the Gross-Pitaevski limit

The two-fluid and Landau criteria for superfluidity are compared for trapped Bose gases. While the two-fluid criterion predicts translational superfluidity, it is suggested, on the basis of the homogeneous Gross-Pitaevski limit, that a necessary part of Landau`s criterion, adequate for non-translationally invariant systems, does not hold for trapped Bose gases in the GP limit. As a consequence, if the compressibility is detected to be very large (infinite by experimental standards), the two-fluid criterion is seen to be the relevant one in case the system is a translational superfluid, while the Landau criterion is the relevant one if translational superfluidity is absent.

Magnetism of Co overlayers and nanostructures on W(001): A first-principles study

The magnetic properties of Co nanostructures and a Co monolayer on W(001) have been studied in the framework of density functional theory. Different geometries such as planar and three-dimensional clusters have been considered, with cluster sizes varying between 2 and 13 atoms. The calculations were performed using the real-space linear muffin-tin orbital method (RS-LMTO-ASA). With respect to the stability of the magnetic state, we predict an antiferromagnetic (AFM) structure for the ground state of the planar Co clusters and a ferromagnetic (FM) state for the three-dimensional clusters. For the three-dimensional clusters, one of the AFM arrangements leads to frustration due to the competing FM and AFM exchange interactions between different atoms in the cluster, and gives rise to a non-collinear state with energy close to that of the FM ground state. The relative role of the Co-Co and Co-W exchange interactions is also investigated. (C) 2007 Elsevier B.V. All rights reserved.

Spin current in the Mobius cyclacene belts

We report on density functional theory studies of the electronic structure and magnetic properties of Mobius-[n]cyclacenes. The geometry of Mobius bands presents a modulation of bond lengths that is needed to accommodate the twist. This modulation takes the form of bond alternation defects analogous to those of solitons in polyacetylene. The ground state of all Mobius bands is a triplet, with a spin density distribution that follows the bond length modulation. A molecular dynamics simulation of the Mobius cyclacene at 300 K shows that the twist travels around the belt inducing a magnetic current. (C) 2009 Elsevier B. V. All rights reserved.

Probing the (6,7)Li nucleon densities through a new break-up process approach

In this work we present a double folding optical model analysis of new near-barrier quasi-elastic experimental data for the (6,7)Li + (120)Sn systems. From the analysis, it was possible to confirm the ground-state nucleon densities assumed for the weakly bound (6,7)Li isotopes. The apparent discrepancies between the experimental densities and those based on Dirac-Hartree-Fock Bogoliubov (DHB) calculations were removed. A new approach that simulates the projectile break-up and a positive polarization from couplings of (6,7)Li bound states with the continuum was considered in the reaction mechanism. (C) 2010 Elsevier B.V. All rights reserved.