Electronic Correlations, Jahn-Teller Distortions and Mott Transition to Superconductivity in Alkali-C60 Compounds

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Alloul H.

2012-03-01

Full Text Available The discovery in 1991 of high temperature superconductivity (SC in A3C60 compounds, where A is an alkali ion, has been rapidly ascribed to a BCS mechanism, in which the pairing is mediated by on ball optical phonon modes. While this has lead to consider that electronic correlations were not important in these compounds, further studies of various AnC60 with n=1, 2, 4 allowed to evidence that their electronic properties cannot be explained by a simple progressive band filling of the C60 six-fold degenerate t1u molecular level. This could only be ascribed to the simultaneous influence of electron correlations and Jahn-Teller Distortions (JTD of the C60 ball, which energetically favour evenly charged C60 molecules. This is underlined by the recent discovery of two expanded fulleride Cs3C60 isomeric phases which are Mott insulators at ambient pressure. Both phases undergo a pressure induced first order Mott transition to SC with a (p, T phase diagram displaying a dome shaped SC, a common situation encountered nowadays in correlated electron systems. NMR experiments allowed us to study the magnetic properties of the Mott phases and to evidence clear deviations from BCS expectations near the Mott transition. So, although SC involves an electron-phonon mechanism, the incidence of electron correlations has an importance on the electronic properties, as had been anticipated from DMFT calculations.

System Ba/sub 2/Znsub(1-x)Cusub(x)UO/sub 6/ - a vibrational spectroscopic proof of the Jahn Teller effect

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Rother, H J [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1979-01-01

The ordered perovskites Ba/sub 2/ZnUO/sub 6/ (cubic, space group Fm3m) and Ba/sub 2/CuUO/sub 6/ (tetragonal, space group I/sub 4//mmm) form solid solutions. For small Cu content the lattice symmetry is cubic, with x>=0.25 an increasing tetragonal distortion (c/a ..sqrt..2 > 1) is observed. From the vibrational spectra and in accordance with the factor group analysis the symmetry of the UO/sub 6/ octahedra is for small Cu content Osub(h) and on the Cu-rich side Dsub(4h). In the region of the lattice vibrations (T/sub 2/ field) the lifting of the degeneracy - due to the Jahn Teller effect of Cu/sup 2 +/ - leads to a band separation, which decreases with sinking copper content. Therefore the Jahn Teller effect is easily noticeable with vibrational spectroscopic methods. In the corresponding series with Wsup(VI) the vibrational spectroscopic investigations lead qualitatively to the same results as in the Usup(VI) system. As further examples the stacking polytypes Ba/sub 2/ZnTeO/sub 6/ and Ba/sub 2/CuTeO/sub 6/ are considered. The vibrational spectra show, that the Jahn Teller effect in this lattice, which is strengthened by partial face-sharing of octahedra, is less pronounced than in the perovskites in which only corner-sharing is present.

Jahn Teller effect of cations in water: The cupric ion in water

Energy Technology Data Exchange (ETDEWEB)

Halley, J.W. [Minnesota Univ., Minneapolis, MN (United States). School of Physics and Astronomy; Wang, X.R. [Hong Kong Univ. of Science and Technology, Kowlon (Hong Kong). Dept. of Physics; Curtiss, L.A. [Argonne National Lab., IL (United States)

1993-02-01

We report a molecular dynamics model for the Jahn Teller effect in the solvation shell of a cation in solution in an aqueous liquid. We apply the model to the cupric ion and compare results with results of neutron scattering experiments on copper chlorate solutions. We conclude that the original interpretation of the experiments in terms of a Jan Teller effect may require modification.

On the interplay of Jahn-Teller physics and Mott physics in cuprates

International Nuclear Information System (INIS)

Kamimura, H; Ushio, H

2008-01-01

The extended two-story house model which is now called the Kamimura-Suwa (K-S) model has clarified how the interplay of Mott physics and Jahn-Teller physics plays an important role in determining the superconducting as well as metallic state of underdoped cuprates. In this paper it is first pointed out for underdoped cuprates that Mott physics leads to the existence of local antiferromagnetic order constructed from the localized spins while that the anti-Jahn-Teller effect as a central issue of Jahn-Teller physics leads to the existence of two kinds of orbitals parallel and perpendicular to a CuO 2 plane whose states have nearly the same energy. As a result of the interplay of both physics the K-S model has shown that the exchange interactions between the spins of a localized hole and of a carrier hole play an important role in producing the coexistence of superconductivity and antiferromagnetism in underdoped cuprates. The appearance of d-wave superconductivity even in the phonon-involved mechanism is also shown to be due to the interplay of Jahn-Teller physics and Mott Physics. Brief review of these facts as well as the K-S model is given in this paper. More outstanding result in this paper is that the origin of pseudogap in the deeply underdoped regime has been clarified. In this paper it is shown theoretically for the first time that the so-called T* pseudogap observed in ARPES, STM and tunneling experiments below T c in underdoped cuprates corresponds to the real transition of photo-excited electrons from the occupied states in the originally conduction band below the superconducting gap to a free-electron state above the vacuum level. Thus we conclude that the T* pseudogap in the underdoped cuprates which increases with decreasing the hole concentration is not 'pseudo', but a real gap which exists even below T c

Jahn-Teller effect versus Hund's rule coupling in C60N-

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Wehrli, S.; Sigrist, M.

2007-09-01

We propose variational states for the ground state and the low-energy collective rotator excitations in negatively charged C60N- ions (N=1,…,5) . The approach includes the linear electron-phonon coupling and the Coulomb interaction on the same level. The electron-phonon coupling is treated within the effective mode approximation which yields the linear t1u⊗Hg Jahn-Teller problem whereas the Coulomb interaction gives rise to Hund’s rule coupling for N=2,3,4 . The Hamiltonian has accidental SO(3) symmetry which allows an elegant formulation in terms of angular momenta. Trial states are constructed from coherent states and using projection operators onto angular momentum subspaces which results in good variational states for the complete parameter range. The evaluation of the corresponding energies is to a large extent analytical. We use the approach for a detailed analysis of the competition between Jahn-Teller effect and Hund’s rule coupling, which determines the spin state for N=2,3,4 . We calculate the low-spin-high-spin gap for N=2,3,4 as a function of the Hund’s rule coupling constant J . We find that the experimentally measured gaps suggest a coupling constant in the range J=60-80meV . Using a finite value for J , we recalculate the ground state energies of the C60N- ions and find that the Jahn-Teller energy gain is partly counterbalanced by the Hund’s rule coupling. In particular, the ground state energies for N=2,3,4 are almost equal.

Modulation of Jahn-Teller effect on magnetization and spontaneous electric polarization of CuFeO2

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Xiao, Guiling; Xia, Zhengcai; Wei, Meng; Huang, Sha; Shi, Liran; Zhang, Xiaoxing; Wu, Huan; Yang, Feng; Song, Yujie; Ouyang, Zhongwen

2018-03-01

CuFe0.99Mn0.01O2 and CuFe0.99Co0.01O2 single crystal samples are grown by a floating zone technique and their magnetization and spontaneous electric polarization have been investigated. Similarly with pure CuFeO2, an obviously anisotropic magnetization and spontaneous electric polarization were observed in the both doped samples, and their phase transition critical fields and temperatures are directly doping ion dependent. Considering the different d-shell configuration and ionic size between Mn3+, Co3+ and Fe3+ ions, in which the Mn3+ ion with Jahn-Teller (J-T) effect has different distortion on the geometry frustration from both of Fe3+ and Co3+ ion. Since for Mn3+ ion, the orbital splitting results from the low-symmetry J-T distortion in a crystal-field environment leads to a distorted MnO6 octahedron, which different from undistorted FeO6 and CoO6 octahedrons. The strain between distorted and undistorted octahedrons produces different effects on the spin reorientation transition and spontaneous electric polarization. Although the pure CuFeO2 has a very strong and robust frustration, the presence of the strain due to the random distribution of distorted MnO6 octahedron and undistorted CoO6 (FeO6) octahedrons leads to its spin reorientation transitions and spontaneous electric polarization different from CuFeO2.

On the relation between Jahn-Teller ordering and charge ordering

International Nuclear Information System (INIS)

Eijndhoven, J.C.M van.

1978-01-01

This thesis compares the structures of KCusup(II)F 3 and Cs 2 Ausup(I)Ausup(III)Cl 6 . Both compounds have a structure that can be thought to result from a deformation of the cubic perovskite structure. The deformation of KCusup(II)F 3 is a result of a cooperative Jahn-Teller effect and the deformation of Cs 2 Ausup(I)Ausup(III)Cl 6 results in two sublattices. The structures of both compounds result from a continuous phase transition from the cubic pervskite structure due to a deformation of symmetry. Using local coordinates and a calculation of the electron-lattice interaction in a static approximation, four structure types were derived. One is the structure of Cs 2 AuAuCl 6 at ambient temperature and pressure and the second contains a group of structures corresponding to the structures found for KCuF 3 . The third structure type was recently suggested for Cs 2 AuAuCl 6 under pressure and the fourth has not been found experimentally. Two types show a Jahn-Teller ordering and the other two charge ordering (Auth./C.F.)

Pseudo-Jahn-Teller Distortion in Two-Dimensional Phosphorus: Origin of Black and Blue Phases of Phosphorene and Band Gap Modulation by Molecular Charge Transfer.

Science.gov (United States)

Chowdhury, Chandra; Jahiruddin, Sheik; Datta, Ayan

2016-04-07

Phosphorene (Pn) is stabilized as a layered material like graphite, yet it possess a natural direct band gap (Eg = 2.0 eV). Interestingly, unlike graphene, Pn exhibits a much richer phase diagram which includes distorted forms like the stapler-clip (black Pn, α form) and chairlike (blue Pn, β form) structures. The existence of these phases is attributed to pseudo-Jahn-Teller (PJT) instability of planar hexagonal P6(6-) rings. In both cases, the condition for vibronic instability of the planar P6(6-) rings is satisfied. Doping with electron donors like tetrathiafulvalene and tetraamino-tetrathiafulvalene and electron acceptors like tetracyanoquinodimethane and tetracyanoethylene convert blue Pn into N-type and black Pn into efficient P-type semiconductors, respectively. Interestingly, pristine blue Pn, an indirect gap semiconductor, gets converted into a direct gap semiconductor on electron or hole doping. Because of comparatively smaller undulation in blue Pn (with respect to black Pn), the van der Waals interactions between the dopants and blue Pn is stronger. PJT distortions for two-dimensional phosphorus provides a unified understanding of structural features and chemical reactivity in its different phases.

Wave-Vector Dependence of the Jahn-Teller Interactions in TmVO4

DEFF Research Database (Denmark)

Kjems, Jørgen; Hayes, W.; Smith, S. H.

1975-01-01

The resonant Jahn-Teller coupling of the B2g acoustic phonon and the Zeeman-split ground doublet in TmVO4 has been studied by inelastic neutron scattering. Tuning of the magnetic field provides a means for investigating the wave-vector dependence of the interactions. We find that the coupling...

Bcc and Fcc transition metals and alloys: a central role for the Jahn-Teller effect in explaining their ideal and distorted structures.

Science.gov (United States)

Lee, Stephen; Hoffmann, Roald

2002-05-01

Transition metal elements, alloys, and intermetallic compounds often adopt the body centered cubic (bcc) and face centered cubic (fcc) structures. By comparing quantitative density functional with qualitative tight-binding calculations, we analyze the electronic factors which make the bcc and fcc structures energetically favorable. To do so, we develop a tight-binding function, DeltaE(star), a function that measures the energetic effects of transferring electrons within wave vector stars. This function allows one to connect distortions in solids to the Jahn-Teller effect in molecules and to provide an orbital perspective on structure determining deformations in alloys. We illustrate its use by considering first a two-dimensional square net. We then turn to three-dimensional fcc and bcc structures, and distortions of these. Using DeltaE(star), we rationalize the differences in energy of these structures. We are able to deduce which orbitals are responsible for instabilities in seven to nine valence electron per atom (e(-)/a) bcc systems and five and six e(-)/a fcc structures. Finally we demonstrate that these results account for the bcc and fcc type structures found in both the elements and binary intermetallic compounds of group 4 through 9 transition metal atoms. The outline of a theory of metal structure deformations based on loss of point group operation rather than translational symmetry is presented.

Jahn-Teller coupling at ND1 and GR1 centres in diamond

International Nuclear Information System (INIS)

Lowther, J.E.

1978-01-01

Stress parameters associated with the splitting of the GR1 and ND1 lines are examined in the light of the recent suggestion that ND1 arises from the negatively charged vacancy. The stress parameters are totally consistent with this interpretation; Jahn-Teller coupling in the excited states being similar for both centres. (author)

Synthetic, structural, spectroscopic and theoretical study of a Mn(III)-Cu(II) dimer containing a Jahn-Teller compressed Mn ion

DEFF Research Database (Denmark)

Berg, Nelly; Hooper, Thomas N.; Liu, Junjie

2013-01-01

The heterobimetallic complex [Cu(II)Mn(III)(L)(2)(py)(4)](ClO(4))·EtOH (1) built using the pro-ligand 2,2'-biphenol (LH(2)), contains a rare example of a Jahn-Teller compressed Mn(III) centre. Dc magnetic susceptibility measurements on 1 reveal a strong antiferromagnetic exchange between the Cu...

Variation of the Jahn-Teller distortion with pressure in the layered perovskite Rb2CuCl4: local and crystal compressibilities

International Nuclear Information System (INIS)

Aguado, F; RodrIguez, F; Valiente, R; Hanfland, M; Itie, J P

2007-01-01

This work investigates the effect of pressure on the Jahn-Teller distortion (JTD) associated with the axially elongated CuCl 6 octahedra in the A 2 CuCl 4 perovskite layer (A: Rb, CH 3 NH 3 , C 2 H 5 NH 3 , C 3 H 7 NH 3 ). The aim is to elucidate whether pressure favours disappearance of the JTD in the antiferrodistortive (AFD) structure exhibited by Cu 2+ within the layers or whether it induces tilts of the CuCl 6 octahedra preserving the molecular distortion associated with the JT effect. We have carried out x-ray absorption (XAS) and x-ray diffraction (XRD) experiments under pressure along the compound series, whose interlayer distances at ambient pressure vary from 7.77 to 12.33 A. The use of both XAS and XRD techniques allows us a complete local- and crystal-structure characterization in Rb 2 CuCl 4 as a function of pressure in the 0-16 GPa range. We show that pressure reduces the axial (long) and equatorial (short) Cu-Cl distances, R ax and R eq , as well as the intralayer and interlayer Cu-Cu distances, d Cu-Cu and d inter . Interestingly, the variation of R ax is an order of magnitude bigger than that of the corresponding R eq , yielding a reduction of the JTD. However, no evidence of JTD suppression has been observed below 16 GPa. Pressure-induced CuCl 6 tilting preserves the JTD in a wide pressure range. Estimates based on structural data suggest that JT suppression would occur at about 40 GPa

Jahn-Teller effect in molecular electronics: quantum cellular automata

Science.gov (United States)

Tsukerblat, B.; Palii, A.; Clemente-Juan, J. M.; Coronado, E.

2017-05-01

The article summarizes the main results of application of the theory of the Jahn-Teller (JT) and pseudo JT effects to the description of molecular quantum dot cellular automata (QCA), a new paradigm of quantum computing. The following issues are discussed: 1) QCA as a new paradigm of quantum computing, principles and advantages; 2) molecular implementation of QCA; 3) role of the JT effect in charge trapping, encoding of binary information in the quantum cell and non-linear cell-cell response; 4) spin-switching in molecular QCA based on mixed-valence cell; 5) intervalence optical absorption in tetrameric molecular mixed-valence cell through the symmetry assisted approach to the multimode/multilevel JT and pseudo JT problems.

Cyclopropenyl Anions: Carbon Tunneling or Diradical Formation? A Contest between Jahn-Teller and Hund.

Science.gov (United States)

Kozuch, Sebastian

2015-07-14

The π bond shifting (automerization) by carbon tunneling of cyclopropenyl anions was computationally analyzed by the small curvature tunneling methodology. Similar to other antiaromatic cases, the process is hindered by substituents departing from planarity, since these groups must be realigned along with the π bond shifting. With hydrogens as substituents the tunneling is extremely fast, in a case of both heavy and light atom tunneling. But, with more massive substituents (such as Me and F), and especially with longer groups (such as CN), the tunneling probability is reduced or even virtually canceled. The automerization of triphenylcyclopropyl anion by tunneling was supposed to be impossible due to the high mass of the phenyl groups. However, it was found that the ground state of this species is actually a D3h aromatic triplet, a single-well system that cannot undergo automerization. For this and other systems with π acceptor groups, the superposition of states that generates the second-order Jahn-Teller distortion is diminished, and by Hund's rule, the triplet results in the ground state.

Quantifying the effects of higher order coupling terms on fits using a second order Jahn-Teller Hamiltonian

Science.gov (United States)

Tran, Henry K.; Stanton, John F.; Miller, Terry A.

2018-01-01

The limitations associated with the common practice of fitting a quadratic Hamiltonian to vibronic levels of a Jahn-Teller system have been explored quantitatively. Satisfactory results for the prototypical X∼2E‧ state of Li3 are obtained from fits to both experimental spectral data and to an "artificial" spectrum calculated by a quartic Hamiltonian which accurately reproduces the adiabatic potential obtained from state-of-the-art quantum chemistry calculations. However the values of the Jahn-Teller parameters, stabilization energy, and pseudo-rotation barrier obtained from the quadratic fit differ markedly from those associated with the ab initio potential. Nonetheless the RMS deviations of the fits are not strikingly different. Guidelines are suggested for comparing parameters obtained from fits to experiment to those obtained by direct calculation, but a principal conclusion of this work is that such comparisons must be done with a high degree of caution.

Jahn-Teller coupling of Cr2+ ion with degenerate modes in ZnS, ZnSe, and ZnTe crystals: microscopic treatment

International Nuclear Information System (INIS)

Natadze, A.L.; Ryskin, A.I.

1980-01-01

The Jahn-Teller (JT) interaction energy is calculated for 5 T 2 and 5 E states of the Cr 2+ ion in ZnS, ZnSe, and ZnTe crystals. The calculations are made within the framework of a particular microscopic model of the crystal field in the distorted crystal (model of point-like exchange charges), the multimode interaction is taken into account. For the 5 T 2 term the energies of interaction with tetragonal and trigonal modes are of the same order of magnitude. This circumstance results in a small height of the barriers that separate various minima of the adiabatic potential and is responsible for the dynamic aspect of the static JT effect in these systems. (author)

Quantum friction of pseudorotation in Jahn-Teller system: Passage through conical intersection

Energy Technology Data Exchange (ETDEWEB)

Pae, Kaja, E-mail: kaja.pae@gmail.com; Hizhnyakov, Vladimir [Institute of Physics, University of Tartu, W. Ostwaldi 1, 50411 Tartu (Estonia)

2016-08-14

A theoretical study of the relaxation of an excited impurity center with strong E × e-type Jahn-Teller effect, caused by the emission of phonons to the bulk, is presented. The dependence of the passing the system through the conical intersection of the potential surface on the momentum of the pseudorotation is figured out. An analytical description of the quantum states of the conical intersection (Slonczewski resonances) is given. It is found that for realistic vibronic interactions with phonons, the characteristic time of the energy loss is several tenths of mean periods of phonons, i.e., it is in the picosecond range. It is also found that there is a finite probability of the speeding-up of the pseudorotation of the system at the intermediate stage of relaxation. In particular, this probability increases close to the Slonczewski resonances. During the relaxation, the system may change the direction of the pseudomoment; the probability of such a change also increases near the resonances.

A Genuine Jahn-Teller System with Compressed Geometry and Quantum Effects Originating from Zero-Point Motion

DEFF Research Database (Denmark)

Aramburu, José Antonio; García-Fernández, Pablo; García Lastra, Juan Maria

2016-01-01

that the anomalous positive g∥ shift (g∥−g0=0.065) measured at T=20 K obeys the superposition of the |3 z2−r2⟩ and |x2−y2⟩ states driven by quantum effects associated with the zero-point motion, a mechanism first put forward by O'Brien for static Jahn–Teller systems and later extended by Ham to the dynamic Jahn...... of the calculated energy barriers for different Jahn–Teller systems allowed us to explain the origin of the compressed geometry observed for CaO:Ni+....

Variation of the Jahn-Teller distortion with pressure in the layered perovskite Rb{sub 2}CuCl{sub 4}: local and crystal compressibilities

Energy Technology Data Exchange (ETDEWEB)

Aguado, F [DCITIMAC, Facultad de Ciencias, Universidad de Cantabria, Santander 39005 (Spain); RodrIguez, F [DCITIMAC, Facultad de Ciencias, Universidad de Cantabria, Santander 39005 (Spain); Valiente, R [Departamento de Fisica Aplicada, Universidad de Cantabria, Santander 39005 (Spain); Hanfland, M [ESRF, BP220, 156 rue des Martires, 38043 Grenoble Cedex (France); Itie, J P [Universite Pierre et Marie Curie, B77 4 Place Jussieu 75252 Paris Cedex 05 (France)

2007-08-29

This work investigates the effect of pressure on the Jahn-Teller distortion (JTD) associated with the axially elongated CuCl{sub 6} octahedra in the A{sub 2}CuCl{sub 4} perovskite layer (A: Rb, CH{sub 3}NH{sub 3}, C{sub 2}H{sub 5}NH{sub 3}, C{sub 3}H{sub 7}NH{sub 3}). The aim is to elucidate whether pressure favours disappearance of the JTD in the antiferrodistortive (AFD) structure exhibited by Cu{sup 2+} within the layers or whether it induces tilts of the CuCl{sub 6} octahedra preserving the molecular distortion associated with the JT effect. We have carried out x-ray absorption (XAS) and x-ray diffraction (XRD) experiments under pressure along the compound series, whose interlayer distances at ambient pressure vary from 7.77 to 12.33 A. The use of both XAS and XRD techniques allows us a complete local- and crystal-structure characterization in Rb{sub 2}CuCl{sub 4} as a function of pressure in the 0-16 GPa range. We show that pressure reduces the axial (long) and equatorial (short) Cu-Cl distances, R{sub ax} and R{sub eq}, as well as the intralayer and interlayer Cu-Cu distances, d{sub Cu-Cu} and d{sub inter}. Interestingly, the variation of R{sub ax} is an order of magnitude bigger than that of the corresponding R{sub eq}, yielding a reduction of the JTD. However, no evidence of JTD suppression has been observed below 16 GPa. Pressure-induced CuCl{sub 6} tilting preserves the JTD in a wide pressure range. Estimates based on structural data suggest that JT suppression would occur at about 40 GPa.

α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8: new quaternary mixed metal oxides composed of only second-order Jahn-Teller distortive cations.

Science.gov (United States)

Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min

2013-10-07

Three new quaternary scandium vanadium selenium/tellurium oxides, α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8 have been synthesized through hydrothermal and standard solid-state reactions. Although all three reported materials are stoichiometrically similar, they exhibit different crystal structures: α-ScVSe2O8 has a three-dimensional framework structure consisting of ScO6, VO6, and SeO3 groups. β-ScVSe2O8 reveals another three-dimensional framework composed of ScO7, VO5, and SeO3 polyhedra. ScVTe2O8 shows a layered structure with ScO6, VO4, and TeO4 polyhedra. Interestingly, the constituent cations, that is, Sc(3+), V(5+), Se(4+), and Te(4+) are all in a distorted coordination environment attributable to second-order Jahn-Teller (SOJT) effects. Complete characterizations including infrared spectroscopy, elemental analyses, thermal analyses, dipole moment calculation, and the magnitudes of out-of-center distortions for the compounds are reported. Transformation reactions suggest that α-ScVSe2O8 may change to β-ScVSe2O8, and then to Sc2(SeO3)3·H2O under hydrothermal conditions.

Jahn-Teller effect in vanadium, niobium and tantalum tetrafluoride molecules: ab initio study by the CASSCF method

International Nuclear Information System (INIS)

Solomonik, V.G.; Pogrebnaya, T.P.

2001-01-01

The basic and the first exciting electronic state of the VF 4 , NbF 4 and TaF 4 molecules were studied by the self-consistent field multifunctional method in the approximation of active orbitals full space. The symmetry of these states is defined as 2 E and 2 T 2 at tetrahedron configuration of the nuclei. The energies of electron excitation 2 E → 2 T 2 comprise 11610 (VF 4 ), 13450 (NbF 4 ) and 12560 cm -1 (TaF 4 ). In line to Jahn-Teller theorem the calculations evidenced instability of tetrahedron configuration of the molecules in the orbital-singular electronic states 2 E and 2 T 2 . The properties of the systems of the molecule potential energies were found, in keeping with deformation of tetrahedron configuration of the nuclei along the oscillation coordinates of the e symmetry, active in the Jahn-Teller effect. Equilibrium geometric configuration of the molecules with the lowest energy has a symmetry D 2d as in the basic ( 2 A 1 ), so in the first excited electronic state. The energy of the adiabatic electronic excitation 2 A 1 → 2 B 2 is equal to 8440 (VF 4 ), 9050 (NbF 4 ) and 11920 cm -1 (TaF 4 ). Deviations of molecules equilibrium geometry on the structure of the normal tetrahedron and the energy of Jahn-Teller stabilization E JT grow essentially in the series of the molecules VF 4 → NbF 4 → TaF 4 : E JT =E(T d , 2 E)Epy - E(D 2d , 2 A 1 )=412, 1856, 5970 cm -1 ; E JT =E(T d , 2 T 2 ) - E(D 2d , 2 B 2 )=3584, 6259, 6611 cm -1 . The quadratic force constants, the frequencies of normal oscillations and the intensities in the IR spectra of the VF 4 , NbF 4 and TaF 4 molecules in the basic state were calculated [ru

Jahn-Teller effect in Rydberg series: A multi-state vibronic coupling problem

International Nuclear Information System (INIS)

Staib, A.; Domcke, W.; Sobolewski, A.L.

1990-01-01

Two simple limiting cases of Jahn-Teller (JT) coupling in Rydberg states of polyatomic molecules are considered, namely (i) JT coupling in Rydberg orbitals as well as in the ionization continuum (nondegenerate ion core, degenerate Rydberg series) and (ii) JT coupling in the ion core (degenerate ion core, nondegenerate Rydberg series). For both models simple and efficient algorithms for the computation of spectra (dynamical JT effect) are developed. The orbital JT effect is shown to represent a novel type of multi-state vibronic coupling, giving rise to interesting spectroscopic phenomena, among them resonant inter-Rydberg perturbations and JT induced autoionization. Particular attention is paid to the demonstration of the characteristic spectroscopic signatures of the two types of JT coupling in Rydberg states. (orig.)

Synthesis under pressure and characterizations through optical spectroscopy of jahn-teller cations (LS Ni3+, is Co3+) as probes diluted in a perovskite matrix

Science.gov (United States)

Sanz-Ortiz, M. N.; Rodríguez, F.; Baranov, A.; Demazeau, G.

2008-07-01

The objective is to explore through optical spectroscopy and magnetic measurements the coordination and electronic structures of transition-metal ions introduced as impurities with unusual valence states in the oxide perovskite LaAlO3. The selected transition-metal ions Ni3+(3d7) and Co3+(3d6) are characterized by an electronic configuration likely leading to an orbital degenerate E state in Oh symmetry, and thus electron-lattice coupling due to the Jahn-Teller effect may induce low symmetry distortion around the impurity oxygen octahedron. We show that a sol-gel process followed by high oxygen pressure treatments yields stabilization of trivalent state in oxide perovskite. Information about the coordination, electronic structure and aggregation around the magnetic impurity was obtained from X-ray diffraction, FTIR and optical spectroscopy. Finally, evidence on the possible existence of intermediate spin state in Co3+ is under consideration.

Synthesis under pressure and characterizations through optical spectroscopy of jahn-teller cations (LS Ni3+, is Co3+) as probes diluted in a perovskite matrix

International Nuclear Information System (INIS)

Sanz-Ortiz, M N; RodrIguez, F; Baranov, A; Demazeau, G

2008-01-01

The objective is to explore through optical spectroscopy and magnetic measurements the coordination and electronic structures of transition-metal ions introduced as impurities with unusual valence states in the oxide perovskite LaAlO 3 . The selected transition-metal ions Ni 3+ (3d 7 ) and Co 3+ (3d 6 ) are characterized by an electronic configuration likely leading to an orbital degenerate E state in Oh symmetry, and thus electron-lattice coupling due to the Jahn-Teller effect may induce low symmetry distortion around the impurity oxygen octahedron. We show that a sol-gel process followed by high oxygen pressure treatments yields stabilization of trivalent state in oxide perovskite. Information about the coordination, electronic structure and aggregation around the magnetic impurity was obtained from X-ray diffraction, FTIR and optical spectroscopy. Finally, evidence on the possible existence of intermediate spin state in Co 3+ is under consideration

Jahn-Teller and Non-Jahn-Teller Systems Involving CuF64- Units: Role of the Internal Electric Field in Ba2ZnF6:Cu2+ and Other Insulating Systems

DEFF Research Database (Denmark)

Aramburu, J. A.; Garcia-Fernandez, P.; García Lastra, Juan Maria

2017-01-01

The applicability of the Jahn-Teller (JT) framework to 6-fold coordinated d9 ions whose local symmetry is not strictly octahedral is explored by means of first principle calculations. Our results contradict much of the existing literature where these systems are analyzed within the quasi-JT regime...... transitions for CuF64- units formed in Cu2+-doped the tetragonal Ba2ZnF6 host lattice. While the experimental d-d transitions cannot be reproduced through the isolated CuF64- unit at the equilibrium geometry, a reasonable agreement is reached adding in the calculation the internal electric field, ER...... state with the hole in the a1g(∼ 3z2-r2) level while it is always placed in the b1g(∼ x2-y2) level for MX6 complexes (M = Cu2+, Ag2+, NiΤ; X = F--, Cl-) in cubic lattices displaying a static JT effect. While the experimental results of CuF64- in Ba2ZnF6 cannot be understood within the JT framework...

Generalized Born-Oppenheimer treatment of Jahn-Teller systems in Hilbert spaces of arbitrary dimension: theory and application to a three-state model potential.

Science.gov (United States)

Varandas, A J C; Sarkar, B

2011-05-14

Generalized Born-Oppenheimer equations including the geometrical phase effect are derived for three- and four-fold electronic manifolds in Jahn-Teller systems near the degeneracy seam. The method is readily extendable to N-fold systems of arbitrary dimension. An application is reported for a model threefold system, and the results are compared with Born-Oppenheimer (geometrical phase ignored), extended Born-Oppenheimer, and coupled three-state calculations. The theory shows unprecedented simplicity while depicting all features of more elaborated ones.

A study of cooperative Jahn-Teller phase transitions in rare-earth vanadates by linear birefringence

International Nuclear Information System (INIS)

Gehring, G.A.; Harley, R.T.; Macfarlane, R.M.

1980-01-01

Changes in linear birefringence (Δn) associated with the cooperative Jahn-Teller phase transition of DyV04 near 14K as as a function of temperature and magnetic fields, B, between 0.024 and 0.095T have been measured. Theoretical arguments show that Δn is directly proportional to the order parameter of the transition and that B(2) is equivalent to the conjugate ordering field. By extrapolation to zero field the temperature dependence of the order parameter and the susceptibility were obtained. The data are compared with calculations based on a mean-field 'compressible' Ising model. For a reasonable choice of adjustable parameters this classical description gives a good fit to the data close to Tsub(D) consistent with general theoretical arguments and more detailed calculations, but it deviates progressively away from Tsub(D) presumably because of the known importance of short-range interactions in the system. (author)

Effects of strong electron correlations in Ti8C12 Met-Car

International Nuclear Information System (INIS)

Varganov, Sergey A.; Gordon, Mark S.

2006-01-01

The results of multireference configuration interaction (MRCI) with single and double excitations and single reference coupled cluster (CCSD(T)) calculations on Ti 8 C 12 metallocarbohedryne (Met-Car) are reported. The distortions of the T d structure to D 2d and C 3v structures due to the Jahn-Teller effect are studied. It is shown that the Ti 8 C 12 wave function has significant multireference character. The choice of the active space for multireference self-consistent field (MCSCF) calculations is discussed. The failure of multireference perturbation theory with a small active space is attributed to multiple intruder states. A new, novel type of MCSCF calculation, ORMAS (occupation restricted multiple active spaces) with a large active space are carried out for several electronic states of Ti 8 C 12 . The Jahn-Teller distorted D 2d 1 A 1 (nearly T d ) structure is predicted to be the Ti 8 C 12 ground state. Predictions of the Ti 8 C 12 ionization potential with different ab initio methods are presented

The influence of band Jahn-Teller effect and magnetic order on the magneto-resistance in manganite systems

Energy Technology Data Exchange (ETDEWEB)

Rout, G.C., E-mail: gcr@iopb.res.i [Condensed Matter Physics Group, Department of Applied Physics and Ballistics, F.M. University, Balasore, Orissa 756019 (India); Parhi, Nilima [Department of Physics, M.P.C. (Autonomous) College, Baripada, Orissa 757001 (India); Behera, S.N. [Institute of Material Science, Bhubaneswar 751004 (India)

2009-08-01

A model calculation is presented in order to study the magneto-resistivity through the interplay between magnetic and structural transitions for the manganite systems. The model consists of an orbitally doubly degenerate conduction band and a periodic array of local moments of the t{sub 2g} electrons. The band electrons interact with the local t{sub 2g} electrons via the s-f hybridization. The phonons interact with the band electrons through static and dynamic band Jahn-Teller (J-T) interaction. The model Hamiltonian including the above terms is solved for the single particle Green's functions and the imaginary part of the self-energy gives the electron relaxation time. Thus the magneto-resistivity (MR) is calculated from the Drude formula. The MR effect is explained near the magnetic and structural transition temperatures.

Conduction band-edge d-states in high-k dielectrics due to Jahn-Teller term splittings

International Nuclear Information System (INIS)

Lucovsky, G.; Fulton, C.C.; Zhang, Y.; Luning, J.; Edge, L.; Whitten, J.L.; Nemanich, R.J.; Schlom, D.G.; Afanase'v, V.V.

2005-01-01

X-ray absorption spectroscopy (XAS) is used to study conduction band edge electronic structure of high-k transition metal (TM) and trivalent lanthanide series rare earth (RE) oxide dielectrics. Empty TM/RE d-states are studied by intra-atomic transitions originating in core level spin-orbit split p-states, and conduction band states are studied in inter-atomic transitions which originate in the oxygen atom 1s core level state. In non-crystalline Zr and Hf silicate alloys, the local bonding symmetry, or crystal field splits these d-states into doubly and triply degenerate features. In nano-crystalline oxides, there are additional d-state splittings due to contributions of more distant neighbors that completely remove d-state degeneracies via the Jahn-Teller effect mechanism. This gives rise to highly localized band edge states that are electronically active in photoconductivity, internal photoemission, and act as bulk traps in metal oxide semiconductor (MOS) devices

Ab initio theory of spin-orbit coupling for quantum bits in diamond exhibiting dynamic Jahn-Teller effect

Science.gov (United States)

Gali, Adam; Thiering, Gergő

Dopants in solids are promising candidates for implementations of quantum bits for quantum computing. In particular, the high-spin negatively charged nitrogen-vacancy defect (NV) in diamond has become a leading contender in solid-state quantum information processing. The initialization and readout of the spin is based on the spin-selective decay of the photo-excited electron to the ground state which is mediated by spin-orbit coupling between excited states states and phonons. Generally, the spin-orbit coupling plays a crucial role in the optical spinpolarization and readout of NV quantum bit (qubit) and alike. Strong electron-phonon coupling in dynamic Jahn-Teller (DJT) systems can substantially influence the effective strength of spin-orbit coupling. Here we show by ab initio supercell density functional theory (DFT) calculations that the intrinsic spin-orbit coupling is strongly damped by DJT effect in the triplet excited state that has a consequence on the rate of non-radiative decay. This theory is applied to the ground state of silicon-vacancy (SiV) and germanium-vacancy (GeV) centers in their negatively charged state that can also act like qubits. We show that the intrinsic spin-orbit coupling in SiV and GeV centers is in the 100 GHz region, in contrast to the NV center of 10 GHz region. Our results provide deep insight in the nature of SiV and GeV qubits in diamond. EU FP7 DIADEMS project (Contract No. 611143).

Structural and thermal properties of LaMnO3 from neutron diffraction and first principles studies

International Nuclear Information System (INIS)

Wdowik, Urszula D; Ouladdiaf, Bachir; Chatterji, Tapan

2011-01-01

Neutron diffraction experiments have been performed on powder samples of LaMnO 3 below and above the Jahn-Teller transition temperature of 750 K. Experimental investigations are assisted by density functional theory calculations. Theoretical studies are carried out for the orbitally ordered state of LaMnO 3 which allows one to compare the behavior of the orbitally ordered and disordered structures as a function of temperature. The temperature dependences of the structural parameters characterizing the Jahn-Teller distortions are reported and discussed. A gradual departure of the experimental data from theoretical predictions is observed above 650 K. In this range of temperatures, anions surrounding the Jahn-Teller active cations perform more isotropic thermal motion. The onset of structural phase transition induces a reduction of the crystal volume by about 0.4% which follows from the structural transformations yielding more regular oxygen octahedra formed above the phase transformation. It is found that above the Jahn-Teller transition the distortions of the MnO 6 octahedra are not completely removed. The non-vanishing distortions are accompanied by the lifted degeneracy of the Mn e g states. Weak residual distortions can be assigned to the short-range orbital order that persists within a local scale but it seems quenched on average giving rise to a disappearance of the long-range order coherency of the Jahn-Teller effect.

Jahn-Teller glass formation in beta-lithium ammonium sulfate monocrystals studied by means of the electron paramagnetic resonance of Mn sup 2 sup + and Cu sup 2 sup + ions

CERN Document Server

Waplak, S

2002-01-01

The EPR (electron paramagnetic resonance) spectra of non-Jahn-Teller (JT) Mn sup 2 sup + and JT Cu sup 2 sup + ions have been studied for alpha- or beta-LAS structure modification in the temperature range of 4.2-480 K. The experimental evidence for JT glass with frozen-in random strain fields due to the presence of the JT Cu sup 2 sup + ions is presented.

Lattice Distortion Mediated Paramagnetic Relaxation in High-Spin High-Symmetry Molecular Magnets

Science.gov (United States)

Garg, Anupam

1998-08-01

Field-dependent maxima in the relaxation rate of the magnetic molecules Mn12-Ac and Fe8-tacn have commonly been ascribed to some resonant tunneling phenomena. We argue instead that the relaxation is purely due to phonons. The rate maxima arise because of a Jahn-Teller-like distortion caused by the coupling of phonons to degenerate Zeeman levels of the molecule at the top of the barrier. The binding energy of the distorted intermediate states lowers the barrier height and increases the relaxation rate. A nonperturbative calculation of this effect is carried out for a model system. An approximate result for the field variation near a maximum is found to agree reasonably with experiment.

Vibronic coupling in ionized organic molecules: structural distortions and chemical reactions

International Nuclear Information System (INIS)

Williams, Ffrancon

2003-01-01

Ionized organic molecules (radical cations) in radiation chemistry are liable to undergo vibronic coupling whenever there is a relatively small energy gap (∼0.5-1.5 eV) between their ground and excited states. As a result of this mixing, the force constant for the symmetry-allowed vibrational mode that couples these states is lowered in the ground state of the radical cation so that deformation can take place more easily along this specific mode. This pseudo-Jahn-Teller effect can then result in a permanent structural distortion of the radical cation relative to the symmetry of the parent neutral molecule. It can also bring about an energetically favored pathway for a facile chemical rearrangement along a reaction coordinate defined by the coupling mode. Examples taken from matrix-isolation studies are used to illustrate these dramatic consequences of vibronic coupling in radical cations. Thus, the bicyclo[2.2.2]oct-2-ene and tetramethylurea radical cations are found to have twisted structures departing from the C 2v symmetry of their parent molecules, while the oxirane and bicyclo[1.1.1]pentane radical cations undergo ring-opening rearrangements along reaction coordinates that correspond to the deformational modes predicted by the pseudo-Jahn-Teller effect

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

Science.gov (United States)

Peters, William K.; Tiwari, Vivek; Jonas, David M.

2017-11-01

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between

Lattice effects in La1-xCaxMnO3 (x=0→1): Relationships between distortions, charge distribution, and magnetism

International Nuclear Information System (INIS)

Booth, C.H.; Bridges, F.; Kwei, G.H.; Lawrence, J.M.; Cornelius, A.L.; Neumeier, J.J.

1998-01-01

X-ray-absorption fine-structure measurements from the Mn and La K edges of samples of La 1-x Ca x MnO 3 (x=0→1) are presented as a function of temperature. In the insulating state, distortions of the Mn-O environment are found to be linear with calcium concentration x. These distortions are consistent with a model where individual Mn 3+ sites have strong Jahn-Teller (JT) distortions while Mn 4+ sites do not, although intermediate distortions are also possible. Comparisons to simulations of various possible bond length distributions show that these distortions are best modeled as a JT distortion, as opposed to charge disproportionation or other models. In the metallic state, at least ∼70% of the distortion is removed. A similar effect is seen in the Mn-Mn bond length distribution. The La-O bond length distribution does not change significantly through the ferromagnetic transition, constraining possible changes in the Mn-O-Mn bond angle to less than 0.5 degree. The changes in the MnO 6 distortion that occur near T c are also present (to a lesser degree) in an insulating sample with x=0.12. The functional relation between the MnO 6 distortions and the magnetization is determined, and compared to transport measurements. copyright 1998 The American Physical Society

Jahn-teller domains and magnetic domains in Mn2FeO4

NARCIS (Netherlands)

Kub, J.; Brabers, V.A.M.; Novák, P.; Gemperle, R.; Simsova, J.

2000-01-01

Elastic (Jahn–Teller) domains and magnetic domains in the tetragonal spinel Mn2FeO4 were studied using X-ray double-crystal topography, X-ray diffractometry and the colloid-SEM method. The Jahn–Teller domains of the measured samples are tetragonal with the [0 0 1] c-axis alternating perpendicularly

Contribution of Jahn-Teller and charge transfer excitations to the photovoltaic effect of manganite/titanite heterojunctions

Science.gov (United States)

Ifland, Benedikt; Hoffmann, Joerg; Kressdorf, Birte; Roddatis, Vladimir; Seibt, Michael; Jooss, Christian

2017-06-01

The effect of correlation effects on photovoltaic energy conversion at manganite/titanite heterojunctions is investigated. As a model system we choose a heterostructure consisting of the small polaron absorber Pr0.66Ca0.34MnO3 (PCMO) epitaxially grown on single-crystalline Nb-doped SrTi0.998Nb0.002O3 (STNO) substrates. The high structural and chemical quality of the interfaces is proved by detailed characterization using high-resolution transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) studies. Spectrally resolved and temperature-dependent photovoltaic measurements show pronounced contributions of both the Jahn-Teller (JT) excitations and the charge transfer (CT) transitions to the photovoltaic effect at different photon energies. A linear temperature dependence of the open-circuit voltage for an excitation in the PCMO manganite is only observed below the charge-ordering temperature, indicating that the diffusion length of the photocarrier exceeds the size of the space charge region. The photovoltaic response is compared to that of a heterojunction of lightly doped Pr0.05Ca0.95MnO3 (CMO)/STNO, where the JT transition is absent. Here, significant contributions of the CT transition to the photovoltaic effect set in below the Neel temperature. We conclude that polaronic correlations and ordering effects are essentials for photovoltaic energy conversion in manganites.

Vibronic interactions proceeding from combined analytical and numerical considerations: Covalent functionalization of graphene by benzene, distortions, electronic transitions

Energy Technology Data Exchange (ETDEWEB)

Krasnenko, V.; Boltrushko, V.; Hizhnyakov, V. [Institute of Physics, University of Tartu, W. Ostwaldi Str 1, 50411 Tartu (Estonia)

2016-04-07

Chemically bound states of benzene molecules with graphene are studied both analytically and numerically. The states are formed by switching off intrabonds of π-electrons in C{sub 6} rings to interbonds. A number of different undistorted and distorted structures are established both with aligned and with transversal mutual orientation of benzene and graphene. The vibronic interactions causing distortions of bound states are found, by using a combination of analytical and numerical considerations. This allows one to determine all electronic transitions of π-electrons without explicit numerical calculations of excited states, to find the conical intersections of potentials, and to show that the mechanism of distortions is the pseudo-Jahn-Teller effect. It is found that the aligned distorted benzene molecule placed between two graphene sheets makes a chemical bond with both of them, which may be used for fastening of graphene sheets together.

An unusually strong resonant phonon scattering by 3-d impurities in II-VI semiconductors

Energy Technology Data Exchange (ETDEWEB)

Lonchakov, A.T.; Sokolov, V.I.; Gruzdev, N.B. [Institute of Metal Physics, Russian Academy of Sciences, Ural Branch, S. Kovalevskaya Str. 18, 620219 Ekaterinburg (Russian Federation)

2004-11-01

Low temperature phonon heat conductivity was measured for ZnSe and ZnS crystals, doped with 3-d impurities. A strong resonance-like phonon scattering by 3-d ions with orbitally degenerate ground state was observed. The Jahn-Teller effect is proposed as the reason of the strong resonance-like behaviour of heat conductivity. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

The Close Relationships between the Crystal Structures of MO and MSO 4 (M = Group 10, 11, or 12 Metal), and the Predicted Structures of AuO and PtSO 4

KAUST Repository

Derzsi, Mariana; Hermann, Andreas; Hoffmann, Roald; Grochala, Wojciech

2013-01-01

The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects. The collective Jahn-Teller deformations lead either to tetragonal contraction or (seldom) elongation of the rock salt lattice. On the basis of the rock salt representation of the oxides and sulfates, we show that PdO, CuO, and AgO are metrically related and that the 4d and 5d metal sulfates are close to isostructural with their oxides. These observations guide us towards as yet unknown AuO and PtSO4, for which we predict crystal structures from electronic structure calculations. The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects, as quantified by the c′/a′ ratio. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Close Relationships between the Crystal Structures of MO and MSO 4 (M = Group 10, 11, or 12 Metal), and the Predicted Structures of AuO and PtSO 4

KAUST Repository

Derzsi, Mariana

2013-08-21

The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects. The collective Jahn-Teller deformations lead either to tetragonal contraction or (seldom) elongation of the rock salt lattice. On the basis of the rock salt representation of the oxides and sulfates, we show that PdO, CuO, and AgO are metrically related and that the 4d and 5d metal sulfates are close to isostructural with their oxides. These observations guide us towards as yet unknown AuO and PtSO4, for which we predict crystal structures from electronic structure calculations. The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects, as quantified by the c′/a′ ratio. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ba ₃ (Cr _0.97(1) Te _0.03(1) ) ₂ TeO ₉ : in Search of Jahn–Teller Distorted Cr(II) Oxide

Energy Technology Data Exchange (ETDEWEB)

Li, Man-Rong; Deng, Zheng; Lapidus, Saul H.; Stephens, Peter W.; Segre, Carlo U.; Croft, Mark; Paria Sena, Robert; Hadermann, Joke; Walker, David; Greenblatt, Martha

2016-10-17

A novel 6H - type hexagonal perovskite Ba 3 (Cr 0.97(1) Te 0.03 (1 ) ) 2 TeO 9 was prepared at high pressure (6 GPa) and temperature ( 1 773 K). Both transmission electron microscopy and synchrotron powder x - ray diffraction data demonstrate that Ba 3 (Cr 0.97(1) Te 0.03(1) ) 2 TeO 9 crystallize s in P6 3 / mmc with face - shared (Cr 0.97(1) Te 0.03(1) )O 6 octahedral pairs interconnected with TeO 6 octahedra via corner - sharing. Structure analysis shows a mixed Cr 2+ /Cr 3+ valence state with ~ 10% Cr 2+ . The existence of Cr 2+ in Ba 3 (Cr 2+ 0.10(1) Cr 3+ 0.87(1) Te 6+ 0.03 ) 2 TeO 9 is further evidenced by x - ray absorption near edge spectr oscopy . Magnetic properties measurements show a paramagnetic response down to 4 K and a small glassy - state curvature at low temperature. In this work, the o ctahedral Cr 2+ O 6 component is stabilized in an oxide material for the first time ; the expected Jahn - Teller distortion of high - spin ( d 4 ) Cr 2+ is not found , which is attributed to the small proportion of Cr 2+ (~ 10%) and the face - sharing arrangement of CrO 6 octahedral pairs, that structu rally dis favor axial distortion.

Self-consistent EXAFS PDF Projection Method by Matched Correction of Fourier Filter Signal Distortion

International Nuclear Information System (INIS)

Lee, Jay Min; Yang, Dong-Seok

2007-01-01

Inverse problem solving computation was performed for solving PDF (pair distribution function) from simulated data EXAFS based on data FEFF. For a realistic comparison with experimental data, we chose a model of the first sub-shell Mn-0 pair showing the Jahn Teller distortion in crystalline LaMnO3. To restore the Fourier filtering signal distortion, involved in the first sub-shell information isolated from higher shell contents, relevant distortion matching function was computed initially from the proximity model, and iteratively from the prior-guess during consecutive regularization computation. Adaptive computation of EXAFS background correction is an issue of algorithm development, but our preliminary test was performed under the simulated background correction perfectly excluding the higher shell interference. In our numerical result, efficient convergence of iterative solution indicates a self-consistent tendency that a true PDF solution is convinced as a counterpart of genuine chi-data, provided that a background correction function is iteratively solved using an extended algorithm of MEPP (Matched EXAFS PDF Projection) under development

An EPR investigation of the dynamic Jahn-Teller effect in SrCl2:y(2 plus) and SrCl2:Sc(2 plus)

Science.gov (United States)

Herrington, J. R.; Estle, T. L.; Boatner, L. A.

1972-01-01

EPR spectra have been observed for SrCl2:Y(2+) and SrCl2:Sc(2+) at liquid helium temperatures. At 1.2 K the spectra were dominated by anisotropic hyperfine patterns whose lineshapes and angular dependences were explained using second order solutions of the effective Hamiltonian for an isolated 2Eg state split by large random internal strains. Pronounced asymmetries in some of the strin produced lineshapes for Srcl2:Sc(2+) are shown to result from second order terms in the solution of the effective Hamiltonian. Coexisting with the anisotropic hyperfine patterns are weak nearly isotropic hyperfine patterns with typical lineshapes. Variations in the apparent intensity of lines in these weak hyperfine patterns as functions of the applied magnetic field direction and temperature imply that these lines result from averaging by vibronic relaxation of a portion of the anisotropic pattern. The effective Hamiltonian parameters for SrCl2:La(2+), SrCl2:y(2+), and SrCl2:SC(2+) are analyzed in terms of crystal field theory modified to include a dynamic Jahn-Teller effect.

Novel effect of spin dynamics with suppression of charge and orbital ordering in Nd0.5Ca0.5MnO3 under the influence of ac electric field

Science.gov (United States)

Sarwar, T.; Qamar, A.; Nadeem, M.

2017-07-01

Dynamics of spin ordering in the manganite Nd0.5Ca0.5MnO3 have been investigated in this paper. It was observed that the complex mixed magnetic ordering in pellets is comprised of antiferromagnetic ordering at 160 K (TN) and complete charge ordering at 250 K (TCO). Under ac field, appearance of unstable ferromagnetic correlations is observed above TCO, which is badly frustrated due to strong spin disorder induced by Jahn Teller distortions. Impedance measurements reveal the spin glass like scenario, suppressing the strong antiferromagnetic and charge ordering states below TN.

Interplay of structural transition and superconductivity in cuprates

International Nuclear Information System (INIS)

Ghosh, Haranath; Mitra, Manidipa; Behera, S.N.; Ghatak, S.K.

1997-01-01

The presence of lattice distortion is known to suppress the superconducting (SC) transition in the cuprates. It is now accepted that electron correlation plays a dominant role in shaping the properties of these undoped and doped systems. Furthermore, since the Fermi level in these systems lies in a degenerate band of Cu : d and O : p orbitals the structural transition can be modeled as a band Jahn-Teller effect. We study the coexistence of superconductivity and band Jahn-Teller (J-T) distortion, taking into account the electron correlation within the slave boson formalism. It is shown that with increasing dopant concentration (δ), the structural transition temperature (T s ) remains constant up to a certain value and then vanishes, while the SC transition temperature (T c ) increases to a maximum value. The highest value of T c corresponds to that value of δ where T s vanishes. Besides with increasing lattice distortion superconductivity is suppressed. These findings are in qualitative agreement with the experimental results. (author)

On the nature of the phase transition in uranium dioxide

Science.gov (United States)

Gofryk, K.; Mast, D.; Antonio, D.; Shrestha, K.; Andersson, D.; Stanek, C.; Jaime, M.

Uranium dioxide (UO2) is by far the most studied actinide material as it is a primary fuel used in light water nuclear reactors. Its thermal and magnetic properties remain, however, a puzzle resulting from strong couplings between magnetism and lattice vibrations. UO2 crystalizes in the face-centered-cubic fluorite structure and is a Mott-Hubbard insulator with well-localized uranium 5 f-electrons. In addition, below 30 K, a long range antiferromagnetic ordering of the electric-quadrupole of the uranium moments is observed, forming complex non-collinear 3-k magnetic structure. This transition is accompanied by Jahn-Teller distortion of oxygen atoms. It is believed that the first order nature of the transition results from the competition between the exchange interaction and the Jahn-Teller distortion. Here we present results of our extensive thermodynamic investigations on well-characterized and oriented single crystals of UO2+x (x = 0, 0.033, 0.04, and 0.11). By focusing on the transition region under applied magnetic field we are able to study the interplay between different competing interactions (structural, magnetic, and electrical), its dynamics, and relationship to the oxygen content. We will discuss implications of these results. Work supported by the Department of Energy, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division.

Thermally assisted ordering in Mott insulators

Science.gov (United States)

Sims, Hunter; Pavarini, Eva; Koch, Erik

2017-08-01

Landau theory describes phase transitions as the competition between energy and entropy: The ordered phase has lower energy, while the disordered phase has larger entropy. When heating the system, ordering is reduced entropically until it vanishes at the critical temperature. This picture implicitly assumes that the energy difference between the ordered and disordered phases does not change with temperature. We show that for orbital ordering in the Mott insulator KCuF3, this assumption fails qualitatively: entropy plays a negligible role, while thermal expansion energetically stabilizes the orbitally ordered phase to such an extent that no phase transition is observed. To understand this strong dependence on the lattice constant, we need to take into account the Born-Mayer repulsion between the ions. It is the latter, and not the Jahn-Teller elastic energy, which determines the magnitude of the distortion. This effect will be seen in all materials where the distortion expected from the Jahn-Teller mechanism is so large that the ions would touch. Our mechanism explains not only the absence of a phase transition in KCuF3, but even suggests the possibility of an inverted transition in closed-shell systems, where the ordered phase emerges only at high temperatures.

The vibrational Jahn–Teller effect in E⊗e systems

Energy Technology Data Exchange (ETDEWEB)

Thapaliya, Bishnu P.; Dawadi, Mahesh B.; Ziegler, Christopher; Perry, David S., E-mail: dperry@uakron.edu

2015-10-16

Highlights: • The vibrational Jahn–Teller effect is documented for three E⊗e molecular systems. • The spontaneous vibrational Jahn–Teller distortion is very small. • Vibrational Jahn–Teller splittings are substantial (1–60 cm{sup −1}). • Vibrational conical intersections in CH{sub 3}OH are accessible at low energies. - Abstract: The Jahn–Teller theorem is applied in the vibrational context where degenerate high-frequency vibrational states (E) are considered as adiabatic functions of low-frequency vibrational coordinates (e). For CH{sub 3}CN and Cr(C{sub 6}H{sub 6})(CO){sub 3}, the global minimum of the non-degenerate electronic potential energy surface occurs at the C{sub 3v} geometry, but in CH{sub 3}OH, the equilibrium geometry is far from the C{sub 3v} reference geometry. In the former cases, the computed spontaneous Jahn–Teller distortion is exceptionally small. In methanol, the vibrational Jahn–Teller interaction results in the splitting of the degenerate E-type CH stretch into what have been traditionally assigned as the distinct ν{sub 2} and ν{sub 9} vibrational bands. The ab initio vibrational frequencies are fit precisely by a two-state high-order Jahn–Teller Hamiltonian (Viel and Eisfeld, 2004). The presence of vibrational conical intersections, including 7 for CH{sub 3}OH, has implications for spectroscopy, for geometric phase, and for ultrafast localized non-adiabatic energy transfer.

Specific heat of Cr-based semimagnetic semiconductors

NARCIS (Netherlands)

Twardowski, A.; Eggenkamp, P.J.T.; Mac, W.; Swagten, H.J.M.; Demianiuk, M.

1993-01-01

Specific heat of ZnCrSe and ZnCrS was measured for 1.5 Jahn-Teller distortion and spin-orbit interaction.

Eu/RG absorption and excitation spectroscopy in the solid rare gases: state dependence of crystal field splitting and Jahn-Teller coupling.

Science.gov (United States)

Byrne, Owen; McCaffrey, John G

2011-03-28

Absorption spectroscopy recorded for annealed samples of matrix-isolated atomic europium reveals a pair of thermally stable sites in Ar and Kr while a single site exists in Xe. Plots of the matrix shifts of the visible s → p bands versus host polarizability, allowed the association of the single site in Xe and the blue sites in Ar and Kr. On the basis of the similar ground state bond lengths expected for the Eu-rare gas (RG) diatomics and the known Na-RG molecules, the blue sites are attributed to Eu occupancy in the smaller tetra-vacancy while the red sites are proposed to arise from hexa-vacancy sites. Both sites are of cubic symmetry, consistent with the pronounced Jahn-Teller structure present on the y(8)P ← a(8)S(7/2) transition for these bands in the three hosts studied. Site-selective excitation spectroscopy has been used to reanalyze complex absorption spectra previously published by Jakob et al. [Phys. Lett. A 57, 67 (1976)] for the near-UV f → d transitions. On the basis that a pair of thermally stable sites exist in solid argon, the occurrence of crystal field splitting has been identified to occur for the J ≥ 5/2 level of the (8)P state when isolated in these two sites with cubic symmetry. From a detailed lineshape analysis, the magnitude of the crystal field splittings on the J = 5/2 level in Ar is found to be 105 and 123 cm(-1) for the red and blue sites, respectively.

Gamow-Teller matrix elements from 00 ( p,n) cross section

International Nuclear Information System (INIS)

Goodman, C.D.; Goulding, C.A.; Greenfield, M.B.; Rapaport, J.; Bainum, D.E.; Foster, C.C.; Love, W.G.; Petrovich, F.

1980-01-01

After simple corrections for distortion effects, 120-MeV, 0 0 (p,n) cross sections are found to be proportional to the squares of the corresponding Fermi and Gamow-Teller matrix elements extracted from β-decay measurements. It is suggested that this proportionality can be used to extract Gamow-Teller matrix elements for transitions inaccessible to β decay

Off-centre dynamic Jahn-Teller effect studied by electron spin relaxation of Cu2+ ions in SrF2 crystal

International Nuclear Information System (INIS)

Hoffmann, S.K.

2000-01-01

Temperature cw-EPR and pulsed EPR electron spin echo experiments were performed for a low concentration of Cu 2+ ions in cubic SrF 2 crystals. The well resolved EPR spectrum at low temperatures (below 30 K) with parameters g parallel = 2.493, g perpendicular = 2.083, A parallel = 121, A perpendicular = 8.7, A parallel ( 19 F) = 135, A parallel ( 19 F) = 33.0 (A-values in 10 -4 cm -1 ) is transformed continuously into a single broad line above 225 K on heating, due to the g-factor shift and EPR line broadening. These data along with the angular variation EPR data are described in terms of a pseudo-Jahn-Teller effect of (T 2g +A 2u )x(a 1g +e g +t 1u ) type producing six off-centre positions of the Cu 2+ ion in the fluorine cube. Above 30 K a two-step averaging g -factor process occurs and is governed by vibronic dynamics between potential wells of the off-centre positions. This dynamics governs the electron spin relaxation in the whole temperature range. The electron spin-lattice relaxation rate 1/T 1 grows rapidly by six orders of magnitude in the temperature range 30-100 K and is determined by the Orbach-type process with excitations to two excited vibronic levels of energy 83 and 174 cm -1 . For higher temperatures the relaxation is dominated by overbarrier jumps leading to the isotropic EPR spectrum above 225 K. The phase memory time T M has the rigid lattice value 3.5 μs determined by nuclear spectral diffusion and its temperature variation is governed by the vibronic dynamics indicating that the excitations between vibronic levels produce a dephasing of the electron spin precessional motion. (author)

Analogy Between Particle in a Box and Jahn–Teller Effect

Indian Academy of Sciences (India)

IAS Admin

Solving the SchrÄodinger equation, the allowed energy levels of the particle are given .... to slight distortion of the cube. Using (3), the new energy of ... ARTICLE. The Jahn–Teller theorem states that in a nonlinear molecule, if degenerate orbitals are asymmetrically occupied a distortion will occur to remove the degeneracy.

THE SYMMETRY BREAKING PHENOMENON IN 1,2,3-TRIOXOLENE AND C2Y3Z2 (Z= O, S, Se, Te, Z= H, F COMPOUNDS: A PSEUDO JAHN-TELLER ORIGIN STUDY

Directory of Open Access Journals (Sweden)

Ali Reza Ilkhani

Full Text Available 1,2,3-Trioxolene (C2O3H2 is an intermediate in the acetylene ozonolysis reaction which is called primary ozonide intermediate. The symmetry breaking phenomenon were studied in C2O3H2 and six its derivatives then oxygen atoms of the molecule are substituted by sulphur, selenium, tellurium (C2Y3H2 and hydrogen ligands are replaced with fluorine atoms (C2Y3F2. Based on calculation results, all seven C2Y3Z2 considered in the series were puckered from unstable planar configuration with C2v symmetry to a Cs symmetry stable geometry. The vibronic coupling interaction between the 1A1 ground state and the first excited state 1B1 via the (1A1+1B1 ⊗b1 pseudo Jahn-Teller effect problem is the reason of the breaking symmetry phenomenon and un-planarity of the C2Y3 ring in the C2Y3Z2 series.

Colossal magnetoresistance manganites

Indian Academy of Sciences (India)

Keywords. Manganites; colossal magnetoresistance; strongly correlated electron systems; metal-insulator transitions and other electronic transitions; Jahn-Teller polarons and electron-phonon interaction.

Hexagonal perovskites with cationic vacancies. 14. The rhombohedral 12 L-stacking polytypes Ba/sub 2/La/sub 2/Bsup(II)(W/sub 2/sup(VI)vacantO/sub 12/)

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-02-01

Rhombohedral 12 L-stacking polytypes with cationic vacancies of type Ba/sub 2/La/sub 2/Bsup(II)(W/sub 2/sup(VI)vacantO/sub 12/) are reported for Bsup(II) = Mg, Zn (white), Ni (light brown) and Co (brown). For Bsup(II) = Cu, as a consequence of the Jahn Teller effect, a triclinic distorted lattice is observed.

Intrinsic Local Distortions and charge carrier behavior in CMR manganites and cobaltites

Science.gov (United States)

Bridges, Frank

2010-03-01

We compare and contrast the local structure and electronic configurations in two oxide systems La1-xSrxCoO3 (LSCO) and La1-yCayMnO3 (LCMO). Although these oxides may appear quite similar they have rather different properties. At x=0, LaCoO3 (LCO) has unusual magnetic properties - diamagnetic at low T but developing a moment near 100K. The Sr doped LSCO materials show ferromagnetism for x > 0.2. For LCO, one of the possible spin state configurations called the intermediate spin (IS) state (S=1), should be Jahn-Teller (JT) active, while the low spin (S=0) and high spin (S=2) states have no JT distortion. Early local structure measurements suggested a JT distortion was present in LCO and therefore supported an IS spin model. However we find no evidence for any significant JT distortion (and hence no support for the IS model) for a range of bulk and nanoparticle cobaltites La1-xSrxCoO3, x = 0 - 0.35. In contrast there are large JT distortions in the manganites LCMO, 0.2 K-edge XANES data that shown no significant shift of the edge for the cobaltites as the Sr concentration increases from x =0 to 0.35 indicating essentially no change in the electronic configuration about Co; consequently, the holes introduced via Sr doping appear to go primarily into the O bands. In contrast there is a large shift of the Mn K-edge with Ca doping indicating a change in the average Mn valence, and a corresponding change in the Mn electronic configuration. We briefly discuss some possible models.

Optical detection of magnetic resonance of the F-centre in CaO in its phosphorescent state

International Nuclear Information System (INIS)

Krap, C.J.

1980-01-01

The F-centre in CaO consists of two electrons trapped in an oxygen vacancy. The centre possesses bound excited states, of which the phosphorescent 3 Tsub(1u) state is a Jahn-Teller state. Jahn-Teller systems have been of interest in many investigations. However, detailed experimental studies about the relaxation paths for the Jahn-Teller states are relatively few. The author studies by means of optical detection of magnetic resonance (ODMR) and phosphorescence microwave double resonance (PMDR) techniques the relaxation between the components of the 3 Tsub(1u) state, the magnetic properties of the individual spin-vibronic Jahn-Teller states and the inhomogeneous line broadening in the ODMR and PMDR spectra. (Auth.)

Superposition model analysis of nickel(II) ions in trigonal bipyramidal complexes exhibiting huge zero field splitting (aka ‘giant magnetic anisotropy’)

Energy Technology Data Exchange (ETDEWEB)

Rudowicz, Czesław, E-mail: crudowicz@zut.edu.pl [Faculty of Chemistry, A. Mickiewicz University, 61-614 Poznań (Poland); Institute of Physics, West Pomeranian University of Technology, Szczecin (Poland); Açıkgöz, Muhammed [Department of Chemistry, Rutgers University, Newark, New Jersey 07102 (United States); Gnutek, Paweł [Institute of Physics, West Pomeranian University of Technology, Szczecin (Poland)

2017-07-15

Graphical abstract: Using crystal structure data for [Ni(Me{sub 6}tren)Cl](ClO{sub 4}) and [Ni(Me{sub 6}tren)Br](Br) as well as taking into account the Jahn-Teller distortions of five-fold coordinated Ni-complexes revealed by DFT geometry optimization, the ZFSPs are predicted for several structural models and wide ranges of model parameters. - Highlights: • Semiempirical study of potential SMM [Ni(Me{sub 6}tren)Cl](ClO{sub 4}) and [Ni(Me{sub 6}tren)Br](Br). • Superposition model analysis of zero field splitting (ZFS) parameters carried out. • Jahn-Teller distortions revealed by DFT geometry optimization considered. • SPM predicts D(ZFS) of observed magnitudes with positive or negative signs. • Results corroborate giant ZFS, which shall not be equated with magnetic anisotropy. - Abstract: Potential single-ion magnet Ni{sup 2+} systems: [Ni(Me{sub 6}tren)Cl](ClO{sub 4}) and [Ni(Me{sub 6}tren)Br](Br) reveal unusually high zero field splitting (ZFS). The ZFS parameter (ZFSP) D{sub expt} = −120 to −180 cm{sup −1} was determined indirectly by high-magnetic field, high-frequency electron magnetic resonance (HMF-EMR). Modeling ZFSPs using the density functional theory (DFT) codes predicts D values: −100 to −200 cm{sup −1}. Such ZFSP values may seem controversial in view of the D values usually not exceeding several tens of cm{sup −1} for Ni{sup 2+} ions. To corroborate or otherwise these results and elucidate the origin of the huge ZFS (named inappropriately as ‘giant uniaxial magnetic anisotropy’) and respective wavefunctions, we have undertaken semiempirical modeling based on the crystal field (CF) and spin Hamiltonians (SH) theory. In this paper, a feasibility study is carried out to ascertain if superposition model (SPM) calculations may yield such huge D values for these Ni{sup 2+} systems. Using crystal structure data for [Ni(Me{sub 6}tren)Cl](ClO{sub 4}) and [Ni(Me{sub 6}tren)Br](Br) as well as taking into account the Jahn-Teller

Phase separation in strongly correlated electron systems with two types of charge carriers

International Nuclear Information System (INIS)

Kugel, K.I.; Rakhmanov, A.L.; Sboychakov, A.O.

2007-01-01

Full text: A competition between the localization of the charge carriers due to Jahn-Teller distortions and the energy gain due to their delocalization in doped manganite and related magnetic oxides is analyzed based on a Kondo-lattice type model. The resulting effective Hamiltonian is, in fact, a generalization of the Falicov-Kimball model. We find that the number of itinerant charge carriers can be significantly lower than that implied by the doping level x. The phase diagram of the model in the T plane is constructed. The system exhibits magnetic ordered (antiferromagnetic, ferromagnetic, or canted) states as well the paramagnetic states with zero and nonzero density of the itinerant electrons. It is shown that a phase-separation is favorable in energy for a wide doping range. The characteristic size of inhomogeneities in a phase-separated state is of the order of several lattice constants. We also analyzed the two-band Hubbard model in the limit of strong on-site Coulomb repulsion. It was shown that such a system has a tendency to phase separation into the regions with different charge densities even in the absence of magnetic or any other ordering, if the ratio of the bandwidths is large enough. The work was supported by the European project CoMePhS and by the Russian Foundation for Basic Research, project no. 05-02-17600. (authors)

The analysis of strain of giant magnetoresistive Pr0.7Sr0.3MnO3/La0.5Ca0.5MnO3/Pr0.7Sr0.3MnO-3 trilayers

International Nuclear Information System (INIS)

Wang Haiou; Liu Hao; Dai Ping; Tan Weishi; Wu Xiaoshan; Jia Quanjie; Li Xiaolong

2012-01-01

Pr 0.7 Sr 0.3 MnO 3 /La 0.5 Ca 0.5 MnO 3 /Pr 0.7 Sr 0.3 MnO 3 (PSMO/LCMO/PSMO) trilayers were deposited on (001)-oriented single crystal MgO by pulsed laser deposition. The thickness of both PSMO layers was 36 nm while the thickness of LCMO layer was 6, 12, 18, 24, 30 and 36 nm, respectively. Out-of-plane and in-plane lattice parameters of trilayers were obtained by using symmetric scanning and asymmetric scanning mode of high resolution X-ray diffraction. Strain states of trilayers have been studied. The results showed that strain relaxation states of trilayers were decided by bulk strain and Jahn-Teller (JT) strain together: The mechanism for strain relaxation in trilayers is different from that for tetragonal distortion. The competition between bulk strain and Jahn-Teller (JT) strain played an important role in the magnetotransport and magnetic properties of trilayers. (authors)

A2TiF5.nH2O (A=K, Rb, or Cs; n=0 or 1): Synthesis, structure, characterization, and calculations of three new uni-dimensional titanium fluorides

International Nuclear Information System (INIS)

Jo, Vinna; Woo Lee, Dong; Koo, Hyun-Joo; Ok, Kang Min

2011-01-01

Three new uni-dimensional alkali metal titanium fluoride materials, A 2 TiF 5 .nH 2 O (A=K, Rb, or Cs; n=0 or 1) have been synthesized by hydrothermal reactions. The structures of A 2 TiF 5 .nH 2 O have been determined by single-crystal X-ray diffraction. The Ti 4+ cations have been reduced to Ti 3+ during the synthesis reactions. All three A 2 TiF 5 .nH 2 O materials contain novel 1-D chain structures that are composed of the slightly distorted Ti 3+ F 6 corner-sharing octahedra attributable to the Jahn-Teller distortion. The coordination environment of the alkali metal cations plays an important role to determine the degree of turning in the chain structures. Complete structural analyses, Infrared and UV-vis diffuse reflectance spectra, and thermal analyses are presented, as are electronic structure calculations. -- Graphical abstract: Ball-and-stick and polyhedral representations for (a) β-K 2 TiF 5 and (b) Rb 2 TiF 5 .H 2 O or Cs 2 TiF 5 .H 2 O with the K + and Rb + (or Cs + ) coordination environment emphasized. Display Omitted Research highlights: → Synthesis, structure, characterization, and calculation of new titanium fluorides. → Study of reduction of starting Ti 4+ cations to Ti 3+ by DMF. → Novel 1-D chain structures with Jahn-Teller distorted TiF 6 octahedra.

Electronic and geometric structures of Ge{sub n}{sup -} and Ge{sub n}{sup +} (n=5-10) clusters in comparison with corresponding Si{sub n} ions

Energy Technology Data Exchange (ETDEWEB)

Li Baoxing; Cao Peilin; Song Bin; Ye Zhezhen

2003-02-10

Using full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have studied the geometric and electronic structures of ionic Ge{sub 5-10} clusters. Our calculations show that the ground state structures of some Ge cluster ions are different from those of their corresponding neutral Ge clusters. Furthermore, the positive Ge ions have more severe structural distortion than the negative Ge ions due to Jahn-Teller distortion. In addition, there are differences between the ground state structures of Ge ions and Si ions, although most of the Ge ions have similar geometrical configurations to their corresponding Si ions.

Pseudo Jahn–Teller distortion for a tricyclic carbon sulfide (C{sub 6}S{sub 8}) and its suppression in S-oxygenated dithiine (C{sub 4}H{sub 4}(SO{sub 2}){sub 2})

Energy Technology Data Exchange (ETDEWEB)

Pratik, Saied Md.; Chowdhury, Chandra; Bhattacharjee, Rameswar; Jahiruddin, Sk.; Datta, Ayan, E-mail: spad@iacs.res.in

2015-10-16

Highlights: • DFT calculations show that sulfur rich cyclic molecules are generally distorted. • Such distortions are shown to arise from Pseudo Jahn–Teller (PJT) effects. • Low OMO–UMO gaps leads to strong vibronic instability for these systems. • Increasing the OMO–UMO gaps by substituting electronegative groups on the cyclic rings decreases PJT effects. • Suppressed PJT instability lead to planar sulfur rich cyclic molecules. - Abstract: The tricyclic carbon-sulfide, C{sub 6}S{sub 8} molecule containing two S-atoms in the 1,4-position of the central six-membered ring and one disulfide (S−S) and one thione (C=S) bond on the five membered rings on its either side (1) possesses a “butterfly flapping” type distorted ground state in the gas-phase and also in β-phase of the crystal. For the isolated molecule, better consideration of the S…S non-bonding interactions in the dithiine ring in the bent form at the M06-2X/6-31+G(d,p) level leads to a significant barrier for inversion of 2.4 kcal/mol which is 2–3 times more than that previously obtained by Weber and Dolg at the B3LYP/cc-pVTZ level due to underestimation of dispersion interactions at the B3LYP level. The origin of the distortion leading to lowering of symmetry for 1 (C{sub 2h} → C{sub 2}) is traced to vibronic mixing between the ground state (Ag) and the low lying excited states of A{sub u} symmetry through the a{sub u} normal mode, a (1A{sub g} + 1A{sub u} + 2A{sub u} + 3A{sub u}) × a{sub u} pseudo Jahn–Teller effect (PJTE) problem. Based on fitting of the ground state APES to the lowest root of the 4 × 4 secular determinant, we calculate the linear vibronic coupling constants (F{sub 0i}) between the relevant states. Similar in class to 1, the S-oxygenated derivative of dithiine, C{sub 4}H{sub 4}(SO{sub 2}){sub 2} (2) unlike most other dithiines, remains planar. The absence of the butterfly-type puckered structure in 2 is traced to the enhanced gap (Δ{sub 0}) and very small

First principle calculations of charge ordering in manganites

International Nuclear Information System (INIS)

Baldomir, D.; Pardo, V.; Castro, J.; Iglesias, M.; Arias, J.E.; Rivas, J.

2007-01-01

Electronic structure calculations were performed on the compound La 0.5 Ca 0.5 MnO 3 to study the relationship between the magnetic ordering, the charge ordering and the geometry of the compound. Charge ordering is intimately related to the magnetic ordering. An antiferromagnetic ordering induces charge disproportionation via a Jahn-Teller distortion. A full disproportionation in Mn 3+ /Mn 4+ occurs for the experimental geometry and allows to predict the experimentally found antiferromagnetic insulating state

Aggregate frequency width, nuclear hyperfine coupling and Jahn-Teller effect of Cu2+ impurity ion ESR in SrLaAlO4 dielectric resonator at 20 millikelvin

Science.gov (United States)

Hosain, M. A.; Le Floch, J.-M.; Krupka, J.; Tobar, M. E.

2018-01-01

The impurity paramagnetic ion, Cu2+ substitutes Al in the SrLaAlO4 single crystal lattice, this results in a CuO6 elongated octahedron, and the resulting measured g-factors satisfy four-fold axes variation condition. The aggregate frequency width of the electron spin resonance with the required minimum level of impurity concentration has been evaluated in this single crystal SrLaAlO4 at 20 millikelvin. Measured parallel hyperfine constants, A\\Vert Cu , were determined to be -155.7×10-4~cm-1, ~ -163.0×10-4~cm-1, ~ -178.3×10-4~cm-1 and -211.1×10-4~cm-1 at 9.072~GHz~(WGH4, 1, 1) for the nuclear magnetic quantum number M_I=+\\frac{3}{2}, +\\frac{1}{2}, -\\frac{1}{2} , and -\\frac{3}{2} respectively. The anisotropy of the hyperfine structure reveals the characteristics of the static Jahn-Teller effect. The second-order-anisotropy term, ˜ (\\fracspin{-orbit~coupling}{10D_q}){\\hspace{0pt}}2 , is significant and cannot be disregarded, with the local strain dominating over the observed Zeeman-anisotropy-energy difference. The Bohr electron magneton, β=9.23× 10-24 JT-1 , (within -0.43% so-called experimental error) has been found using the measured spin-Hamiltonian parameters. Measured nuclear dipolar hyperfine structure parameter P\\Vert=12.3×10-4~cm-1 shows that the mean inverse third power of the electron distance from the nucleus is ≃ 5.23 a.u. for Cu2+ ion in the substituted Al3+ ion site assuming nuclear electric quadruple moment Q=-0.211 barn.

New quaternary oxides with both families of second-order Jahn–Teller (SOJT) distortive cations: Solid-state synthesis, structure determination, and characterization of YNbTe{sub 2}O{sub 8} and YNbSe{sub 2}O{sub 8}

Energy Technology Data Exchange (ETDEWEB)

Kim, Yeong Hun [Department of Chemistry, Chung-Ang University, 84 Heukseok-ro, Dongjak-gu, Seoul 156-756 (Korea, Republic of); Jeon, Beom-Yong; You, Tae-Soo [Department of Chemistry, Chungbuk National University, Cheongju, Chungbuk 361-763 (Korea, Republic of); Ok, Kang Min, E-mail: kmok@cau.ac.kr [Department of Chemistry, Chung-Ang University, 84 Heukseok-ro, Dongjak-gu, Seoul 156-756 (Korea, Republic of)

2015-07-15

Graphical abstract: Ball-and-stick representation of YNbTe{sub 2}O{sub 8} composed of polyhedra of SOJT distortive cations, i.e., NbO{sub 6} and TeO{sub 3}, in the ac-plane. - Highlights: • Two novel tellurite and selenite (YNbQ{sub 2}O{sub 8}; Q = Te and Se) are synthesized. • YNbQ{sub 2}O{sub 8} possess both families of second-order Jahn–Teller distortive cations. • The distortive environments and bonding nature are supported by electronic structure calculations. - Abstract: Two novel quaternary mixed metal tellurite and selenite, YNbTe{sub 2}O{sub 8} and YNbSe{sub 2}O{sub 8}, respectively, have been synthesized through standard solid-state reactions using Y{sub 2}O{sub 3}, Nb{sub 2}O{sub 5}, TeO{sub 2} or SeO{sub 2} as reagents. Single crystal X-ray and powder neutron diffraction analyses have been utilized to determine the structures of the reported materials. YNbTe{sub 2}O{sub 8} and YNbSe{sub 2}O{sub 8} are isostructural to each other and crystallize in the monoclinic centrosymmetric space group, C2/m (No. 12). Due to the two families of constituent second-order Jahn–Teller (SOJT) distortive cations, i.e., Nb{sup 5+} and Te{sup 4+}/Se{sup 4+}, local asymmetric environments occur from the three-dimensional frameworks. Intra-octahedral distortions along the local C{sub 4} direction and asymmetric trigonal pyramidal coordination moieties generated by stereoactive lone pairs are observed from the NbO{sub 6} octahedra and TeO{sub 3} (or SeO{sub 3}) polyhedra, respectively. Thermogravimetric analysis, infrared and UV–vis diffuse reflectance spectroscopies, elemental analysis, out-of-center distortions, dipole moment calculations, and electronic structure calculations for the reported materials are presented.

Photophysics of trioxatriangulenium ion. Electrophilic reactivity in the ground state and excited singlet state

DEFF Research Database (Denmark)

Reynisson, J.; Wilbrandt, R.; Brinck, V.

2002-01-01

. The physical and chemical properties of the excited singlet state of the trioxatriangulenium (TOTA(+)) carbenium ion are investigated by experimental and Computational means. The degeneracy of the lowest excited states is counteracted by Jahn-Teller-type distortion, which leads to vibronic broadening...... of the long wavelength absorption band. A strong fluorescence is observed at 520 nm (tau(n) = 14.6 ns, phi(n) = 0.12 in deaerated acetonitrile). The fluorescence is quenched by 10 aromatic electron donors predominantly via a dynamic charge transfer mechanism, but ground state complexation is shown...... triphenylenes is studied separately. Phosphorescence spectra, triplet lifetimes, and triplet-triplet absorption spectra are provided. In the discussion, TOTA(+) is compared to the unsubstituted xanthenium ion and its 9-phenyl derivative with respect to the excited state properties....

The strength of electron electron correlation in Cs3C60

Science.gov (United States)

Baldassarre, L.; Perucchi, A.; Mitrano, M.; Nicoletti, D.; Marini, C.; Pontiroli, D.; Mazzani, M.; Aramini, M.; Riccó, M.; Giovannetti, G.; Capone, M.; Lupi, S.

2015-10-01

Cs3C60 is an antiferromagnetic insulator that under pressure (P) becomes metallic and superconducting below Tc = 38 K. The superconducting dome present in the T - P phase diagram close to a magnetic state reminds what found in superconducting cuprates and pnictides, strongly suggesting that superconductivity is not of the conventional Bardeen-Cooper-Schrieffer (BCS) type We investigate the insulator to metal transition induced by pressure in Cs3C60 by means of infrared spectroscopy supplemented by Dynamical Mean-Field Theory calculations. The insulating compound is driven towards a metallic-like behaviour, while strong correlations survive in the investigated pressure range. The metallization process is accompanied by an enhancement of the Jahn-Teller effect. This shows that electronic correlations are crucial in determining the insulating behaviour at ambient pressure and the bad metallic nature for increasing pressure. On the other hand, the relevance of the Jahn-Teller coupling in the metallic state confirms that phonon coupling survives in the presence of strong correlations.

Spectroscopic characterization of some Cu(II) complexes

International Nuclear Information System (INIS)

Singh, Puja; Sharma, S.

2014-01-01

3-hydroxy-4-methoxy benzaldehyde semicarbazone (HMBS) is a biologically active compound which has several potential donor sites. This compound has been used for complexation with Cu(II) ions to synthesize complexes of general formula [Cu(HMBS) 2 X 2 ] where X is Cl − , NO 3 − and CH 3 COO − . Cu(II) is a d 9 system for which 2 D term is generated. Under O h symmetry, this term splits into 2 E g and 2 T 2g . the ground term 2 Eg is doubly degenerate and hence suffers strong Jahn-Teller effect and accordingly the further splitting of terms occur to lower the symmetry from perfect O h . Here, the ligand occupies four planar positions while the two axial positions have been varied by using different ions like Cl − , NO 3 − and CH 3 COO − . These variations on the axial positions also add to the distortion in O h symmetry. Under strong distortion, the electronic spectral band splits into multiplets exhibiting tetragonal distortion in complexes. The extent of distortion has been derived by the derivation of the two radial parameters D s and D t from electronic spectral bands. The ESR spectra of complexes reveal the real position of the only unpaired electron of the d 9 system in complexes

Cu cluster shell structure at elevated temperatures

DEFF Research Database (Denmark)

Christensen, Ole Bøssing; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet

1991-01-01

Equilibrium structures of small (3–29)-atom Cu clusters are determined by simulated annealing, and finite-temperature ensembles are simulated by Monte Carlo techniques using the effective-medium theory for the energy calculation. Clusters with 8, 18, and 20 atoms are found to be particularly stable....... The equilibrium geometrical structures are determined and found to be determined by a Jahn-Teller distortion, which is found to affect the geometry also at high temperatures. The ‘‘magic’’ clusters retain their large stability even at elevated temperatures....

Symmetrical analysis of the defect level splitting in two-dimensional photonic crystals

International Nuclear Information System (INIS)

Malkova, N; Kim, S; Gopalan, V

2003-01-01

In this paper doubly degenerate defect states in the band gap of the two-dimensional photonic crystal are studied. These states can be split by a convenient distortion of the lattice. Through analogy with the Jahn-Teller effect in solids, we present a group theoretical analysis of the lifting of the degeneracy of doubly degenerate states in a square lattice by different vibronic modes. The effect is supported by the supercell plane-wave model and by the finite difference time domain technique. We suggest ways for using the effect in photonic switching devices and waveguides

A tight binding model study of tunneling conductance spectra of spin and orbitally ordered CMR manganites

Science.gov (United States)

Panda, Saswati; Sahoo, D. D.; Rout, G. C.

2018-04-01

We report here a tight binding model for colossal magnetoresistive (CMR) manganites to study the pseudo gap (PG) behavior near Fermi level. In the Kubo-Ohata type DE model, we consider first and second nearest neighbor interactions for transverse spin fluctuations in core band and hopping integrals in conduction band, in the presence of static band Jahn-Teller distortion. The model Hamiltonian is solved using Zubarev's Green's function technique. The electron density of states (DOS) is found out from the Green's functions. We observe clear PG near Fermi level in the electron DOS.

High-pressure phase of the cubic spinel NiMn2O4

DEFF Research Database (Denmark)

Åsbrink, S.; Waskowska, A.; Olsen, J. Staun

1998-01-01

experimental uncertainty, there is no volume change at the transition. The cia ratio of the tetragonal spinel is almost independent of pressure and equal to 0.91. The phase transition is attributed to the Jahn-Teller-type distortion and the ionic configurationcan be assumed as (Mn3+)(tetr)[Ni2+Mn3+](oct......It has been observed that the fee spinel NiMn2O4 transforms to a tetragonal structure at about 12 GPa. The tetragonal phase does not revert to the cubic phase upon decompression and its unit-cell constants at ambient pressure are a(0)=8.65(8) and c(0)=7.88(15) Angstrom (distorted fee). Within thr......). The bulk modulus of the cubic phase is 206(4) GPa....

Effects of hydrostatic pressure and temperature on the electron paramagnetic resonance spectrum of off-centre Jahn-Teller [CuF sub 4 F sub 4] sup 6 sup - complexes in SrF sub 2 crystal

CERN Document Server

Ulanov, V A; Hoffmann, S K; Zaripov, M M

2003-01-01

Pressure and temperature variations of the spin-Hamiltonian parameters and electron paramagnetic resonance (EPR) linewidths of non-central Jahn-Teller [CuF sub 4 F sub 4] sup 6 sup - complexes in SrF sub 2 crystal were studied by continuous-wave EPR. It was found that the static spin-Hamiltonian parameters, found at T = 85 K and at normal pressure (g sub | sub | = 2.491, g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 2.083, a sub p sub a sub r sub a sub l sub l sub e sub l = 360, a sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 26, A sub x sub ' sub ' = 96, A sub y sub ' sub ' = 99, A sub z sub ' sub ' = 403 and beta sub e sub x sub p = 17 diameter), are slightly changed with hydrostatic pressure and, at T = 85 K and P = 550 MPa, become equal to g sub | sub | = 2.489, g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 2.083, a sub | sub | 348, a sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l s...

New perovskite-based manganite Pb2Mn2O5

International Nuclear Information System (INIS)

Hadermann, Joke; Abakumov, Artem M.; Perkisas, Tyche; D'Hondt, Hans; Tan Haiyan; Verbeeck, Johan; Filonenko, Vladimir P.; Antipov, Evgeny V.; Van Tendeloo, Gustaaf

2010-01-01

A new perovskite based compound Pb 2 Mn 2 O 5 has been synthesized using a high pressure high temperature technique. The structure model of Pb 2 Mn 2 O 5 is proposed based on electron diffraction, high angle annular dark field scanning transmission electron microscopy and high resolution transmission electron microscopy. The compound crystallizes in an orthorhombic unit cell with parameters a=5.736(1) A∼√2a p , b=3.800(1) A∼a p , c=21.562(6) A∼4√2a p (a p -the parameter of the perovskite subcell) and space group Pnma. The Pb 2 Mn 2 O 5 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110] p (101) p crystallographic shear planes. The blocks are connected to each other by chains of edge-sharing MnO 5 distorted tetragonal pyramids. The chains of MnO 5 pyramids and the MnO 6 octahedra of the perovskite blocks delimit six-sided tunnels accommodating double chains of Pb atoms. The tunnels and pyramidal chains adopt two mirror-related configurations ('left' L and 'right' R) and layers consisting of chains and tunnels of the same configuration alternate in the structure according to an -L-R-L-R-sequence. The sequence is sometimes locally violated by the appearance of -L-L- or -R-R-fragments. A scheme is proposed with a Jahn-Teller distortion of the MnO 6 octahedra with two long and two short bonds lying in the a-c plane, along two perpendicular orientations within this plane, forming a d-type pattern. - Graphical abstract: Order of the Jahn-Teller distorted MnO 6 octahedra in Pb 2 Mn 2 O 5 . Two long and two short bonds lie in the a-c plane, along two perpendicular orientations within this plane, forming a d-type pattern.

Tensile Strain Effects on the Magneto-transport in Calcium Manganese Oxide Thin Films: Comparison with its Hole-doped Counterpart

Science.gov (United States)

Lawson, Bridget; Neubauer, Samuel; Chaudhry, Adeel; Hart, Cacie; Ferrone, Natalie; Houston, David; Yong, Grace; Kolagani, Rajeswari

Magnetoresistance properties of the epitaxial thin films of doped rare earth manganites are known to be influenced by the effect of bi-axial strain induced by lattice mismatch with the substrate. In hole-doped manganites, the effect of both compressive and tensile strain is qualitatively consistent with the expected changes in unit cell symmetry from cubic to tetragonal, leading to Jahn-Teller strain fields that affect the energy levels of Mn3 + energy levels. Recent work in our laboratory on CaMnO3 thin films has pointed out that tetragonal distortions introduced by tensile lattice mismatch strain may also have the effect of modulating the oxygen content of the films in agreement with theoretical models that propose such coupling between strain and oxygen content. Our research focuses on comparing the magneto-transport properties of hole-doped manganite LaCaMnO3 thin films with that of its electron doped counter parts, in an effort to delineate the effects of oxygen stoichiometry changes on magneto-transport from the effects of Jahn-Teller type strain. Towson University Office of Undergraduate Research, Fisher Endowment Grant and Undergraduate Research Grant from the Fisher College of Science and Mathematics, Seed Funding Grant from the School of Emerging technologies and the NSF Grant ECCS 112856.

Edward Teller Biographical Memoir

Energy Technology Data Exchange (ETDEWEB)

Libby, S B; Sessler, A M

2009-07-27

Edward Teller died on September 9, 2003 in Stanford, California at the age of 95. He was both one of the great theoretical physicists of the twentieth century and a leading figure in the development of nuclear weapons and broader defense advocacy. Teller's work in physics, spanning many decades of the twentieth century, includes some of the most fundamental insights in the quantum behaviors of molecules and their spectra, nuclei, surfaces, solid state and spin systems, and plasmas. In the defense arena, Teller is best known for his key insight that made thermonuclear weapons possible. Teller was both a great scientific collaborator and physics teacher at all levels, known for his openness, generosity, personal warmth, and powerful physical intuition. Many of his graduate students went on to illustrious careers.

Electron spin transition causing structure transformations of earth's interiors under high pressure

Science.gov (United States)

Yamanaka, T.; Kyono, A.; Kharlamova, S.; Alp, E.; Bi, W.; Mao, H.

2012-12-01

To elucidate the correlation between structure transitions and spin state is one of the crucial problems for understanding the geophysical properties of earth interiors under high pressure. High-pressure studies of iron bearing spinels attract extensive attention in order to understand strong electronic correlation such as the charge transfer, electron hopping, electron high-low spin transition, Jahn-Teller distortion and charge disproponation in the lower mantle or subduction zone [1]. Experiment Structure transitions of Fe3-xSixO4, Fe3-xTixO4 Fe3-xCrxO4 spinel solid solution have been investigated at high pressure up to 60 GPa by single crystal and powder diffraction studies using synchrotron radiation with diamond anvil cell. X-ray emission experiment (XES) at high pressure proved the spin transition of Fe-Kβ from high spin (HS) to intermediate spin state (IS) or low spin state (LS). Mössbauer experiment and Raman spectra study have been also conducted for deformation analysis of Fe site and confirmation of the configuration change of Fe atoms. Jahn-Teller effect A cubic-to-tetragonal transition under pressure was induced by Jahn-Teller effect of IVFe2+ (3d6) in the tetrahedral site of Fe2TiO4 and FeCr2O4, providing the transformation from 43m (Td) to 42m (D2d). Tetragonal phase is formed by the degeneracy of e orbital of Fe2+ ion. Their c/a ratios are c/adisordered in the M2 site. At pressures above 53 GPa, Fe2TiO4 structure further transforms to Pmma. This structure change results in the order-disorder transition [2]. New structure of Fe2SiO4 The spin transition exerts an influence to Fe2SiO4 spinel structure and triggers two distinct curves of the lattice constant in the spinel phase. The reversible structure transition from cubic to pseudo-rhombohedral phase was observed at about 45 GPa. This transition is induced by the 20% shrinkage of ionic radius of VIFe2+at the low sin state. Laser heating experiment at 1500 K has confirmed the decomposition from the

Novel effect of spin dynamics with suppression of charge and orbital ordering in Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} under the influence of ac electric field

Energy Technology Data Exchange (ETDEWEB)

Sarwar, T., E-mail: sarwartuba@gmail.com [EMMG, Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan); Qamar, A., E-mail: afzaal.qamar@griffithuni.edu.au [Queensland Micro-Nanotechnology Centre, Griffith University, Nathan, QLD 4111 (Australia); Nadeem, M. [EMMG, Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan)

2017-07-15

Highlights: • Electronic & magnetic behavior of Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} is explored using impedance spectroscopy. • Under ac field, possible signature of suppression of robust CO/OO antiferromagnetism is studied. • We propose the existence of spin glass state at low temperature. • A novel tactic is used to estimate the existence of weak ferromagnetism at high temperature. - Abstract: Dynamics of spin ordering in the manganite Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} have been investigated in this paper. It was observed that the complex mixed magnetic ordering in pellets is comprised of antiferromagnetic ordering at 160 K (T{sub N}) and complete charge ordering at 250 K (T{sub CO}). Under ac field, appearance of unstable ferromagnetic correlations is observed above T{sub CO}, which is badly frustrated due to strong spin disorder induced by Jahn Teller distortions. Impedance measurements reveal the spin glass like scenario, suppressing the strong antiferromagnetic and charge ordering states below T{sub N}.

Lattice strain accompanying the colossal magnetoresistance effect in EuB6.

Science.gov (United States)

Manna, Rudra Sekhar; Das, Pintu; de Souza, Mariano; Schnelle, Frank; Lang, Michael; Müller, Jens; von Molnár, Stephan; Fisk, Zachary

2014-08-08

The coupling of magnetic and electronic degrees of freedom to the crystal lattice in the ferromagnetic semimetal EuB(6), which exhibits a complex ferromagnetic order and a colossal magnetoresistance effect, is studied by high-resolution thermal expansion and magnetostriction experiments. EuB(6) may be viewed as a model system, where pure magnetism-tuned transport and the response of the crystal lattice can be studied in a comparatively simple environment, i.e., not influenced by strong crystal-electric field effects and Jahn-Teller distortions. We find a very large lattice response, quantified by (i) the magnetic Grüneisen parameter, (ii) the spontaneous strain when entering the ferromagnetic region, and (iii) the magnetostriction in the paramagnetic temperature regime. Our analysis reveals that a significant part of the lattice effects originates in the magnetically driven delocalization of charge carriers, consistent with the scenario of percolating magnetic polarons. A strong effect of the formation and dynamics of local magnetic clusters on the lattice parameters is suggested to be a general feature of colossal magnetoresistance materials.

Frequency effects on charge ordering in Y0.5Ca0.5MnO3 by impedance spectroscopy

Science.gov (United States)

Sarwar, Tuba; Qamar, Afzaal; Nadeem, Muhammad

2015-02-01

In this work, structural and electrical properties of Y0.5Ca0.5MnO3 are investigated by employing X-ray diffraction and impedance spectroscopy, respectively. Applied ac electric field showed the charge ordering transition temperature around 265 K and below this temperature the heteromorphic behavior of the sample is discussed in the proximity of TCO. With frequency effects the volume of robust charge orbital ordering (COO) domains diminishes due to different competing phases along with Jahn Teller distortions. Comprehensive melting and collapse of charge orbital ordering occurs below TN(125 K), where a colossal drop in the value of impedance is observed. The change in profile of modulus plane plots determines the spreading of relaxation time of intermingled phases. Hopping mechanism is elaborated in terms of strong electron phonon coupling. Variable range hopping model and Arrhenius model are used to discuss the short and long range hopping between Mn3+ and Mn4+ channels assessing the activation energy Ea.

Gamow teller strength from n-nucleus scattering

International Nuclear Information System (INIS)

Haeusser, O.

1989-08-01

Detailed studies of the spin-isospin structure of nuclear excitations are possible at TRIUMF's medium resolution spectrometer using the (n,p), ( p → , p →/ and (p,n) reactions. We discuss here results on isospin symmetry of inelastic nucleon scattering reactions populating isospin triads in A=6 and A=12 nuclei. The empirical ratio of L=0 isovector spin flip cross sections at 200-450 MeV and B(GT) for strong Gamow-Teller transitions in p-shell nuclei is found to be larger than calculated in the DWIA using a free NN t-matrix. Based on empirical values of σ/B(GT) the β + Gamow Teller strength function from (n,p) reactions on (sd) and (fp) shell targets is substantially quenched compared to current nuclear structure models using the free-nucleon axial-vector coupling constant. (Author) 33 refs., 6 figs

Pseudo Jahn–Teller effect in distortion and restoration of planar configurations of tetra-heterocyclic 1,2-diazetes C{sub 2}N{sub 2}E{sub 4}, E = H, F, Cl, Br

Energy Technology Data Exchange (ETDEWEB)

Ilkhani, Ali R. [Institute for Theoretical Chemistry, University of Texas at Austin, Austin, TX 78712 (United States); Department of Chemistry, Yazd Branch, Islamic Azad University, Yazd (Iran, Islamic Republic of); Gorinchoy, Natalia N. [Institute of Chemistry, Academy of Sciences of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Bersuker, Isaac B., E-mail: bersuker@cm.utexas.edu [Institute for Theoretical Chemistry, University of Texas at Austin, Austin, TX 78712 (United States); Institute of Chemistry, Academy of Sciences of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of)

2015-10-16

Highlights: • The pseudo Jahn–Teller mechanism of puckering of tetracyclic 1,2-diazetes is revealed. • Vibronic constants are extracted from ab initio calculations versus PJTE equations. • Methods of restoring the planar configuration by external perturbations are suggested. - Abstract: The pseudo Jahn–Teller effect (PJTE) is employed to explain the origin of the puckered structures of tetra-heterocyclic 1,2-diazetes, C{sub 2}N{sub 2}E{sub 4}, E = H, F, Cl, Br, and to reveal the conditions of restoration of their planar configuration. The high-symmetry C{sub 2v} planar configuration of all these compounds is unstable with respect to puckering, a{sub 2}-type distortions produced by the PJT coupling between their ground {sup 1}A{sub 1} and excited {sup 1}A{sub 2} electronic states. The PJTE coupling constants are estimated by fitting ab initio calculated energy profiles to the formulas of the vibronic coupling problem (A{sub 1} + A{sub 2}) ⊗ a{sub 2}. The conditions for the restoration of the planar configurations of the C{sub 2}N{sub 2}E{sub 4} cycles were revealed: the PJTE can be quenched by removing the outer two electrons, e.g. by producing a “triple-decker sandwich” structure with two electron acceptors on both sides of the neutral cycle.

Ultrafast optically induced ferromagnetic/anti-ferromagnetic phase transition in GdTiO3 from first principles

Science.gov (United States)

Khalsa, Guru; Benedek, Nicole A.

2018-03-01

Epitaxial strain and chemical substitution have been the workhorses of functional materials design. These static techniques have shown immense success in controlling properties in complex oxides through the tuning of subtle structural distortions. Recently, an approach based on the excitation of an infrared active phonon with intense midinfrared light has created an opportunity for dynamical control of structure through special nonlinear coupling to Raman phonons. We use first-principles techniques to show that this approach can dynamically induce a magnetic phase transition from the ferromagnetic ground state to a hidden antiferromagnetic phase in the rare earth titanate GdTiO3 for realistic experimental parameters. We show that a combination of a Jahn-Teller distortion, Gd displacement, and infrared phonon motion dominate this phase transition with little effect from the octahedral rotations, contrary to conventional wisdom.

Science and Technology Review, July-August 1998: Celebrating Edward Teller at 90

Science.gov (United States)

Smart, J.

1998-07-01

On the occasion of Edward Teller's 90th birthday, Science and Technology Review (S&TR) has the pleasure of honoring Lawrence Livermore's co-founder and most influential scientist. Teller is known for his inventive work in physics, his concepts leading to thermonuclear explosions, and his strong stands on such issues as science education, the nation's strategic defense, the needs for science in the future, and sharing scientific information. The articles in this issue also show him, as always, tirelessly moving forward with his new and changing interests.

Perovskite LaPbMSbO6 (M=Co, Ni): Structural distortion, magnetic and dielectric properties

International Nuclear Information System (INIS)

Bai, Yijia; Han, Lin; Liu, Xiaojuan; Deng, Xiaolong; Wu, Xiaojie; Yao, Chuangang; Liang, Qingshuang; Meng, Junling; Meng, Jian

2014-01-01

The B-site ordered double perovskite oxides LaPbMSbO 6 (M=Co, Ni) have been synthesized via the modified Sol–Gel precursor two-step route. Rietveld refinements reveal strong abnormal structural distortion and BO 6 octahedral deformation appearing along the ab plane. Owing to the cooperative Jahn–Teller effect of Co 2+ and Pb 2+ ions, the Co-related compound exhibits almost complete Co 2+ –Sb 5+ order. For magnetic properties, spin-canted antiferromagnetic state with high extent of magnetic frustration is confirmed. The Ni-related compound presents heavier magnetic frustration for introducing tiny disorder on site occupation accompanied with valence state and further enhancing the complexity of magnetic competition. Dielectric measurements present a considerable temperature dependent dielectric relaxation with great dc-like loss feature in the LaPbCoSbO 6 . For LaPbNiSbO 6 , however, the permittivity with low dielectric loss is shown to be insensitive to either temperature or frequency. The corresponding electronic active energy manifests that the weakly bounded 3d-electron is prone to hop in a more distorted Co–Sb sublattice. - Graphical abstract: XRD Rietveld refinement result of LaPbCoSbO 6 presented a large BO 6 octahedral distortion along the ab plane. Based upon the variations from Co–O–Sb bond angles, a fierce competition from many extended magnetic coupling routes (M–O–O–M) would induce a considerably large magnetic frustration and electron hopping restriction. - Highlights: • Highly ordered LaPbMSbO 6 (M=Co, Ni) were synthesized. • Abnormal structural distortion appeared in the ab plane. • Strong magnetic frustration was confirmed via M 2+ –O–O–M 2+ route. • Dielectric measurements presented a large difference between Co and Ni samples. • 3d-electronic structure determines lattice distortion and physical properties

Studies of the local distortions and the EPR parameters for Cu{sup 2+} in xLi{sub 2}O-(30-x)Na{sub 2}O-69.5B{sub 2}O glasses

Energy Technology Data Exchange (ETDEWEB)

Ding, Chang-Chun; Wu, Shao-Yi; Kuang, Min-Quan; Hu, Xian-Fen; Li, Guo-Liang [Univ. of Electronic Science and Technology of China, Chengdu (China). Dept. of Applied Physics

2016-07-01

The local distortions and electron paramagnetic resonance (EPR) parameters for Cu2+ in lithium sodium borate (LNB) glasses xLi{sub 2}O.(30-x).Na{sub 2}O.69.5B{sub 2}O{sub 3} (5 ≤ x ≤ 25 mol%) are theoretically studied at various concentrations x in a consistent way. Owing to the Jahn-Teller effect, the [CuO{sub 6}]{sup 10-} clusters are found to experience the significant tetragonal elongations of 16% along C{sub 4} axis. Despite the nearly unchanging observed g factors, measured d-d transition band (or cubic field parameter Dq) shows remarkable linear increases with concentration x, whose influences on g {sub parallel} and g {sub perpendicular} {sub to} are actually cancelled by the linearly increasing covalency factor N and relative elongation ratio η with x. The almost unvarying hyperfine structure constants are attributed to the fact that the influences of the linearly increasing N and the linearly decreasing core polarisation constant κ largely cancel one another. The microscopic mechanisms of the above concentration dependences for these quantities are illustrated from mixed alkali effect (modification of B{sub 2}O{sub 3} network by transforming some BO{sub 3} units into BO{sub 4} ones with variations in modifier Li{sub 2}O concentration).

Orbital symmetry fingerprints for magnetic adatoms in graphene

Science.gov (United States)

Uchoa, Bruno; Yang, Ling; Tsai, S.-W.; Peres, N. M. R.; Castro Neto, A. H.

2014-01-01

In this paper, we describe the formation of local resonances in graphene in the presence of magnetic adatoms containing localized orbitals of arbitrary symmetry, corresponding to any given angular momentum state. We show that quantum interference effects which are naturally inbuilt in the honeycomb lattice in combination with the specific orbital symmetry of the localized state lead to the formation of fingerprints in differential conductance curves. In the presence of Jahn-Teller distortion effects, which lift the orbital degeneracy of the adatoms, the orbital symmetries can lead to distinctive signatures in the local density of states. We show that those effects allow scanning tunneling probes to characterize adatoms and defects in graphene.

DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes

International Nuclear Information System (INIS)

Alexander, Bruce D.; Dines, Trevor J.; Longhurst, Rayne W.

2008-01-01

Structures of the [M(bpy) 3 ] 2+ complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy) 3 ] 2+ which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the 1 E MLCT excited state

DFT calculations of the structures and vibrational spectra of the [Fe(bpy) 3] 2+ and [Ru(bpy) 3] 2+ complexes

Science.gov (United States)

Alexander, Bruce D.; Dines, Trevor J.; Longhurst, Rayne W.

2008-09-01

Structures of the [M(bpy) 3] 2+ complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy) 3] 2+ which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the 1E MLCT excited state.

12 CFR 205.16 - Disclosures at automated teller machines.

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 2 2010-01-01 2010-01-01 false Disclosures at automated teller machines. 205... SYSTEM ELECTRONIC FUND TRANSFERS (REGULATION E) § 205.16 Disclosures at automated teller machines. (a) Definition. Automated teller machine operator means any person that operates an automated teller machine at...

Four-dimensional Ashkin-Teller gauge theory

International Nuclear Information System (INIS)

Alcaraz, F.C.; Jacobs, L.

1983-01-01

The authors construct and analyze a lattice field theory of two Z 2 gauge fields which interact in a minimal gauge-invariant fashion. Although the theory presented here, a generalization of the two-dimensional Ashkin-Teller spin system, has no formal continuum limit, it is found that it has an electrodynamicslike phase similar to that observed in general Z/sub N/ theories for N> or =4. This model is probably the simplest generalization of the conventional Z 2 pure gauge theory which has a massless phase separated from the strong- and weak-coupling regions by lines of second-order phase transitions

Ultrasonic study of the charge mismatch effect in charge-ordered (Nd{sub 0.75}Na{sub 0.25}){sub x}(Nd{sub 0.5}Ca{sub 0.5}){sub 1-x}MnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Jiang Liang; Su Jinrui; Kong Hui; Liu Yi; Zheng Shiyuan; Zhu Changfei [Laboratory of Advanced Functional Materials and Devices, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China)

2006-09-20

The resistivity, magnetization and ultrasonic properties of charge-ordered polycrystalline (Nd{sub 0.75}Na{sub 0.25}){sub x}(Nd{sub 0.5}Ca{sub 0.5}){sub 1-x}MnO{sub 3} have been investigated from 50 to 300 K. A considerable velocity softening accompanied by an attenuation peak was observed around the charge-ordering transition temperature (T{sub CO}) upon cooling. The simultaneous occurrence of the charge ordering (CO) and the ultrasonic anomaly implies strong electron-phonon coupling, which originates from the cooperative Jahn-Teller effect. At very low temperature, another broad attenuation peak was observed, which is attributed to the phase separation (PS) and gives a direct evidence of spin-phonon coupling in the compound. With increasing x, T{sub CO} shifts to lower temperature, the magnetization of the system is strengthened and the PS is enhanced. The temperature dependence of the longitudinal modulus shows that the Jahn-Teller coupling energy E{sub JT} decreases with increasing Na content. The analysis suggests that the charge mismatch effect may be the main reason for the suppression of the CO and enhancement of the PS.

Polarization enhancement and ferroelectric switching enabled by interacting magnetic structures in DyMnO3 thin films

KAUST Repository

Lu, Chengliang

2013-12-02

The mutual controls of ferroelectricity and magnetism are stepping towards practical applications proposed for quite a few promising devices in which multiferroic thin films are involved. Although ferroelectricity stemming from specific spiral spin ordering has been reported in highly distorted bulk perovskite manganites, the existence of magnetically induced ferroelectricity in the corresponding thin films remains an unresolved issue, which unfortunately halts this step. In this work, we report magnetically induced electric polarization and its remarkable response to magnetic field (an enhancement of ?800% upon a field of 2 Tesla at 2 K) in DyMnO3 thin films grown on Nb-SrTiO3 substrates. Accompanying with the large polarization enhancement, the ferroelectric coercivity corresponding to the magnetic chirality switching field is significantly increased. A picture based on coupled multicomponent magnetic structures is proposed to understand these features. Moreover, different magnetic anisotropy related to strain-suppressed GdFeO 3-type distortion and Jahn-Teller effect is identified in the films.

Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2 systems

KAUST Repository

Cheng, Yingchun

2013-03-05

Using first-principles calculations, we propose a two-dimensional diluted magnetic semiconductor: monolayer MoS2 doped by transition metals. Doping of transition metal atoms from the IIIB to VIB groups results in nonmagnetic states, since the number of valence electrons is smaller or equal to that of Mo. Doping of atoms from the VIIB to IIB groups becomes energetically less and less favorable. Magnetism is observed for Mn, Fe, Co, Zn, Cd, and Hg doping, while for the other dopants from these groups it is suppressed by Jahn-Teller distortions. Analysis of the binding energies and magnetic properties indicates that (Mo,X)S2 (X=Mn, Fe, Co, and Zn) are promising systems to explore two-dimensional diluted magnetic semiconductors.

DFT calculations of the structures and vibrational spectra of the [Fe(bpy){sub 3}]{sup 2+} and [Ru(bpy){sub 3}]{sup 2+} complexes

Energy Technology Data Exchange (ETDEWEB)

Alexander, Bruce D. [School of Science, University of Greenwich at Medway, Central Avenue, Chatham Maritime, Kent ME4 4TB (United Kingdom); Dines, Trevor J. [Division of Electronic Engineering and Physics, University of Dundee, Dundee DD1 4HN (United Kingdom)], E-mail: t.j.dines@dundee.ac.uk; Longhurst, Rayne W. [Division of Electronic Engineering and Physics, University of Dundee, Dundee DD1 4HN (United Kingdom)

2008-09-03

Structures of the [M(bpy){sub 3}]{sup 2+} complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy){sub 3}]{sup 2+} which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the {sup 1}E MLCT excited state.

ESR of Ag2+ ions in S2F2 crystal

International Nuclear Information System (INIS)

Zaripov, M.M.; Ulanov, V.A.; Falin, M.L.

1989-01-01

Experimental data on investigation of bivalent silver ions in S 2 F 2 crystals are presented. Due to the investigation of the grown crystals it is determined that centres of univalent silver ore formed in SrF 2 during crystal growth. X-ray irradiation at room temperature results in the transition of these centres in bivalent staes. Investigation of temperature dependence of ESR spectra type has allowed to make the conclusion about the presence of Jahn-Teller dynamic effect. Analysis of experimental data allows to develop a model of the investigated paramagnetic complex in S 2 F 2 crystal where Ag 2* ion has coordination polyhedron in the form of eight F - ion cube distorted by C 3 3 axis

Synchrotron radiation-based 61Ni Mössbauer spectroscopic study of Li(Ni1/3Mn1/3Co1/3)O2 cathode materials of lithium ion rechargeable battery

Science.gov (United States)

Segi, Takashi; Masuda, Ryo; Kobayashi, Yasuhiro; Tsubota, Takayuki; Yoda, Yoshitaka; Seto, Makoto

2016-12-01

Layered rocksalt type oxides, such as Li(Ni1/3Mn1/3Co1/3)O2, are widely used as the cathode active materials of lithium-ion rechargeable batteries. Because the nickel ions are associated with the role of the charge compensation at discharge and charge, the 61Ni Mössbauer measurements at 6 K using synchrotron radiation were performed to reveal the role of Ni. The Ni ions of the active materials play two roles for the redox process between the charge and discharge states of lithium-ion batteries. Half of the total Ni ions change to the low-spin Ni3+ with Jahn-Teller distortion from the Ni2+ ions of the discharge state. The remainder exhibit low-spin state divalent Ni ions.

Spontaneous electric polarization in the B-site magnetic spinel GeCu2O4

Science.gov (United States)

Yanda, Premakumar; Ghara, Somnath; Sundaresan, A.

2018-04-01

We report the observation of a spontaneous electric polarization at the antiferromagnetic ordering temperature (TN ∼ 33 K) of Cu2+ ions in the B-site magnetic spinel GeCu2O4, synthesized at high pressure and high temperature. This compound is known to crystallize in a tetragonal structure (space group I41/amd) due to Jahn-Teller distortion of Cu2+ ions and exhibit a collinear up-up-down-down (↑↑↓↓) antiferromagnetic spin configuration below TN. We found a clear dielectric anomaly at TN, where an electric polarization appears in the absence of applied magnetic field. The electric polarization is suppressed by applied magnetic fields, which demonstrates that the compound GeCu2O4 is a type-II multiferroic.

High pressure synthesis, crystal growth and magnetic properties of TiOF

Science.gov (United States)

Cumby, J.; Burchell, M. B.; Attfield, J. P.

2018-06-01

Polycrystalline samples of TiOF have been prepared at 1300 °C and 8 GPa, with small single crystals grown at the same conditions. The crystal structure remains tetragonal rutile-type down to at least 90 K (space group P42/mnm, a = 4.6533 (2) Å and c = 3.0143 (2) Å at 90 K) and the Ti(O,F)6 octahedra are slightly compressed, consistent with Jahn-Teller distortion of 3d1 Ti3+. Diffuse scattering reveals disordered structural correlations that may arise from local cis-order of oxide anions driven by covalency. TiOF is paramagnetic down to 5 K and observation of a small paramagnetic moment and a substantial Pauli term indicates that the d-electrons are partially delocalised.

Pseudo Jahn–Teller origin of ferroelectric instability in BaTiO{sub 3} type perovskites: The Green's function approach and beyond

Energy Technology Data Exchange (ETDEWEB)

Polinger, V., E-mail: polinv@uw.edu [Department of Physics, University of Washington, Seattle, WA 98195-1560 (United States); Garcia-Fernandez, P. [Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Avenida de los Castros s/n, E-39005 Santander (Spain); Bersuker, I.B. [Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, TX 78712-0165 (United States)

2015-01-15

The local origin of dipolar distortions in ABO{sub 3} perovskite crystals is reexamined by means of a novel approach, the Green's function method augmented by DFT computations. The ferroelectric distortions are shown to be induced by the pseudo Jahn–Teller effect (PJTE). The latter involves vibronic hybridization (admixture) of the ground state to same-spin opposite-parity excited electronic bands. Similar to numerous molecular calculations, the PJT approach provides a deeper insight into the nature of chemical bonding in the octahedral cluster [BO{sub 6}] and, in particular, reveals the local origin of its polar instability. This allows predicting directly which transition ions can create ferroelectricity. In particular, the necessary conditions are established when an ABO{sub 3} perovskite crystal with an electronic d{sup n} configuration of the complex ion [BO{sub 6}] can possess both proper ferroelectric and magnetic properties. Distinguished from the variety of cluster approaches to local properties, the Green's function method includes the influence of the local vibronic-coupling perturbation on the whole crystal via the inter-cell interaction responsible for creation of electronic and vibrational bands. Calculated Green's functions combined with the corresponding numeric estimates for the nine electronic bands, their density of states, and the local adiabatic potential energy surface (APES) confirm the eight-minimum form of this surface and feasibility of the PJT origin of the polar instability in BaTiO{sub 3}. We show also that multicenter long-range dipole–dipole interactions critically depend on the PJTE largely determining the magnitude of the local dipoles. DFT calculations for the bulk crystal and its clusters confirm that the dipolar distortions are of local origin, but become possible only when their influence on (relaxation of) the whole lattice is taken into account. The results are shown to be in full qualitative and

Perovskite LaPbMSbO{sub 6} (M=Co, Ni): Structural distortion, magnetic and dielectric properties

Energy Technology Data Exchange (ETDEWEB)

Bai, Yijia [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China); Chemical Engineering College, Inner Mongolia University of Technology, 49 Aimin Street, Hohhot 010051 (China); Han, Lin [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China); University of Chinese Academy of Sciences, Beijing 10049 (China); Liu, Xiaojuan, E-mail: lxjuan@ciac.jl.cn [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China); Deng, Xiaolong [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China); University of Chinese Academy of Sciences, Beijing 10049 (China); Wu, Xiaojie [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China); Yao, Chuangang; Liang, Qingshuang; Meng, Junling [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China); University of Chinese Academy of Sciences, Beijing 10049 (China); Meng, Jian, E-mail: jmeng@ciac.jl.cn [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China)

2014-09-15

The B-site ordered double perovskite oxides LaPbMSbO{sub 6} (M=Co, Ni) have been synthesized via the modified Sol–Gel precursor two-step route. Rietveld refinements reveal strong abnormal structural distortion and BO{sub 6} octahedral deformation appearing along the ab plane. Owing to the cooperative Jahn–Teller effect of Co{sup 2+} and Pb{sup 2+} ions, the Co-related compound exhibits almost complete Co{sup 2+}–Sb{sup 5+} order. For magnetic properties, spin-canted antiferromagnetic state with high extent of magnetic frustration is confirmed. The Ni-related compound presents heavier magnetic frustration for introducing tiny disorder on site occupation accompanied with valence state and further enhancing the complexity of magnetic competition. Dielectric measurements present a considerable temperature dependent dielectric relaxation with great dc-like loss feature in the LaPbCoSbO{sub 6}. For LaPbNiSbO{sub 6}, however, the permittivity with low dielectric loss is shown to be insensitive to either temperature or frequency. The corresponding electronic active energy manifests that the weakly bounded 3d-electron is prone to hop in a more distorted Co–Sb sublattice. - Graphical abstract: XRD Rietveld refinement result of LaPbCoSbO{sub 6} presented a large BO{sub 6} octahedral distortion along the ab plane. Based upon the variations from Co–O–Sb bond angles, a fierce competition from many extended magnetic coupling routes (M–O–O–M) would induce a considerably large magnetic frustration and electron hopping restriction. - Highlights: • Highly ordered LaPbMSbO{sub 6} (M=Co, Ni) were synthesized. • Abnormal structural distortion appeared in the ab plane. • Strong magnetic frustration was confirmed via M{sup 2+}–O–O–M{sup 2+} route. • Dielectric measurements presented a large difference between Co and Ni samples. • 3d-electronic structure determines lattice distortion and physical properties.

Frequency effects on charge ordering in Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} by impedance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Sarwar, Tuba, E-mail: sarwartuba@gmail.com [EMMG, Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan); DPAM, PIEAS, P. O. Nilore, Islamabad (Pakistan); Qamar, Afzaal [Queensland Micro-Nanotechnology Centre, Griffith University, Nathan, QLD 4111 (Australia); Nadeem, Muhammad [EMMG, Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan)

2015-02-01

In this work, structural and electrical properties of Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} are investigated by employing X-ray diffraction and impedance spectroscopy, respectively. Applied ac electric field showed the charge ordering transition temperature around 265 K and below this temperature the heteromorphic behavior of the sample is discussed in the proximity of T{sub CO}. With frequency effects the volume of robust charge orbital ordering (COO) domains diminishes due to different competing phases along with Jahn Teller distortions. Comprehensive melting and collapse of charge orbital ordering occurs below T{sub N}(125 K), where a colossal drop in the value of impedance is observed. The change in profile of modulus plane plots determines the spreading of relaxation time of intermingled phases. Hopping mechanism is elaborated in terms of strong electron phonon coupling. Variable range hopping model and Arrhenius model are used to discuss the short and long range hopping between Mn{sup 3+} and Mn{sup 4+} channels assessing the activation energy E{sub a}. - Highlights: • Present study contains a detailed investigation over the electrical and structural properties of Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} especially its behavior across the charge ordering transition. • Impedance measurements illustrate the comprehensive melting and collapse of robust charge orbital ordering with colossal drop in impedance. • In T{sub N}Teller distortions badly frustrating the spins of manganese. • Modulus plane plots determine the spreading of relaxation time of intermingled phases indicating the contribution of grain boundary and grain interior. • Variable range hopping model and Arrhenius model are used to discuss the short and long range hopping between Mn{sup 3+} and Mn{sup 4+} channels assessing the activation energy E{sub a}.

78 FR 18221 - Disclosures at Automated Teller Machines (Regulation E)

Science.gov (United States)

2013-03-26

... Disclosures at Automated Teller Machines (Regulation E) AGENCY: Bureau of Consumer Financial Protection... the EFTA to eliminate a requirement that a fee notice be posted on or at automated teller machines... legislation, though the Electronic Fund Transfer Act and Regulation E use the term ``automated teller machine...

Coupled Electronic and Magnetic Phase Transition in the Infinite-Layer Phase LaSrNiRuO4.

Science.gov (United States)

Patino, Midori Amano; Zeng, Dihao; Bower, Ryan; McGrady, John E; Hayward, Michael A

2016-09-06

Topochemical reduction of the ordered double perovskite LaSrNiRuO6 with CaH2 yields LaSrNiRuO4, an extended oxide phase containing infinite sheets of apex-linked, square-planar Ni(1+)O4 and Ru(2+)O4 units ordered in a checkerboard arrangement. At room temperature the localized Ni(1+) (d(9), S = (1)/2) and Ru(2+) (d(6), S = 1) centers behave paramagnetically. However, on cooling below 250 K the system undergoes a cooperative phase transition in which the nickel spins align ferromagnetically, while the ruthenium cations appear to undergo a change in spin configuration to a diamagnetic spin state. Features of the low-temperature crystal structure suggest a symmetry lowering Jahn-Teller distortion could be responsible for the observed diamagnetism of the ruthenium centers.

Synchrotron radiation-based {sup 61}Ni Mössbauer spectroscopic study of Li(Ni{sub 1/3}Mn{sub 1/3}Co{sub 1/3})O{sub 2} cathode materials of lithium ion rechargeable battery

Energy Technology Data Exchange (ETDEWEB)

Segi, Takashi, E-mail: segi.takashi@kki.kobelco.com [Kobelco Research Institute, Inc. (Japan); Masuda, Ryo; Kobayashi, Yasuhiro [Kyoto University, Research Reactor Institute (Japan); Tsubota, Takayuki [Kobelco Research Institute, Inc. (Japan); Yoda, Yoshitaka [Japan Synchrotron Radiation Research Institute, Research and Utilization Division (Japan); Seto, Makoto [Kyoto University, Research Reactor Institute (Japan)

2016-12-15

Layered rocksalt type oxides, such as Li(Ni{sub 1/3}Mn{sub 1/3}Co{sub 1/3})O{sub 2}, are widely used as the cathode active materials of lithium-ion rechargeable batteries. Because the nickel ions are associated with the role of the charge compensation at discharge and charge, the {sup 61}Ni Mössbauer measurements at 6 K using synchrotron radiation were performed to reveal the role of Ni. The Ni ions of the active materials play two roles for the redox process between the charge and discharge states of lithium-ion batteries. Half of the total Ni ions change to the low-spin Ni {sup 3+} with Jahn-Teller distortion from the Ni {sup 2+} ions of the discharge state. The remainder exhibit low-spin state divalent Ni ions.

Fine structure of V2+ energy levels in CsCaF3:V2+

International Nuclear Information System (INIS)

Avram, C.N.; Brik, M.G.

2004-01-01

Theoretical investigations of the fine structure of the lasing 4 T 2g level in a CsCaF 3 :V 2+ crystal were carried out. The spin-orbit splitting of the 4 T 2g term in the static low crystal field was obtained from the Eisenstein matrices and using parameters (Dq, B, C, ζ SO ) appropriate for the 4 T 2g - 4 A 2g zero-phonon line. The 4 T 2g spinor splitting has been modeled by the second-order spin-orbit Hamiltonian. The effect of the dynamical Jahn-Teller interaction on the spin-orbit splitting of the 4 T 2g term was taken into account; the Jahn-Teller stabilization energy, ZPL splitting and the Huang-Rhys parameter for the e g normal mode were all evaluated

Anomalous Centrifugal Distortion in NH_2

Science.gov (United States)

Martin-Drumel, Marie-Aline; Pirali, Olivier; Coudert, L. H.

2017-06-01

The NH2 radical spectrum, first observed by Herzberg and Ramsay, is dominated by a strong Renner-Teller effect giving rise to two electronic states: the bent X ^{2}B_1 ground state and the quasi-linear A ^{2}A_1 excited state. The NH2 radical has been the subject of numerous high-resolution investigations and its electronic and ro-vibrational transitions have been measured. Using synchrotron radiation, new rotational transitions have been recently recorded and a value of the rotational quantum number N as large as 26 could be reached. In the X ^{2}B_1 ground state, the NH2 radical behaves like a triatomic molecule displaying spin-rotation splittings. Due to the lightness of the molecule, a strong coupling between the overall rotation and the bending mode arises whose effects increase with N and lead to the anomalous centrifugal distortion evidenced in the new measurements.^d In this talk the Bending-Rotation approach developed to account for the anomalous centrifugal distortion of the water molecule is modified to include spin-rotation coupling and applied to the fitting of high-resolution data pertaining to the ground electronic state of NH2. A preliminary line position analysis of the available data^{c,d} allowed us to account for 1681 transitions with a unitless standard deviation of 1.2. New transitions could also be assigned in the spectrum recorded by Martin-Drumel et al.^d In the talk, the results obtained with the new theoretical approach will be compared to those retrieved with a Watson-type Hamiltonian and the effects of the vibronic coupling between the ground X ^{2}B_1 and the excited A ^{2}A_1 electronic state will be discussed. Herzberg and Ramsay, J. Chem. Phys. 20 (1952) 347 Dressler and Ramsay, Phil. Trans. R. Soc. A 25 (1959) 553 Hadj Bachir, Huet, Destombes, and Vervloet, J. Molec. Spectrosc. 193 (1999) 326 McKellar, Vervloet, Burkholder, and Howard, J. Molec. Spectrosc. 142 (1990) 319 Morino and Kawaguchi, J. Molec. Spectrosc. 182 (1997) 428

Quasi-Particle Relaxation and Quantum Femtosecond Magnetism in Non-Equilibrium Phases of Insulating Manganites

Science.gov (United States)

Perakis, Ilias; Kapetanakis, Myron; Lingos, Panagiotis; Barmparis, George; Patz, A.; Li, T.; Wang, Jigang

We study the role of spin quantum fluctuations driven by photoelectrons during 100fs photo-excitation of colossal magneto-resistive manganites in anti-ferromagnetic (AFM) charge-ordered insulating states with Jahn-Teller distortions. Our mean-field calculation of composite fermion excitations demonstrates that spin fluctuations reduce the energy gap by quasi-instantaneously deforming the AFM background, thus opening a conductive electronic pathway via FM correlation. We obtain two quasi-particle bands with distinct spin-charge dynamics and dependence on lattice distortions. To connect with fs-resolved spectroscopy experiments, we note the emergence of fs magnetization in the low-temperature magneto-optical signal, with threshold dependence on laser intensity characteristic of a photo-induced phase transition. Simultaneously, the differential reflectivity shows bi-exponential relaxation, with fs component, small at low intensity, exceeding ps component above threshold for fs AFM-to-FM switching. This suggests the emergence of a non-equilibrium metallic FM phase prior to establishment of a new lattice structure, linked with quantum magnetism via spin/charge/lattice couplings for weak magnetic fields.

High resolution photoelectron spectroscopy of clusters of Group V elements

International Nuclear Information System (INIS)

Wang, Lai-sheng; Niu, B.; Lee, Y.T.; Shirley, D.A.

1989-07-01

High resolution HeI (580 angstrom) photoelectron spectra of As 2 , As 4 , and P 4 were obtained with a newly-built high temperature molecular beam source. Vibrational structure was resolved in the photoelectron spectra of the three cluster species. The Jahn-Teller effect is discussed for the 2 E and 2 T 2 states of P 4 + and As 4 + . As a result of the Jahn-Teller effect, the 2 E state splits into two bands, and the 2 T 2 state splits into three bands, in combination with the spin-orbit effect. It was observed that the ν 2 normal vibrational mode was involved in the vibronic interaction of the 2 E state, while both the ν 2 and ν 3 modes were active in the 2 T 2 state. 26 refs., 5 figs., 3 tabs

Gamow-Teller Strength Distributions for Some Magic Nuclei

Directory of Open Access Journals (Sweden)

Necla ÇAKMAK

2014-12-01

Full Text Available The total Gamow-Teller strengths and their energy distributions for 96Zr, 96Sr, 54Ca, 28O, 24C and 14C have been obtained within the framework of Random Phase Approximation (RPA. The effective interaction potential has been described by considering the commutativity of the Gamow-Teller operator with the central part of the nuclear Hamiltonian.

Occupational Noise Exposure among Toll Tellers at Toll Plaza in Malaysia

Science.gov (United States)

Azmi, Sharifah Nadya Syed; Dawal, Siti Zawiah Md; Ya, Tuan Mohammad Yusoff Shah Tuan; Saidin, Hamidi

2010-10-01

Toll tellers working at toll plaza have potential of exposure to high noise from the vehicles especially for the peak level of sound emitted by the heavy vehicles. However, occupational exposures in this workplace have not been adequately characterized and identified. Occupational noise exposure among toll tellers at toll plaza was assessed using Sound Level Meter, Noise Dosimeter and through questionnaire survey. These data were combined to estimate the work shift exposure level and health impacts to the toll tellers by using statistical analysis. Noise Dosimeter microphone was located at the hearing zone of the toll teller which working inside the toll booth and full-period measurements were collected for each work shift. The measurements were taken at 20 toll booths from 6.00 am to 2.00 pm for 5 days. 71 respondents participated in the survey to identify the symptoms of noise induced hearing loss and other health related problems among toll tellers. Results of this study indicated that occupational noise exposure among toll tellers for Mean Continuous Equivalent Level, Leq was 79.2±1.4 dB(A), Mean Maximum Level, Lmax was 107.8±3.6 dB(A) and Mean Peak Level, Lpeak was 136.6±9.9 dB. The Peak Level reported statistically significantly at 140 dB, the level of TLV recommended by ACGIH. The research findings indicated that the primary risk exposure to toll tellers comes from noise that emitted from heavy vehicles. Most of the toll tellers show symptoms of noise induced hearing loss and annoyed by the sources of noise at the toll plaza.

Experimental elucidation: microscopic mechanism of resonant X-ray scattering in manganite films

CERN Document Server

Ohsumi, H; Kiyama, T

2003-01-01

Resonant X-ray scattering experiments have been performed on perovskite manganite La sub 0 sub . sub 5 Sr sub 0 sub . sub 5 MnO sub 3 thin films, which are grown on three distinct perovskite with a coherent epitaxial strain and have a forced ferro-type orbital ordering of Mn 3d orbitals. Using an interference technique, we have successfully observed the resonant X-ray scattering signal from the system having the ferro-type orbital ordering and also revealed the energy scheme of Mn 4p bands. For the forced ferro-type orbital ordering system, the present results evidence that the resonant X-ray scattering signal originates from the band structure effect due to the Jahn-Teller distortion of a MnO sub 6 octahedron, and not from the Coulomb interaction between 3d and 4p electrons. (author)

Structural analysis of LaVO3 thin films under epitaxial strain

Directory of Open Access Journals (Sweden)

H. Meley

2018-04-01

Full Text Available Rare earth vanadate perovskites exhibit a phase diagram in which two different types of structural distortions coexist: the strongest, the rotation of the oxygen octahedra, comes from the small tolerance factor of the perovskite cell (t = 0.88 for LaVO3 and the smaller one comes from inter-site d-orbital interactions manifesting as a cooperative Jahn-Teller effect. Epitaxial strain acts on octahedral rotations and crystal field symmetry to alter this complex lattice-orbit coupling. In this study, LaVO3 thin film structures have been investigated by X-ray diffraction and scanning transmission electron microscopy. The analysis shows two different orientations of octahedral tilt patterns, as well as two distinct temperature behaviors, for compressive and tensile film strain states. Ab initio calculations capture the strain effect on the tilt pattern orientation in agreement with experimental data.

Direct and real time probe of photoinduced structure transition in colossal magnetoresistive material

Energy Technology Data Exchange (ETDEWEB)

Li, Junjie [Physics Department, Florida State University, Tallahassee, Florida 32310 (United States); National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973 (United States); Wang, Xuan [Institute of physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100190 (China); Zhou, Haidong [National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Zhou, Jun; Cao, Jianming, E-mail: jcao@magnet.fsu.edu [Physics Department, Florida State University, Tallahassee, Florida 32310 (United States); National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Cheng, J. G. [Texas Materials Institute, University of Texas at Austin, Austin, Texas 78712 (United States)

2016-07-25

We report a direct and real time measurement of photoinduced structure phase transition in single crystal La{sub 0.84}Sr{sub 0.16}MnO{sub 3} using femtosecond electron diffraction. The melting of orthorhombic lattice ordering under femtosecond optical excitation is found involving two distinct processes with different time scales, an initial fast melting of orthorhombic phase in about 4 ps and a subsequent slower transformation in 90 ps and longer timescales. The fast process is designated as the initial melting of orthorhombic phase induced by the Mn-O bond change that is most likely driven by the quenching of the dynamic Jahn-Teller distortion following the photo-excitation. The slow process is attributed to the growing of newly formed structure domain from the photo-excited sites to the neighboring non-excited orthorhombic sites.

The spin symmetry for deformed generalized Poeschl-Teller potential

International Nuclear Information System (INIS)

Wei Gaofeng; Dong Shihai

2009-01-01

In the case of spin symmetry we solve the Dirac equation with scalar and vector deformed generalized Poeschl-Teller (DGPT) potential and obtain exact energy equation and spinor wave functions for s-wave bound states. We find that there are only positive energy states for bound states in the case of spin symmetry based on the strong regularity restriction condition λ<-η for the wave functions. The energy eigenvalue approaches a constant when the potential parameter α goes to zero. Two special cases such as generalized PT potential and standard PT potential are also briefly discussed.

Theoretical Studies of the Spin Hamiltonian Parameters and Local Distortions for Cu2+ in Alkaline Earth Lead Zinc Phosphate Glasses

Science.gov (United States)

Wang, Bo-Kun; Wu, Shao-Yi; Yuan, Zi-Yi; Liu, Zi-Xuan; Jiang, Shi-Xin; Liu, Zheng; Yao, Zi-Jian; Teng, Bao-Hua; Wu, Ming-He

2016-08-01

The spin Hamiltonian parameters and local structures are theoretically studied for Cu2+-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d9 cluster. The relative elongation ratios are found to be ρ≈3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu2+-O2- electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Bacontaining copper dopants.

After the Prestige: A Postmodern Analysis of Penn and Teller

Directory of Open Access Journals (Sweden)

Miller, Liz

2015-12-01

Full Text Available By mocking the magic community and revealing the secret behind some of their tricks, Penn and Teller perform a kind of parodic and post-modern “anti-magic.” Penn and Teller display an artful use of rhetoric; in exposing the secrets and shortcomings of conjuring, they are revolutionizing the way people think about both the art of magic and the magic community. Individuals such as Penn and Teller may use parody to subvert the hegemonic interpretations. However, we also know that it is difficult to bring down a system while operating within that system. Thus, this article explores the way Penn and Teller are challenging the metanarrative of the magic community, using several of the duo’s more popular illusions as examples for analysis. Ultimately, this paper should help us gain a better understanding of the way parody can be used to challenge hegemonic conceptions, and the limitations of this type of rhetorical approach.

Gamow-Teller beta decay of proton-rich nuclei

International Nuclear Information System (INIS)

Klepper, O.; Rykaczewski, K.

1990-11-01

The beta decays of 48 Mn and of even-even nuclei near the double shell-closures at 100 Sn and 146 Gd are currently investigated at the GSI on-line mass separator. Their Gamow-Teller strength are surveyed in their present experimental status, together with related results from the ISOLDE (CERN) and ISOCELE (Orsay) separators, and are compared with predictions from different nuclear models. The strength of the 0 + → 1 + Gamow-Teller transitions is compiled in tables and graphs. (orig.)

Cu2+ in layered compounds: origin of the compressed geometry in the model system K2ZnF4:Cu2+.

Science.gov (United States)

Aramburu, J A; García-Lastra, J M; García-Fernández, P; Barriuso, M T; Moreno, M

2013-06-17

Many relevant properties (including superconductivity and colossal magnetoresistance) of layered materials containing Cu(2+), Ag(2+), or Mn(3+) ions are commonly related to the Jahn-Teller instability. Along this line, the properties of the CuF6(4-) complex in the K2ZnF4 layered perovskite have recently been analyzed using a parametrized Jahn-Teller model with an imposed strain [Reinen, D. Inorg. Chem.2012, 51, 4458]. Here, we present results of ab initio periodic supercell and cluster calculations on K2ZnF4:Cu(2+), showing unequivocally that the actual origin of the unusual compressed geometry of the CuF6(4-) complex along the crystal c axis in that tetragonal lattice is due to the presence of an electric field due to the crystal surrounding the impurity. Our calculations closely reproduce the experimental optical spectrum. The calculated values of the equilibrium equatorial and axial Cu(2+)-F(-) distances are, respectively, R(ax) = 193 pm and R(eq) = 204 pm, and so the calculated distortion R(ax) - R(eq) = 11 pm is three times smaller than the estimated through the parametrized Jahn-Teller model. As a salient feature, we find that if the CuF6(4-) complex would assume a perfect octahedral geometry (R(ax) = R(eq) = 203 pm) the antibonding a(1g)*(∼3z(2) - r(2)) orbital is placed above b(1g)*(∼x(2) - y(2)) with a transition energy E((2)A(1g) → (2)B(1g)) = 0.34 eV. This surprising fact stresses that about half the experimental value E((2)A(1g) → (2)B(1g)) = 0.70 eV is not due to the small shortening of the axial Cu(2+)-F(-) distance, but it comes from the electric field, E(R)(r), created by the rest of the lattice ions on the CuF6(4-) complex. This internal field, displaying tetragonal symmetry, is thus responsible for the compressed geometry in K2ZnF4:Cu(2+) and the lack of symmetry breaking behind the ligand relaxation. Moreover, we show that the electronic energy gain in this process comes from bonding orbitals and not from antibonding ones. The present

Study of the giant Gamow-Teller resonance in nuclear beta-decay

International Nuclear Information System (INIS)

Dicklage, R.D. von; Hansen, P.G.

1984-01-01

A strong effort has been devoted to the development of new target-ion-source systems at ISOLDE which would give higher yields of proton-rich nuclei. The first break-trough has been obtained for the element argon where one recently was able to produce about three orders of magnitude higher yields than in the first experiments. This makes it possible to perform experiments, involving β-delayed protons and gamma-rays, which may give information about the giant Gamow-Teller resonance. This paper gives a report on the status of these experiments

Local hydrated structure of an Fe2+/Fe3+ aqueous solution: an investigation using a combination of molecular dynamics and X-ray absorption fine structure methods

International Nuclear Information System (INIS)

Ye Qing; Zhou Jing; Zhao Haifeng; Chen Xing; Chu Wangsheng; Zheng Xusheng; Marcelli, Augusto; Wu Ziyu

2013-01-01

The hydrated shell of both Fe 2+ and Fe 3+ aqueous solutions are investigated by using the molecular dynamics (MD) and X-ray absorption structure (XAS) methods. The MD simulations show that the first hydrated shells of both Fe 2+ and Fe 3+ are characterized by a regular octahedron with an Fe-O distance of 2.08Å for Fe 2+ and 1.96Å for Fe 3+ , and rule out the occurrence of a Jahn-Teller distortion in the hydrated shell of an Fe 2+ aqueous solution. The corresponding X-ray absorption near edge fine structure (XANES) calculation successfully reproduces all features in the XANES spectra in Fe 2+ and Fe 3+ aqueous solution. A feature that is located at energy 1 eV higher than the white line (WL) in an Fe 3+ aqueous solution may be assigned to the contribution of the charge transfer. (authors)

Magnetic phase transition in layered inorganic-organic hybrid (C12H25NH3)2CuCl4

Science.gov (United States)

Bochalya, Madhu; Kumar, Sunil; Kanaujia, Pawan K.; Prakash, G. Vijaya

2018-05-01

Inorganic-organic (IO) hybrids are material systems which have become an interesting theme of research for physicist and chemists recently due to the possibility of engineering specific magnetic, thermal or optoelectronic properties by playing around with the transition metal, halides and the organic components. Our experiments on (C12H25NH3)2CuCl4 show that the system exhibits a long range ferromagnetic order below ˜11 K. In such an inorganic-organic hybrid system, Jahn-Teller distortion of the copper ions results into a weak ferromagnetic order as compared to the antiferromagnetic spin-spin exchange in the pure inorganic CuCl2 compound. Moreover, this particular hybrid system also exhibits photoluminescence when excited below absorption maximum related to charge transfer peak though the effect is much weaker as compared to that in extensively studied other MX4-based (M = Sn, Pb; X = Cl, Br, I) counterparts.

Structural features and electronic properties of group-III-, group-IV-, and group-V-doped Si nanocrystallites

International Nuclear Information System (INIS)

Ramos, L E; Degoli, Elena; Cantele, G; Ossicini, Stefano; Ninno, D; Furthmueller, J; Bechstedt, F

2007-01-01

We investigate the incorporation of group-III (B and Al), group-IV (C and Ge), and group-V (N and P) impurities in Si nanocrystallites. The structural features and electronic properties of doped Si nanocrystallites, which are faceted or spherical-like, are studied by means of an ab initio pseudopotential method including spin polarization. Jahn-Teller distortions occur in the neighborhood of the impurity sites and the bond lengths show a dependence on size and shape of the nanocrystallites. We find that the acceptor (group-III) and donor (group-V) levels become deep as the nanocrystallites become small. The energy difference between the spin-up and spin-down levels of group-III and group-V impurities decreases as the size of the Si nanocrystallite increases and tends to the value calculated for Si bulk. Doping with carbon introduces an impurity-related level in the energy gap of the Si nanocrystallites

Angle-resolved photoelectron spectroscopy of cyclopropane

Science.gov (United States)

Keller, P. R.; Taylor, J. W.; Carlson, Thomas A.; Whitley, T. A.; Grimm, F. A.

1985-10-01

The angular distribution parameter, β, determined for the valence orbitals (IP < 18 eV) of cyclopropane in the 10-30 eV photon energy range using dispersed polarized synchrotron radiation. The energy dependence of β for photoelectron energies between, 2 and 10 eV above threshold was found to be similar to those found previously for other σ orbitals. The effects of Jahn-Teller splitting on β for the 3e' orbital were found to be small but definitely present. The overall shape and magnitude of the β( hv) curve are, however, sufficiently for the different Jahn-Teller components that, for purposes of orbital assignments using β( hv) curves the shape and magnitude of the curves can be considered associated only with the initial state. Resonance photoionization features at a photon ener of ≈ 18 eV were observed in the 3e' and 3a' 1 orbitals and tentatively assigned to autoionization.

TmCd quadrupolar ordering and magnetic interactions

International Nuclear Information System (INIS)

Aleonard, R.; Morin, P.

1979-01-01

The paramagnetic compound TmCd crystallizes with the CsCl-type structure. Its Jahn-Teller behavior was first observed by Luethi and coworkers. We analyze here various physical properties with a pure-harmonic-elasticity model. The structural transition between cubic and tetragonal phases is now fully described (first-order character and temperature of occurrence) as well as the magnetic susceptibility, magnetization process, specific-heat, elastic-constant, and strain data. The relevant Hamiltonian takes into account the second-order magnetoelastic coupling and the quadrupolar exchange in addition to the cubic crystal field and the Heisenberg bilinear interactions. TmCd appears to be closely related to isomorphous TmZn and completes the illustration of the competition between bilinear and quadrupolar interactions occurring in some rare-earth intermetallics. In these two compounds, the quadrupolar exchange is many times stronger than the magnetoelastic coupling and the quadrupolar ordering then drives the structural transition. This situation is opposite to that occurring in (actual) Jahn-Teller compounds

Poschl-Teller potentials based solution to Hilbert's tenth problem Pöschl-Teller potentials based solution to Hilbert's tenth problem

Directory of Open Access Journals (Sweden)

Juan Ospina

2006-12-01

Full Text Available Hypercomputers compute functions or numbers, or more generally solve problems or carry out tasks, that cannot be computed or solved by a Turing machine. An adaptation of Tien D. Kieu¿s quantum hypercomputational algorithm is carried out for the dynamical algebra su(1, 1 of the Poschl-Teller potentials. The classically incomputable problem that is resolved with this hypercomputational algorithm is Hilbert¿s tenth problem. We indicated that an essential mathematical condition of these algorithms is the existence of infinitedimensional unitary irreducible representations of low dimensional dynamical algebras that allow the construction of coherent states of the Barut-Girardello type. In addition, we presented as a particular case of our hypercomputational algorithm on Poschl-Teller potentials, the hypercomputational algorithm on an infinite square well presented previously by the authors.Los hipercomputadores computan funciones o números, o en general solucionan problemas que no pueden ser computados o solucionados por una máquina de Turing. Se presenta una adaptación del algoritmo cuántico hipercomputacional propuesto por Tien D. Kieu, al álgebra dinámica su(1, 1 realizada en los potenciales Pöschl-Teller. El problema clásicamente incomputable que se resuelve con este algoritmo hipercomputacional es el d´ecimo problema de Hilbert. Se señala que una condición matemática fundamental para estos algoritmos es la existencia de una representación unitaria infinito dimensional irreducible de álgebras de baja dimensión que admitan la construcción de estados coherentes del tipo Barut-Girardello. Adicionalmente se presenta como caso límite del algoritmo propuesto sobre los potenciales Pöschl-Teller, el algoritmo hipercomputacional sobre la caja de potencial infinita construido previamente por los autores.

Deep subcritical levels measurements dependents upon kinetic distortion factors

International Nuclear Information System (INIS)

Pan Shibiao; Li Xiang; Fu Guo'en; Huang Liyuan; Mu Keliang

2013-01-01

The measurement of deep subcritical levels, with the increase of subcriticality, showed that the results impact on the kinetic distortion effect, along with neutron flux strongly deteriorated. Using the diffusion theory, calculations have been carried out to quantify the kinetic distortion correction factors in subcritical systems, and these indicate that epithermal neutron distributions are strongly affected by kinetic distortion. Subcriticality measurements in four different rod-state combination at the zero power device was carried out. The test data analysis shows that, with increasing subcriticality, kinetic distortion effect correction factor gradually increases from 1.052 to 1.065, corresponding reactive correction amount of 0.78β eff ∼ 3.01β eff . Thus, it is necessary to consider the kinetic distortion effect in the deep subcritical reactivity measurements. (authors)

Theory of X-ray scattering by strongly distorted aging alloys with lamellar distribution of inclusions

International Nuclear Information System (INIS)

Barabash, R.I.; Krivoglaz, M.A.; AN Ukrainskoj SSR, Kiev. Inst. Metallofiziki)

1981-01-01

The X-ray scattering by strongly distorted heterogeneous alloys containing inclusions of new phase particles is discussed. Two models describing the lamellar structure with various orientation of inclusion axes in different layers are studied. In the first model the dimensions of inclusions are small in comparison with the layer thickness and they are randomly distributed in it, in the second model lamellar inclusions stretch through the whole layer. It is shown that in both models the Debye broadened line intensity distribution consists of overlapping Lorentz curves. A case of inclusions oriented along directions [100] and layers perpendicular to axes [110] is analyzed in detail. The results obtained for this case are compared with experimental results for the Cu-Be alloy

The Hintermann-Merlini-Baxter-Wu and the infinite-coupling-limit Ashkin-Teller models

Energy Technology Data Exchange (ETDEWEB)

Huang Yuan, E-mail: huangy22@mail.ustc.edu.cn [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Deng Youjin, E-mail: yjdeng@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Jacobsen, Jesper Lykke, E-mail: jacobsen@lpt.ens.fr [Laboratoire de Physique Theorique, Ecole Normale Superieure, 24 rue Lhomond, 75231 Paris (France); Universite Pierre et Marie Curie, 4 place Jussieu, 75252 Paris (France); Salas, Jesus, E-mail: jsalas@math.uc3m.es [Grupo de Modelizacion, Simulacion Numerica y Matematica Industrial, Universidad Carlos III de Madrid, Avda. de la Universidad 30, 28911 Leganes (Spain); Grupo de Teorias de Campos y Fisica Estadistica, Instituto Gregorio Millan, Universidad Carlos III de Madrid, Unidad asociada al IEM-CSIC, Madrid (Spain)

2013-03-11

We show how the Hintermann-Merlini-Baxter-Wu model (which is a generalization of the well-known Baxter-Wu model to a general Eulerian triangulation) can be mapped onto a particular infinite-coupling-limit of the Ashkin-Teller model. We work out some mappings among these models, also including the standard and mixed Ashkin-Teller models. Finally, we compute the phase diagram of the infinite-coupling-limit Ashkin-Teller model on the square, triangular, hexagonal, and kagome lattices.

Numerical study of the spin-1 Ashkin-Teller model

International Nuclear Information System (INIS)

Bekhechi, S.; Badehdah, M.; Benyoussef, A.; Ettaki, B.

1998-07-01

Two non perturbative methods by means of the Transfer-Matrix Finite-Size-Scaling (TMFSS) and Monte Carlo (MC) simulations are used to investigate the spin-1 Ashkin-Teller model (A.T.M.). We have obtained rich phase diagrams with first and second order phase transitions with several multicritical points of higher order. Also this model exhibits a new partially ordered phase PO2 which does not exist in the spin-1/2 Ashkin-Teller model (A.T.M.). Finally, the critical behaviour of this model is discussed. (author)

Studies on strain relaxation of La{sub 0.5}Ba{sub 0.5}MnO{sub 3} film by normal and grazing incidence X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Wang, Haiou [Hangzhou Dianzi University, Institute of Materials Physics, Hangzhou (China); Tan, Weishi [Hunan City University, College of Communication and Electronic Engineering, Yiyang (China); Nanjing University of Science and Technology, Key Laboratory of Soft Chemistry and Functional Materials, Department of Applied Physics, Ministry of Education, Nanjing (China); Liu, Hao [Suzhou Institute of Industrial Technology, Department of Electronic and Communication Engineering, Suzhou (China); Cao, Mengxiong; Wang, Xingyu; Ma, Chunlin [Nanjing University of Science and Technology, Key Laboratory of Soft Chemistry and Functional Materials, Department of Applied Physics, Ministry of Education, Nanjing (China); Jia, Quanjie [The Chinese Academy of Sciences, Institute of High Energy Physics, Beijing (China)

2017-03-15

Perovskite manganite La{sub 0.5}Ba{sub 0.5}MnO{sub 3} (LBMO) films were deposited on (001)-oriented single-crystal SrTiO{sub 3} (STO) substrates by pulsed laser deposition. High-resolution X-ray diffraction and grazing incidence X-ray diffraction techniques were applied to characterize the crystal structure and lattice strain of LBMO films. The in-plane and out-of-plane growth orientations of LBMO films with respect to substrate surface have been studied. The epitaxial orientation relationship LBMO (001) [100] //STO (001) [100] exists at the LBMO/STO interface. The lattice strain of LBMO film begins to relax with the thickness of LBMO film up to 12 nm. When the thickness is further increased up to 43 nm, the film is in fully strain-relaxed state. Jahn-Teller strain plays an important role in LBMO/STO system. The mechanism for strain relaxation is in accordance with that of tetragonal distortion. (orig.)

Study of the motion of electrons in non polar classical liquids. Measurement of Hall effect and f.i.r. search for low energy traps. Progress report

International Nuclear Information System (INIS)

1981-01-01

Progress is reported on experiments aimed at the measurement of the Hall mobility of injected electrons in classical non polar insulating liquids and the optical absorption associated with electrons captured by shallow traps in the liquefied rare gases. Theoretical work aimed at a better understanding of the trapping kinetics of electrons by SF 6 and O 2 dissolved in rare gas liquids was also carried out. Its conclusion is that the electric field dependence of the trapping probability can be explained, basically without adjustable parameters, by considering the Poole-Frenkel-Schotky ionization of the excited state of the traps. From the analysis of published data on the motion of electrons in liquid ethane it is tentatively concluded that at low temperatures the trapping of electrons in the liquid involves a Jahn-Teller like distortion of a single ethane molecule while at higher temperatures it is necessary to consider a small molecular cluster, possibly made up of 2 molecules

Prediction of Intrinsic Ferromagnetic Ferroelectricity in a Transition-Metal Halide Monolayer

Science.gov (United States)

Huang, Chengxi; Du, Yongping; Wu, Haiping; Xiang, Hongjun; Deng, Kaiming; Kan, Erjun

2018-04-01

The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multistate data storage. Although multiferroics have been broadly studied for decades, ferromagnetic ferroelectricity is rarely explored, especially in two-dimensional (2D) systems. Here we report the discovery of 2D ferromagnetic ferroelectricity in layered transition-metal halide systems. On the basis of first-principles calculations, we reveal that a charged CrBr3 monolayer exhibits in-plane multiferroicity, which is ensured by the combination of orbital and charge ordering as realized by the asymmetric Jahn-Teller distortions of octahedral Cr - Br6 units. As an example, we further show that (CrBr3)2Li is a ferromagnetic ferroelectric multiferroic. The explored phenomena and mechanism of multiferroics in this 2D system not only are useful for fundamental research in multiferroics but also enable a wide range of applications in nanodevices.

Enhanced magnetic anisotropies of single transition-metal adatoms on a defective MoS2 monolayer.

Science.gov (United States)

Cong, W T; Tang, Z; Zhao, X G; Chu, J H

2015-03-23

Single magnetic atoms absorbed on an atomically thin layer represent the ultimate limit of bit miniaturization for data storage. To approach the limit, a critical step is to find an appropriate material system with high chemical stability and large magnetic anisotropic energy. Here, on the basis of first-principles calculations and the spin-orbit coupling theory, it is elucidated that the transition-metal Mn and Fe atoms absorbed on disulfur vacancies of MoS2 monolayers are very promising candidates. It is analysed that these absorption systems are of not only high chemical stabilities but also much enhanced magnetic anisotropies and particularly the easy magnetization axis is changed from the in-plane one for Mn to the out-of-plane one for Fe by a symmetry-lowering Jahn-Teller distortion. The results point out a promising direction to achieve the ultimate goal of single adatomic magnets with utilizing the defective atomically thin layers.

Dynamically fluctuating electric dipole moments in fullerene-based magnets.

Science.gov (United States)

Kambe, Takashi; Oshima, Kokichi

2014-09-19

We report here the direct evidence of the existence of a permanent electric dipole moment in both crystal phases of a fullerene-based magnet--the ferromagnetic α-phase and the antiferromagnetic α'-phase of tetra-kis-(dimethylamino)-ethylene-C60 (TDAE-C60)--as determined by dielectric measurements. We propose that the permanent electric dipole originates from the pairing of a TDAE molecule with surrounding C60 molecules. The two polymorphs exhibit clear differences in their dielectric responses at room temperature and during the freezing process with dynamically fluctuating electric dipole moments, although no difference in their room-temperature structures has been previously observed. This result implies that two polymorphs have different local environment around the molecules. In particular, the ferromagnetism of the α-phase is founded on the homogeneous molecule displacement and orientational ordering. The formation of the different phases with respect to the different rotational states in the Jahn-Teller distorted C60s is also discussed.

Effect of strong-focusing field distortions on particle motion in a linear accelerator

International Nuclear Information System (INIS)

Bondarev, B.I.; Durkin, A.P.; Solov'ev, L.Yu.

1979-01-01

The increased sensitivity of quadrupole focusing channel used in the highenergetic part of the linear accelerator makes it necessary to pay serious attention to the effect of various distortions of focusing fields on the transverse motion of the beam. The distortions may cause the inadmissible losses of particles in the accelerator. To achieve this aim the main equation of disturbed motion of particles in the linear accelerator, obtained by analogy with the cyclic accelerator theory is presented. The investigation of the solutions of this equation has permitted to obtain the analytical formulas for the estimation of the beam size increase under the effect of focusing field distortions of various types, such as structural non-linearity, gradient errors, random non-linearity, channel axis deformation. While studying the effect of structural non-linearity considered are the resonance effects and obtained are the relations describing the maximum beam size increase in the channel of the linear accelerator in the presence and in the absence of the resonance

Anisotropy barrier reduction in fast-relaxing Mn12 single-molecule magnets

Science.gov (United States)

Hill, Stephen; Murugesu, Muralee; Christou, George

2009-11-01

An angle-swept high-frequency electron paramagnetic resonance (HFEPR) technique is described that facilitates efficient in situ alignment of single-crystal samples containing low-symmetry magnetic species such as single-molecule magnets (SMMs). This cavity-based technique involves recording HFEPR spectra at fixed frequency and field, while sweeping the applied field orientation. The method is applied to the study of a low-symmetry Jahn-Teller variant of the extensively studied spin S=10 Mn12 SMMs (e.g., Mn12 -acetate). The low-symmetry complex also exhibits SMM behavior, but with a significantly reduced effective barrier to magnetization reversal (Ueff≈43K) and, hence, faster relaxation at low temperature in comparison with the higher-symmetry species. Mn12 complexes that crystallize in lower symmetry structures exhibit a tendency for one or more of the Jahn-Teller axes associated with the MnIII atoms to be abnormally oriented, which is believed to be the cause of the faster relaxation. An extensive multi-high-frequency angle-swept and field-swept electron paramagnetic resonance study of [Mn12O12(O2CCH2But)16(H2O)4]ṡCH2Cl2ṡMeNO2 is presented in order to examine the influence of the abnormally oriented Jahn-Teller axis on the effective barrier to magnetization reversal. The reduction in the axial anisotropy, D , is found to be insufficient to account for the nearly 40% reduction in Ueff . However, the reduced symmetry of the Mn12 core gives rise to a very significant second-order transverse (rhombic) zero-field-splitting anisotropy, E≈D/6 . This, in turn, causes a significant mixing of spin projection states well below the top of the classical anisotropy barrier. Thus, magnetic quantum tunneling is the dominant factor contributing to the effective barrier reduction in fast relaxing Mn12 SMMs.

APPLICATION OF QUEUING THEORY TO AUTOMATED TELLER MACHINE (ATM) FACILITIES USING MONTE CARLO SIMULATION

OpenAIRE

UDOANYA RAYMOND MANUEL; ANIEKAN OFFIONG

2014-01-01

This paper presents the importance of applying queuing theory to the Automated Teller Machine (ATM) using Monte Carlo Simulation in order to determine, control and manage the level of queuing congestion found within the Automated Teller Machine (ATM) centre in Nigeria and also it contains the empirical data analysis of the queuing systems obtained at the Automated Teller Machine (ATM) located within the Bank premises for a period of three (3) months. Monte Carlo Simulation is applied to th...

Excitations and relaxation dynamics in multiferroic GeV4S8 studied by terahertz and dielectric spectroscopy

Science.gov (United States)

Reschke, S.; Wang, Zhe; Mayr, F.; Ruff, E.; Lunkenheimer, P.; Tsurkan, V.; Loidl, A.

2017-10-01

We report on THz time-domain spectroscopy on multiferroic GeV4S8 , which undergoes orbital ordering at a Jahn-Teller transition at 30.5 K and exhibits antiferromagnetic order below 14.6 K. The THz experiments are complemented by dielectric experiments at audio and radio frequencies. We identify a low-lying excitation close to 0.5 THz, which is only weakly temperature dependent and probably corresponds to a molecular excitation within the electronic level scheme of the V4 clusters. In addition, we detect complex temperature-dependent behavior of a low-lying phononic excitation, closely linked to the onset of orbitally driven ferroelectricity. In the high-temperature cubic phase, which is paramagnetic and orbitally disordered, this excitation is of relaxational character becomes an overdamped Lorentzian mode in the orbitally ordered phase below the Jahn-Teller transition, and finally appears as well-defined phonon excitation in the antiferromagnetic state. Abrupt changes in the real and imaginary parts of the complex dielectric permittivity show that orbital ordering appears via a structural phase transition with strong first-order character and that the onset of antiferromagnetic order is accompanied by significant structural changes, which are of first-order character, too. Dielectric spectroscopy documents that at low frequencies, significant dipolar relaxations are present in the orbitally ordered, paramagnetic phase only. In contrast to the closely related GaV4S8 , this relaxation dynamics that most likely mirrors coupled orbital and polar fluctuations does not seem to be related to the dynamic processes detected in the THz regime.

Optimal capacity of Ashkin-Teller neural networks

International Nuclear Information System (INIS)

Kozleowski, P.; Bolle, D.

2001-01-01

The maximal capacity per number of couplings is calculated for Ashkin-Teller type neural networks using a replica-symmetric Gardner approach. The results are compared with numerical simulations. The best value obtained at κ=0 is α c =2.26±0.01

Crystallographic and magnetic properties of Ba/sub 2/(UCu)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Padel, L; Poix, P [Paris-11 Univ., 91 - Orsay (France)

1975-07-07

Ba/sub 2/(UCu)O/sub 6/ structure can be described by a tetragonal unit cell whose parameters are a=5.777A and c=8.838A. Tetragonal distorsion is attributed to the Jahn-Teller effect of Cu/sup 2 +/; Copper octahedral sites are irregular. The compound presents antiferromagnetic properties with a Neel's temperature of 13K.

Superconductivity and fast proton transport in nanoconfined water

Science.gov (United States)

Johnson, K. H.

2018-04-01

A real-space molecular-orbital density-wave description of Cooper pairing in conjunction with the dynamic Jahn-Teller mechanism for high-Tc superconductivity predicts that electron-doped water confined to the nanoscale environment of a carbon nanotube or biological macromolecule should superconduct below and exhibit fast proton transport above the transition temperature, Tc ≅ 230 K (-43 °C).

A SURVEY OF AUTOMATED TELLER MACHINE USAGE IN NORTH INDIA

OpenAIRE

Shweta Sankhwar*1 & Dhirendra Pandey2

2017-01-01

A machine that hand out cash or executes several banking services at a swipe of Automated Teller Machine (ATM) card in it. An ATM is a machine is use to withdraw cash using a debit card issued by a bank to the consumer(s). An ATM card is issued by a financial organization that permits user to access an Automated Teller Machine (ATM) such as to deposit amount, cash withdrawals, to check account information, etc. It is now preferred to cash by a large majority of the urban population in many ci...

customer-teller scheduling system for optimizing banks service

African Journals Online (AJOL)

els Bank Teller scheduling system for optimizing a Banks customer service. The model takes into account real time .... tinuous observation by management personnel and thus results in .... relationships in a mathematical model. A mathematical ...

Band Gap Distortion in Semiconductors Strongly Driven by Intense Mid-Infrared Laser Fields

Science.gov (United States)

Kono, J.; Chin, A. H.

2000-03-01

Crystalline solids non-resonantly driven by intense time-periodic electric fields are predicted to exhibit unusual band-gap distortion.(e.g., Y. Yacoby, Phys. Rev. 169, 610 (1968); L.C.M. Miranda, Solid State Commun. 45, 783 (1983); J.Z. Kaminski, Acta Physica Polonica A 83, 495(1993).) Such non-perturbative effects have not been observed to date because of the unavoidable sample damage due to the very high intensity required using conventional lasers ( 1 eV photon energy). Here, we report the first clear evidence of laser-induced bandgap shrinkage in semiconductors under intense mid-infrared (MIR) laser fields. The use of long-wavelength light reduces the required intensity and prohibits strong interband absorption, thereby avoiding the damage problem. The significant sub-bandgap absorption persists only during the existence of the MIR laser pulse, indicating the virtual nature of the effect. We show that this particular example of non-perturbative behavior, known as the dynamical Franz-Keldysh effect, occurs when the effective ponderomotive potential energy is comparable to the photon energy of the applied field. This work was supported by ONR, NSF, JST and NEDO.

The evolution of costly mate choice against segregation distorters.

Science.gov (United States)

Manser, Andri; Lindholm, Anna K; Weissing, Franz J

2017-12-01

The evolution of female preference for male genetic quality remains a controversial topic in sexual selection research. One well-known problem, known as the lek paradox, lies in understanding how variation in genetic quality is maintained in spite of natural selection and sexual selection against low-quality alleles. Here, we theoretically investigate a scenario where females pay a direct fitness cost to avoid males carrying an autosomal segregation distorter. We show that preference evolution is greatly facilitated under such circumstances. Because the distorter is transmitted in a non-Mendelian fashion, it can be maintained in the population despite directional sexual selection. The preference helps females avoid fitness costs associated with the distorter. Interestingly, we find that preference evolution is limited if the choice allele induces a very strong preference or if distortion is very strong. Moreover, the preference can only persist in the presence of a signal that reliably indicates a male's distorter genotype. Hence, even in a system where the lek paradox does not play a major role, costly preferences can only spread under specific circumstances. We discuss the importance of distorter systems for the evolution of costly female choice and potential implications for the use of artificial distorters in pest control. © 2017 The Author(s). Evolution © 2017 The Society for the Study of Evolution.

Distortion

OpenAIRE

Schultz, Isabella Odorico; Zmylon, Nanna Nielsen; Britze, Juliane

2014-01-01

This paper investigates the audience’s perception of the music festival Distortion. By conducting a field-study focusing on the subject’s perception of Distortion, their perception of the Distortion-attendants, and their perception on the promotion of Distortion, the paper will relate the audience perception to the promotion of the event. Using the group’s own research on the promotion of Distortion, the paper points out both the consistencies and the inconsistencies between the promotion and...

Judging Edward Teller: A Closer Look at One of the Most Influential Scientists of the Twentieth Century

Energy Technology Data Exchange (ETDEWEB)

Libby, S B

2010-12-29

Much has been written about Edward TEller, but little of it is objective. Given, on the one hand, his position as one of the most inventive theoretical physicists of the 20th century, and on the other, his central role in the development and advocacy of thermonuclear weapons, one might imagine it impossible at this point in history to write a scholarly, impartial account of Teller's life and his impact. Now, however, Istvan Hargittai, a prominent Hungarian physical chemist and historian of science, has written a balanced, thoughtful, and beautifully research biography that comes closest. Hargittai is uniquely qualified for this difficult task. Coming a generation and a half later from a similar Hungarian-Jewish background, Hargittai understands well the influences and terrible events that shaped Teller. The advent of virulent, political anti-Semitism, first in Hungary and then in Germany, made Teller twice a refugee. Both Teller and Hargittai lost close family in the Holocaust; Hargittai was himself liberated from a Nazi concentration camp as a child. While Teller was in the US by then, his and Hargittai's surviving family members in Hungary suffered mistreatment at the hands of the postwar Hungarian Communist dictatorship. Hargittai's informed Eastern European perspective also provides a fresh viewpoint to the cold war context of the second half of Teller's career. Furthermore, Hargittai's own scientific work in molecular structure clearly makes him appreciate of Teller's breakthroughs in that field in the 1930s.

Gamow-Teller decay and nuclear deformation: implementing of a new total absorption spectrometer, study of isotopes N ≅ Z krypton and strontium

International Nuclear Information System (INIS)

Poirier, E.

2002-12-01

Nuclei with A ∼ 70 along the N=Z line are known to be the scene of phenomena closely related to the nuclear deformation and are of particular interest since theoretical mean field calculations predict that a large part of the Gamow-Teller resonance might be located below the ground state of the mother nucleus and then be accessible through β-decay studies. These results have shown the effect of the shape of the ground state on the intensity of the Gamow-Teller strength. Thus, the experimental determination, through δ-decay, of the Gamow-Teller strength distribution and the comparison to the theoretical predictions allow to pin down the quadrupolar deformation parameter of the ground state of the parent nucleus. In order to study the neutron deficient isotopes of krypton (A=72,73,74,75) and strontium (A=76,77,78) and to establish the β-strength on the full energy range, a new total absorption spectrometer (TAgS) has been built in the frame of an international collaboration and installed at the (SOLDE/CERN mass separator. For the data analysis, the response function R of the spectrometer has been calculated by means of Monte-Carlo simulations, based on the GEANT4 code, and of a statistical description of the level scheme in the daughter nucleus. The β-feeding distribution has been obtained from experimental spectra through a method based on Bayes theorem and then converted into Gamow-Teller strength. The results coming from the 74 Kr decay analysis allow to describe the ground state of such a nucleus as the coexistence of an oblate shape and of a prolate shape. In the case of 76 Sr, the experimental Gamow-Teller strength distribution strongly indicates a prolate deformation. (author)

Thermoelectric Power and Normal State of the High - Tc Copper Oxides

International Nuclear Information System (INIS)

Goodenough, J.B.; Zhou, J.S.; Besuker, G.I.

1995-01-01

The temperature dependence of the thermoelectric power and resistance for the system La 2-x Sr x CuO 4 , 0≤ x ≤0.30, are presented and interpreted. The following model emerges: (1) In the underdoped region 0 2 sheets by Sr substitution form non-adiabatic large polarons containing 6 ± 1 Cu atoms; a cooperative pseudo Jahn-Teller vibronic coupling increases the size of the polaron, but a contraction of the equilibrium Cu-O distance inside the polaron limits the size. Polaron motion occurs via a tunneling of one Cu - O bond at a time. A dynamic segregation into a hole-poor parent phase and a hole-rich superconductive phase occurs below 150K. (2) The range 0.10 2 sheet. In the polaron liquid, pairs of polarons form zig-zag polaron chains; these chains form an ordered array of alternating polaron and parent-phase stripes. Complete ordering of the stripes occurs below Tc. (4) In the overdoped region x>0.27, polaron overcrowding suppresses polaron formation; however, the vibronic coupling stabilized by the dynamic pseudo Jahn -Teller deformations persists to give unusual properties to the overdoped metallic phase. (author)

Penentuan Jumlah Teller Optimum Dengan Menggunakan Teknik Simulasi ProModel di PT Bank Sumut Cabang Utama Medan

OpenAIRE

Handoko, Rio

2012-01-01

Sistem antrian yang diterapkan pada PT. Bank Sumut Cabang Utama Medan menerapkan sistem antrian FIFO / FCFS (First Come First Serve. Pada PT. Bank Sumut Cabang Utama Medan terdapat sepuluh teller atau server yang bertugas melayani pelanggan. Setiap pelanggan yang datang wajib mengambil nomor antrian kemudian menunggu untuk dipanggil oleh teller yang kosong dan kemudian melakukan transaksi. Teller yang telah selesai melayani satu pelanggan kemudian menekan tombol agar antrian berikutnya dapat ...

96 THE EFFECT OF AUTOMATED TELLER MACHINES ON BANKS ...

African Journals Online (AJOL)

reduces the number of human deployment by banks thereby reducing cost of operations. ... United States (PLUS and CIRRUS) drooped their long standing opposition to allowing ..... Automated teller machine network pricing – A review of the.

Unusual behavior of uranium dioxide at high magnetic fields. Part I

Science.gov (United States)

Gofryk, K.; Jaime, M.; Zapf, V.; Harrison, N.; Saul, A.; Radtke, G.; Lashley, J. C.; Salamon, M.; Andersson, A. D.; Stanek, C.; Durakiewicz, T.; Smith, J. L.

UO2 is a Mott-Hubbard insulator with well-localized 5 f-electrons and its crystal structure is the face-centered-cubic fluorite. It experiences a first-order antiferromagnetic phase transition at 30.8 K to a non-collinear antiferromagnetic structure that remains a topic of debate. It is believed that the first order nature of the transition results from the competition between the exchange interaction and the Jahn-Teller distortion of oxygen atoms. Despite extensive experimental and theoretical efforts the nature of the competing degrees of freedom and their couplings (such as spin-phonon coupling) are still unclear. Here we present results of our extensive thermodynamic investigations, on well-characterized and oriented single crystals of UO2, focusing on magnetization M(T,H) measurements in DC and pulsed magnetic fields to up 65 T at the NHMFL. Work supported by the Department of Energy, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division. The NHMFL Pulsed Field Facility is supported by the NSF, the U.S. D.O.E., and the State of Florida through NSF cooperative Grant DMR.

High pressure effects on a trimetallic Mn(II/III) SMM.

Science.gov (United States)

Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V; Moggach, Stephen A; Lennie, Alistair R; Warren, John E; Murrie, Mark; Parsons, Simon; Brechin, Euan K

2009-09-28

A combined study of the high pressure crystallography and high pressure magnetism of the complex [Mn3(Hcht)2(bpy)4](ClO4)3.Et2O.2MeCN (1.Et2O.2MeCN) (H3cht is cis,cis-1,3,5-cyclohexanetriol) is presented in an attempt to observe and correlate pressure induced changes in its structural and physical properties. At 0.16 GPa the complex 1.Et2O.2MeCN loses all associated solvent in the crystal lattice, becoming 1. At higher pressures structural distortions occur changing the distances between the metal centres and the bridging oxygen atoms making the magnetic exchange between the manganese ions weaker. No significant variations are observed in the Jahn-Teller axis of the only Mn(III) present in the structure. High pressure dc chiMT plots display a gradual decrease in both the low temperature value and slope. Simulations show a decrease in J with increasing pressure although the ground state is preserved. Magnetisation data do not show any change in |D|.

Habit plane-driven P2-type manganese-based layered oxide as long cycling cathode for Na-ion batteries

Science.gov (United States)

Luo, Rui; Wu, Feng; Xie, Man; Ying, Yao; Zhou, Jiahui; Huang, Yongxin; Ye, Yusheng; Li, Li; Chen, RenJie

2018-04-01

Layered transition metal oxides are considered to be promising candidates as cathode materials for sodium-ion batteries. Herein, a facile solid-state reaction is developed to synthesize hexagons plate-like Na0.67Ni0.25Mn0.75O2+δ (denoted as P2-NNM) material with habit plane formed. The structure of this layered oxide is characterized by XRD, HR-TEM and SAED. The layered material delivers a high reversible capacity of 91.8 mAh g-1 at 0.2 C with a capacity retention of 94.4 % after 280 cycles, superior rate capability and long cycle life (84.2 % capacity retention after 1000 cycle). Ni2+ is an active ion and Ni doping alleviates the Jahn-Teller distortion, and Mn3+/Mn4+ coexist as Mn4+ is desired from the stability perspective. Particularly, CV and XPS results confirm these results. Moreover, the electrode exhibits a quasi-solid-solution reaction during the sodium extraction and insertion. This contribution demonstrates that P2-NNM is a promising cathode electrode for rechargeable long-life sodium-ion batteries.

Structure and reactivity of a mononuclear gold(II) complex

Science.gov (United States)

Preiß, Sebastian; Förster, Christoph; Otto, Sven; Bauer, Matthias; Müller, Patrick; Hinderberger, Dariush; Hashemi Haeri, Haleh; Carella, Luca; Heinze, Katja

2017-12-01

Mononuclear gold(II) complexes are very rare labile species. Transient gold(II) species have been suggested in homogeneous catalysis and in medical applications, but their geometric and electronic structures have remained essentially unexplored: even fundamental data, such as the ionic radius of gold(II), are unknown. Now, an unprecedentedly stable neutral gold(II) complex of a porphyrin derivative has been isolated, and its structural and spectroscopic features determined. The gold atom adopts a 2+2 coordination mode in between those of gold(III) (four-coordinate square planar) and gold(I) (two-coordinate linear), owing to a second-order Jahn-Teller distortion enabled by the relativistically lowered 6s orbital of gold. The reactivity of this gold(II) complex towards dioxygen, nitrosobenzene and acids is discussed. This study provides insight on the ionic radius of gold(II), and allows it to be placed within the homologous series of nd9 Cu/Ag/Au divalent ions and the 5d8/9/10 Pt/Au/Hg 'relativistic' triad in the periodic table.

Equilibrium Structure of Manganese Trifluoride (MnF3) Molecule

International Nuclear Information System (INIS)

Caliskan, M.

2004-01-01

The symmetry lowering in manganese trifluoride molecule due to Jahn-Teller distortion was demonstrated in both the experimental and computational results. The molecule does not have D 3 h (or C 3 v) symmetry, rather it has C 2 v symmetry it has been shown from electron-diffraction measurements, that even a molecule of D 3 h symmetry in its equilibrium geometry would appear as having C 3 v symmetry. The manganese trifluoride molecular structures is an example of concerted applications of electron diffraction experiment and computation. It was found two lower energy structures with C 2 v symmetry, one corresponding to the ground state and another corresponding to the transition state. In this work we have calculate the equilibrium structure of the MnF 3 in the C 2 v configuration using the Interionic Force Model. We have compared our results for equilibrium bond lengths and bond angles with measured values from electron diffraction and with the results of quantum chemical calculations. The agreement can be considered as very reasonable

Structural study of CaMn_1_−_xMo_xO_3 (0.08 ≤ x ≤ 0.12) system by neutron powder diffraction

International Nuclear Information System (INIS)

Supelano, G.I.; Parra Vargas, C.A.; Barón-González, A.J.; Sarmiento Santos, A.; Frontera, C.

2016-01-01

Neutron powder diffraction experiments and magnetic measurements in polycrystalline CaMn_1_−_xMo_xO_3 (x = 0.08, 0.10, 0.12) point towards a possible charge and orbital order in this system. The analysis of structural and magnetic data show that the samples present structural phase transformation from Pnma to P2_1/m space group and the system has a C-type antiferromagnetic configuration at low temperature. A detailed analysis of the bond distances signals a small Jahn-Teller distortion of only one (x = 0.08) or of the two Mn ions (x = 0.10, 0.12). We identify the partially occupied e_g orbitals and this explains the C-type magnetic structure. - Highlights: • CaMn_1_−_xMo_xO_3 (x = 0.08, 0.10, 0.12) is investigated by neutron powder diffraction. • Analysis of individual Mn-O distances demonstrates the apparition of orbital order. • By symmetry analysis, we find that the low temperature magnetic structure is C-type. • Magnetic interactions foreseen by the orbital order explain the magnetic structure.

Lorentz-Lorenz quenching for the Gamow-Teller sum rule

International Nuclear Information System (INIS)

Delorme, J.; Ericson, M.; Figureau, A.

1984-03-01

We investigate the modification of the Gamow-Teller sum rule brought in by nucleonic excitations. The general trend of the data is well reproduced. The value of the force which mixes nucleonic and nuclear excitations is discussed

Task clarification, performance feedback, and social praise: Procedures for improving the customer service of bank tellers.

Science.gov (United States)

Crowell, C R; Anderson, D C; Abel, D M; Sergio, J P

1988-01-01

Customer service for bank tellers was defined in terms of 11 verbal behavior categories. An audio-recording system was used to track the occurrence of behaviors in these categories for six retail banking tellers. Three behavior management interventions (task clarification, performance feedback, and social praise), applied in sequence, were designed to improve overall teller performance with regard to the behavioral categories targeted. Clarification was accomplished by providing clear delineation of the various target categories, with specific examples of the behaviors in each. Feedback entailed presentation of ongoing verbal and visual information regarding teller performance. Praise consisted of verbal recognition of teller performance by branch managers. Results showed that clarification effects emerged quickly, producing an overall increase in desired behaviors of 12% over baseline. Feedback and praise effects occurred more gradually, resulting in overall increases of 6% and 7%, respectively. A suspension of all procedures led to a decline in overall performance, whereas reinstatement of feedback and praise was again accompanied by performance improvement. These findings extend the generality of behavior management applications and help to distinguish between possible antecedent and consequent effects of performance feedback.

Probing electronic phase transitions with phonons via inelastic neutron scattering: superconductivity in borocarbides, charge and magnetic order in manganites

Energy Technology Data Exchange (ETDEWEB)

Weber, F.

2007-11-02

The present thesis concentrates on the signatures of strong electron-phonon coupling in phonon properties measured by inelastic neutron scattering. The inelastic neutron scattering experiments were performed on the triple-axis spectrometers 1T and DAS PUMA at the research reactors in Saclay (France) and Munich (Germany), respectively. The work is subdivided into two separate chapters: In the first part, we report measurements of the lattice dynamical properties, i.e. phonon frequency, linewidth and intensity, of the conventional, i.e. phonon-mediated, superconductor YNi{sub 2}B{sub 2}C of the rare-earth-borocarbide family. The detailed check of theoretical predictions for these properties, which were calculated in the theory group of our institute, was one major goal of this work. We measured phonons in the normal state, i.e. T>T{sub c}, for several high symmetry directions up to 70 meV. We were able to extract the full temperature dependence of the superconducting energy gap 2{delta}(T) from our phonon scans with such accuracy that even deviations from the weak coupling BCS behaviour could be clearly observed. By measuring phonons at different wave vectors we demonstrated that phonons are sensitive to the gap anisotropy under the precondition, that different phonons get their coupling strength from different parts of the Fermi surface. In the second part, we investigated the properties of Mn-O bond-stretching phonons in the bilayer manganite La{sub 2-2x}Sr{sub 1+2x}Mn{sub 2}O{sub 7}. At the doping level x=0.38 this compound has an ferromagnetic groundstate and exhibits the so-called colossal magnetoresistance effect in the vicinity of the Curie temperature T{sub C}. The atomic displacement patterns of the investigated phonons closely resemble possible Jahn-Teller distortions of the MnO{sub 6} octahedra, which are introduced in this compound by the Jahn-Teller active Mn{sup 3+} ions. We observed strong renormalizations of the phonon frequencies and clear peaks of

Probing electronic phase transitions with phonons via inelastic neutron scattering: superconductivity in borocarbides, charge and magnetic order in manganites

International Nuclear Information System (INIS)

Weber, F.

2007-01-01

The present thesis concentrates on the signatures of strong electron-phonon coupling in phonon properties measured by inelastic neutron scattering. The inelastic neutron scattering experiments were performed on the triple-axis spectrometers 1T and DAS PUMA at the research reactors in Saclay (France) and Munich (Germany), respectively. The work is subdivided into two separate chapters: In the first part, we report measurements of the lattice dynamical properties, i.e. phonon frequency, linewidth and intensity, of the conventional, i.e. phonon-mediated, superconductor YNi 2 B 2 C of the rare-earth-borocarbide family. The detailed check of theoretical predictions for these properties, which were calculated in the theory group of our institute, was one major goal of this work. We measured phonons in the normal state, i.e. T>T c , for several high symmetry directions up to 70 meV. We were able to extract the full temperature dependence of the superconducting energy gap 2Δ(T) from our phonon scans with such accuracy that even deviations from the weak coupling BCS behaviour could be clearly observed. By measuring phonons at different wave vectors we demonstrated that phonons are sensitive to the gap anisotropy under the precondition, that different phonons get their coupling strength from different parts of the Fermi surface. In the second part, we investigated the properties of Mn-O bond-stretching phonons in the bilayer manganite La 2-2x Sr 1+2x Mn 2 O 7 . At the doping level x=0.38 this compound has an ferromagnetic groundstate and exhibits the so-called colossal magnetoresistance effect in the vicinity of the Curie temperature T C . The atomic displacement patterns of the investigated phonons closely resemble possible Jahn-Teller distortions of the MnO 6 octahedra, which are introduced in this compound by the Jahn-Teller active Mn 3+ ions. We observed strong renormalizations of the phonon frequencies and clear peaks of the intrinsic phonon linewidth near the order

Vector neural net identifying many strongly distorted and correlated patterns

Science.gov (United States)

Kryzhanovsky, Boris V.; Mikaelian, Andrei L.; Fonarev, Anatoly B.

2005-01-01

We suggest an effective and simple algorithm providing a polynomial storage capacity of a network of the form M ~ N2s+1, where N is the dimension of the stored binary patterns. In this problem the value of the free parameter s is restricted by the inequalities N >> slnN >= 1. The algorithm allows us to identify a large number of highly distorted similar patterns. The negative influence of correlations of the patterns is suppressed by choosing a sufficiently large value of the parameter s. We show the efficiency of the algorithm by the example of a perceptron identifier, but it also can be used to increase the storage capacity of full connected systems of associative memory.

Benchmarking nuclear models for Gamow–Teller response

International Nuclear Information System (INIS)

Litvinova, E.; Brown, B.A.; Fang, D.-L.; Marketin, T.; Zegers, R.G.T.

2014-01-01

A comparative study of the nuclear Gamow–Teller response (GTR) within conceptually different state-of-the-art approaches is presented. Three nuclear microscopic models are considered: (i) the recently developed charge-exchange relativistic time blocking approximation (RTBA) based on the covariant density functional theory, (ii) the shell model (SM) with an extended “jj77” model space and (iii) the non-relativistic quasiparticle random-phase approximation (QRPA) with a Brueckner G-matrix effective interaction. We study the physics cases where two or all three of these models can be applied. The Gamow–Teller response functions are calculated for 208 Pb, 132 Sn and 78 Ni within both RTBA and QRPA. The strengths obtained for 208 Pb are compared to data that enable a firm model benchmarking. For the nucleus 132 Sn, also SM calculations are performed within the model space truncated at the level of a particle–hole (ph) coupled to vibration configurations. This allows a consistent comparison to the RTBA where ph⊗phonon coupling is responsible for the spreading width and considerable quenching of the GTR. Differences between the models and perspectives of their future developments are discussed.

Benchmarking nuclear models for Gamow–Teller response

Energy Technology Data Exchange (ETDEWEB)

Litvinova, E., E-mail: elena.litvinova@wmich.edu [Department of Physics, Western Michigan University, Kalamazoo, MI 49008-5252 (United States); National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Brown, B.A. [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1321 (United States); National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Fang, D.-L. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Joint Institute for Nuclear Astrophysics, Michigan State University, East Lansing, MI 48824-1321 (United States); Marketin, T. [Physics Department, Faculty of Science, University of Zagreb (Croatia); Zegers, R.G.T. [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1321 (United States); National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Joint Institute for Nuclear Astrophysics, Michigan State University, East Lansing, MI 48824-1321 (United States)

2014-03-07

A comparative study of the nuclear Gamow–Teller response (GTR) within conceptually different state-of-the-art approaches is presented. Three nuclear microscopic models are considered: (i) the recently developed charge-exchange relativistic time blocking approximation (RTBA) based on the covariant density functional theory, (ii) the shell model (SM) with an extended “jj77” model space and (iii) the non-relativistic quasiparticle random-phase approximation (QRPA) with a Brueckner G-matrix effective interaction. We study the physics cases where two or all three of these models can be applied. The Gamow–Teller response functions are calculated for {sup 208}Pb, {sup 132}Sn and {sup 78}Ni within both RTBA and QRPA. The strengths obtained for {sup 208}Pb are compared to data that enable a firm model benchmarking. For the nucleus {sup 132}Sn, also SM calculations are performed within the model space truncated at the level of a particle–hole (ph) coupled to vibration configurations. This allows a consistent comparison to the RTBA where ph⊗phonon coupling is responsible for the spreading width and considerable quenching of the GTR. Differences between the models and perspectives of their future developments are discussed.

Semi-classical behavior of Poschl-Teller coherent states

Czech Academy of Sciences Publication Activity Database

Bergeron, H.; Gazeau, J.P.; Siegl, Petr; Youssef, A.

2010-01-01

Roč. 92, č. 6 (2010), s. 60003 ISSN 0295-5075 R&D Projects: GA MŠk LC06002 Institutional research plan: CEZ:AV0Z10480505 Institutional support: RVO:61389005 Keywords : coherent states * Pöschl-Teller potential * quantization Subject RIV: BE - Theoretical Physics Impact factor: 2.753, year: 2010

Gamow-Teller decay and nuclear deformation: implementing of a new total absorption spectrometer, study of isotopes N {approx_equal} Z krypton and strontium; Decroissance Gamow-Teller et deformation nucleaire: mise en oeuvre d'un nouveau spectrometre a absorption totale, etude d'isotopes N {approx_equal} Z de krypton et strontium

Energy Technology Data Exchange (ETDEWEB)

Poirier, E

2002-12-01

Nuclei with A {approx} 70 along the N=Z line are known to be the scene of phenomena closely related to the nuclear deformation and are of particular interest since theoretical mean field calculations predict that a large part of the Gamow-Teller resonance might be located below the ground state of the mother nucleus and then be accessible through {beta}-decay studies. These results have shown the effect of the shape of the ground state on the intensity of the Gamow-Teller strength. Thus, the experimental determination, through {delta}-decay, of the Gamow-Teller strength distribution and the comparison to the theoretical predictions allow to pin down the quadrupolar deformation parameter of the ground state of the parent nucleus. In order to study the neutron deficient isotopes of krypton (A=72,73,74,75) and strontium (A=76,77,78) and to establish the {beta}-strength on the full energy range, a new total absorption spectrometer (TAgS) has been built in the frame of an international collaboration and installed at the (SOLDE/CERN mass separator. For the data analysis, the response function R of the spectrometer has been calculated by means of Monte-Carlo simulations, based on the GEANT4 code, and of a statistical description of the level scheme in the daughter nucleus. The {beta}-feeding distribution has been obtained from experimental spectra through a method based on Bayes theorem and then converted into Gamow-Teller strength. The results coming from the {sup 74}Kr decay analysis allow to describe the ground state of such a nucleus as the coexistence of an oblate shape and of a prolate shape. In the case of {sup 76}Sr, the experimental Gamow-Teller strength distribution strongly indicates a prolate deformation. (author)

One of My Favorite Assignments: Automated Teller Machine Simulation.

Science.gov (United States)

Oberman, Paul S.

2001-01-01

Describes an assignment for an introductory computer science class that requires the student to write a software program that simulates an automated teller machine. Highlights include an algorithm for the assignment; sample file contents; language features used; assignment variations; and discussion points. (LRW)

Structural and electrical properties of La{sub 0.5}Ca{sub 0.5}Mn{sub 0.95}Fe{sub 0.05}O{sub 3+{delta}} perovskite

Energy Technology Data Exchange (ETDEWEB)

Mohamed, E.A., E-mail: emanattamohammed@yahoo.com [Department of Physics, Faculty of Science (Girl' s Branch), Al Azhar University, Nasr City, Cairo (Egypt)

2012-12-05

Highlights: Black-Right-Pointing-Pointer La{sub 0.5}Ca{sub 0.5}Mn{sub 0.95}Fe{sub 0.05}O{sub 3+{delta}} synthesis has been achieved by co-precipitation process. Black-Right-Pointing-Pointer Moessbauer results show an evidence for the local distortion of Mn(Fe)O{sub 6} octahedron. Black-Right-Pointing-Pointer Metal-Semiconductor transition temperature (T{sub p}) is observed. - Abstract: La{sub 0.5}Ca{sub 0.5}Mn{sub 0.95}Fe{sub 0.05}O{sub 3+{delta}} was synthesized by co-precipitation method. The structure refinement by using the Rietveld method indicates that the sample was single phase with the presence of small impurities (Mn{sub 3}O{sub 4}) and crystallizes in an orthorhombic (Pbmn) structure. The room temperature (RT) Moessbauer spectrum shows clear evidence of the local structural distortion of the Mn(Fe)O{sub 6} octahedron on the basis of non-zero nuclear quadrupole interactions for high-spin Fe{sup 3+} ions. The Jahn-Teller coupling strength (E{sub JT}) was estimated from the Moessbauer results. Metal-Semiconductor transition temperature (T{sub p}) is observed at 80 K. At high temperature (T{sub P} < T < {theta}{sub D}/2) conductivity data satisfy the variable range hopping (VRH) model. For T > {theta}{sub D}/2 the small polaron hopping model is more appropriate than the VRH model.

Spectral intensities in cubic systems. II. The MoCl63- system in cubic elpasolite crystals

International Nuclear Information System (INIS)

Acevedo, R.; Meruane, T.; Poblete, V.

1998-01-01

The visible and near infrared luminescence spectra of MoCl 6 3- in Cs 2 NaMCl 6 (M=Sc, Y, In) and MoBr 6 3- in Cs 2 NaYBr 6 have been reported between 15000 cm -1 and 3000 cm -1 at liquid helium temperatures. It has been observed that each electronic transition shows an extensive and rich vibronic structure, which can be analysed to yield the vibrational frequencies of the MoX 6 3- ion in each electronic state. A through analysis of the spectra for these systems, show that the vibrational frequencies associated with each of the electronic transition is almost identical. This is an evidence of a weak or rather negligible Jahn-Teller distortions. The spectra though are strongly influenced by resonant interactions among the MoX 6 3- ion and the internal and lattice modes of the host lattices and there is also a noticeable variation of the relative vibronic distributions of parity forbidden transitions assisted by the odd parity normal modes of vibrations. This present work deals with the most likely intensity mechanisms and a strategy is put forward to carry out explicit calculations for both, the electronic and vibrational factors of transitions of the kind Γ 1 ↔ Γ 2 + v k for k=3, 4, and 6. Extension of this work to include the ion-phonon interaction is currently in progress in our laboratory. (Author)

A Theoretical Investigation of the Structure and Reactivity of the Molecular Constituents of Oil Sand and Oil Shale

Energy Technology Data Exchange (ETDEWEB)

Parish, Carol A. [Univ. of Richmond, VA (United States)

2016-11-28

standing interest in polyoligomeric silsesquioxane (POSS) molecules.^1-2 These molecules have recently been used as advanced surface coatings for photovoltaic devices and have potential as molecular-based energy storage devices as well as magnetically controllable liquid marbles.^3-5 We have been investigating the small molecule encapsulation properties of POSS and discovered some interesting symmetry breaking processes that need to be better understood in order to use POSS in advanced materials. We have investigated this symmetry breaking mechanism in POSS monocations Si8O12(C(CH3)3)8+ and Si8O12Cl8+, using density functional theory (DFT) and group theory. Under Oh symmetry, these ions possess 2T2g and 2Eg electronic states, respectively, and undergo different symmetry breaking mechanisms. The ground states of Si₈O₁₂(C(CH₃)₃)₈⁺ and Si₈O₁₂Cl₈⁺ belong to the C_3v and D_4h point groups and are characterized by Jahn-Teller stabilization energies of 3959 and 1328 cm-1, respectively, at the B3LYP/def2-SVP level of theory. The symmetry distortion mechanism in Si₈O₁₂Cl₈⁺ is Jahn-Teller type, whereas in Si₈O₁₂(C(CH₃)₃)₈⁺ the distortion is a combination of both Jahn-Teller and pseudo-Jahn-Teller effects. The distortion force acting in Si₈O₁₂(C(CH₃)₃)₈⁺ is mainly localized on one Si-(tert-butyl) group while in Si₈O₁₂Cl₈⁺ it is distributed over the oxygen atoms. The main distortion forces acting on the Si8O12 core arise from the coupling between the electronic state and the vibrational modes; identified as 9t_2g+1e_g+3a_2u for the Si₈O₁₂(C(CH₃)₃

Dynamics of the lattice and spins in the phase-separated manganite (Eu{sub 1−x}Gd{sub x}){sub 0.6}Sr{sub 0.4}MnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Taniguchi, Haruka, E-mail: tanig@iwate-u.ac.jp [Department of Physical Science and Materials Engineering, Iwate University, Morioka 020-8551 (Japan); Kimura, Daichi; Matsukawa, Michiaki; Inomata, Tasuku; Kobayashi, Satoru [Department of Physical Science and Materials Engineering, Iwate University, Morioka 020-8551 (Japan); Nimori, Shigeki [National Institute for Materials Science, Tsukuba 305-0047 (Japan); Suryanarayanan, Ramanathaan [Laboratoire de Physico-Chimie de l’Etat Solide, CNRS, UMR8182, Université Paris-Sud, 91405 Orsay (France)

2017-06-15

We investigated slow relaxations of the magnetostriction and residual magnetostriction of the phase-separated system (Eu{sub 1−x}Gd{sub x}){sub 0.6}Sr{sub 0.4}MnO{sub 3}, in which the metamagnetic transition from a paramagnetic insulating state to a ferromagnetic metallic state is accompanied by a lattice shrinkage. The relaxations are well fitted by a stretched exponential function, suggesting the strong frustration between the double exchange interaction and Jahn-Teller effect. We have revealed that the Gd substitution suppresses the frozen phase-separated phase at low temperatures and stabilizes the paramagnetic insulating state in the dynamic phase-separated phase at intermediate temperatures. The former origin would be the randomness effect and the latter would be the suppression of the double exchange interaction.

Giant Optical Polarization Rotation Induced by Spin-Orbit Coupling in Polarons

Science.gov (United States)

Casals, Blai; Cichelero, Rafael; García Fernández, Pablo; Junquera, Javier; Pesquera, David; Campoy-Quiles, Mariano; Infante, Ingrid C.; Sánchez, Florencio; Fontcuberta, Josep; Herranz, Gervasi

2016-07-01

We have uncovered a giant gyrotropic magneto-optical response for doped ferromagnetic manganite La2 /3Ca1 /3MnO3 around the near room-temperature paramagnetic-to-ferromagnetic transition. At odds with current wisdom, where this response is usually assumed to be fundamentally fixed by the electronic band structure, we point to the presence of small polarons as the driving force for this unexpected phenomenon. We explain the observed properties by the intricate interplay of mobility, Jahn-Teller effect, and spin-orbit coupling of small polarons. As magnetic polarons are ubiquitously inherent to many strongly correlated systems, our results provide an original, general pathway towards the generation of magnetic-responsive gigantic gyrotropic responses that may open novel avenues for magnetoelectric coupling beyond the conventional modulation of magnetization.

Enhancing the Current Automated Teller Machine (ATM) in Nigerian ...

African Journals Online (AJOL)

This is going to be achieved by creating another input device that collects the money into the ATM system, reads its denomination and either saves it or transfers it the required customer ... Keywords: Automated Teller Machine (ATM), Interswitch, Local Area Network (LAN), Wide Area Network (WAN), Telecommunication.

Distortion effects in pion-induced knock-out reactions

International Nuclear Information System (INIS)

Jain, B.K.

The cross-section for (π + ,π + p) reaction on 12 C is calculated in DWIA at 100 and 180 MeV incident energy. The effect of pion distortion is found to be strong. Around 180 MeV the effect is strongly absorptive while around 10O MeV it is mainly dispersive. (auth.)

Controllability of pure states for the Poeschl-Teller potential with a dynamical group SU(2)

International Nuclear Information System (INIS)

Dong, S.-H.; Tang Yu; Sun, G.-H.; Lara-Rosano, F.; Lozada-Cassou, M.

2005-01-01

The controllability of a quantum system for the modified Poeschl-Teller (MPT) potential with the discrete bound states is investigated. The creation and annihilation operators of this potential are constructed directly from the normalized wave function with the factorization method and associated to an su(2) algebra. It is shown that this quantum system with the nondegenerate discrete bound states can, in principle, be strongly completely controllable, i.e., the system eigenstates can be guided by the external field to approach arbitrarily close to a target state, which could be theoretically realized by the actions of the creation and annihilation operators on the ground state

Components of segregation distortion in Drosophila melanogaster

International Nuclear Information System (INIS)

Ganetzky, B.

1977-01-01

The segregation distorter (SD) complex is a naturally occurring meiotic drive system with the property that males heterozygous for an SD-bearing chromosome 2 and an SD+-bearing homolog transmit the SD-bearing chromosome almost exclusively. This distorted segregation is the consequence of an induced dysfunction of those sperm that receive the SD+ homolog. From previous studies, two loci have been implicated in this phenomenon: the Sd locus which is required to produce distortion, and the Responder (Rsp) locus that is the site at which Sd acts. There are two allelic alternatives of Rsp-sensitive (Rsp/sup sens/) and insensitive (Rsp/sup ins/); a chromosome carrying Rsp/sup ins/ is not distorted by SD. In the present study, the function and location of each of these elements was examined by a genetic and cytological characterization of x-ray-induced mutations at each locus. The results indicate the following: the Rsp locus is located in the proximal heterochromatin of 2R; a deletion for the Rsp locus renders a chromosome insensitive to distortion; the Sd locus is located to the left of pr (2-54.5), in the region from 37D2-D7 to 38A6-B2 of the salivary chromosome map; an SD chromosome deleted for Sd loses its ability to distort; there is another important component of the SD system, E(SD), in or near the proximal heterochromatin of 2L, that behaves as a strong enhancer of distortion. The results of these studies allow a reinterpretation of results from earlier analyses of the SD system and serve to limit the possible mechanisms to account for segregation distortion

Comment on "Histories and Horoscopes: The Ethnographer as Fortune-Teller."

Science.gov (United States)

Luttrell, Wendy

1998-01-01

Explores the analogy of the researcher as fortune teller and the parallels between research histories and horoscopes and discusses the tension between what the subject is and what he or she is imagined to be by others. (SLD)

Role of the momentum transfer in the quenching of the Gamow-Teller strength

Energy Technology Data Exchange (ETDEWEB)

Marketin, Tomislav [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany); Physics Department, Faculty of Science, University of Zagreb (Croatia); Martinez-Pinedo, Gabriel [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany); Paar, Nils; Vretenar, Dario [Physics Department, Faculty of Science, University of Zagreb (Croatia)

2012-07-01

A fully consistent calculation of the Gamow-Teller strength is presented, based on a microscopic theoretical framework. Nuclear ground state is determined using the relativistic Hartree-Bogolyubov (RHB) model with density dependent meson-nucleon coupling constants, and transition rates are calculated via proton-neutron relativistic quasiparticle RPA using the same interaction as in the RHB equations. The (p,n) probe has a similar spin-isospin operator structure to the Gamow-Teller (GT) operator. However, they become comparable only if the GT cross section is measured at a very small momentum transfer q. At higher momentum transfer the isovector spin monopole (IVSM) mode occurs, with the r{sup 2}{sigma}{tau} transition operator. Unlike the Gamow-Teller operator which excites only the 0{Dirac_h}{omega} transitions, the isovector spin monopole operator can also excite 2{Dirac_h}{omega} transitions and can change the strength distribution at high excitation energies. We explore the strength beyond the resonance, examine the effect of momentum transfer on the total strength and compare the results with recent measurements.

Electrochemical Performance of LixMn2-yFeyO4-zClz Synthesized Through In-Situ Glycine Nitrate Combustion

Science.gov (United States)

2016-06-13

Electrochemical Performance of LixMn2-yFeyO4-zClz Synthesized Through In-Situ Glycine Nitrate Combustion Ashley L. Ruth, Paula C. Latorre, and...sites as well as the formation of Mn3+ ions via the Jahn- Teller effect. The use of the glycine nitrate combustion synthesis produces small particles at...advantage of submicron ceramic synthesis, namely the glycine nitrate combustion process (GNP), we propose the capability for in-situ B-site doping

Quantum fluctuations of D5d polarons on C60 molecules

International Nuclear Information System (INIS)

Wang Chui-Lin; Wang Wenzheng; Liu Yuliang; Su Zhaobin; Yu Lu.

1994-06-01

The dynamic Jahn-Teller splitting of the six equivalent D 5d polarons due to quantum fluctuations is studied in the framework of the Bogoliubov-de Gennes formalism. The tunneling induced level splittings are determined to be 2 T 1u + 2 T 2u and 1 A g + 1 H g for C 1- 60 and C -2 60 , respectively, which should give rise to observable effects in experiments. (author). 17 refs, 2 tabs

The effect of automated teller machines on banks' services in Nigeria

African Journals Online (AJOL)

AFRICAN JOURNALS ONLINE (AJOL) · Journals · Advanced Search ... work is to find out the effects of Automated Teller Machines (ATM) on Bank's services. ... used by successful organizations for gaining competitive advantage over others.

Visualization and spectral synthesis of rotationally distorted stars

International Nuclear Information System (INIS)

Dall, T H; Sbordone, L

2011-01-01

Simple spherical, non-rotating stellar models are inadequate when describing real stars in the limit of very fast rotation: Both the observable spectrum and the geometrical shape of the star deviate strongly from simple models. We attempt to approach the problem of modeling geometrically distorted, rapidly rotating stars from a new angle: By constructing distorted geometrical models and integrating standard stellar models with varying temperature, gravity, and abundances, over the entire surface, we attempt a semi-empirical approach to modeling. Here we present our methodology, and present simple examples of applications.

Star wars and strategic defense initiatives: work activity and health symptoms of unionized bank tellers during work reorganization.

Science.gov (United States)

Seifert, A M; Messing, K; Dumais, L

1997-01-01

Work activity and health symptoms of bank tellers whose work was undergoing reorganization were examined during a university-union study of the health effects of work in women's traditional jobs. Data were gathered through collective and individual interviews, analysis of work activity, and a questionnaire administered to 305 tellers. Employees worked in a standing posture over 80 percent of the time. More than two-thirds frequently suffered pain in back, legs, and feet. The average teller had been involved in 3.7 robberies as a direct victim and six as a witness. Work required feats of memory and concentration. In order to meet job demands, tellers engaged in supportive activities and teamwork. The introduction of individualized objectives threatened the employees' ability to collaborate and induced distress. More than twice as many tellers as other female workers in Québec experience psychological distress (Ilfeld scale), related to: robbery during the past two years (odds ratio = 1.7; confidence interval = 1.0-2.9); difficult relations with superiors (O.R. = 2.6; C.I. = 1.3-5.3); and full-time work (O.R. = 2.3; C.I. = 1.3-3.9). Diverse methods enriched the analysis, and union participation allowed the proposal of concrete correction measures.

A crossover in anisotropic nanomechanochemistry of van der Waals crystals

International Nuclear Information System (INIS)

Shimamura, Kohei; Misawa, Masaaki; Li, Ying; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Shimojo, Fuyuki

2015-01-01

In nanoscale mechanochemistry, mechanical forces selectively break covalent bonds to essentially control chemical reactions. An archetype is anisotropic detonation of layered energetic molecular crystals bonded by van der Waals (vdW) interactions. Here, quantum molecular dynamics simulations reveal a crossover of anisotropic nanomechanochemistry of vdW crystal. Within 10 −13 s from the passage of shock front, lateral collision produces NO 2 via twisting and bending of nitro-groups and the resulting inverse Jahn-Teller effect, which is mediated by strong intra-layer hydrogen bonds. Subsequently, as we transition from heterogeneous to homogeneous mechanochemical regimes around 10 −12 s, shock normal to multilayers becomes more reactive, producing H 2 O assisted by inter-layer N-N bond formation. These time-resolved results provide much needed atomistic understanding of nanomechanochemistry that underlies a wider range of technologies

Charge driven metal-insulator transitions in LaMnO3|SrTiO3 (111) superlattices

KAUST Repository

Cossu, Fabrizio; Tahini, Hassan Ali; Singh, Nirpendra; Schwingenschlö gl, Udo

2017-01-01

Interfaces of perovskite oxides, due to the strong interplay between the lattice, charge and spin degrees of freedom, can host various phase transitions, which is particularly interesting if these transitions can be tuned by external fields. Recently, ferromagnetism was found together with a seemingly insulating state in superlattices of manganites and titanates. We therefore study the (111) oriented $(\\text{LaMnO}_3)_{6-x}\\vert(\\text{SrTiO}_3)_{6+x}~(x = -0.5, 0, 0.5)$ superlattices by means of ab initio calculations, predicting a ferromagnetic ground state due to double exchange in all cases. We shed light on the ferromagnetic coupling in the LaMnO3 region and at the interfaces. The insulating states of specific superlattices can be understood on the basis of Jahn-Teller modes and electron/hole doping.

Charge driven metal-insulator transitions in LaMnO3|SrTiO3 (111) superlattices

KAUST Repository

Cossu, Fabrizio

2017-08-01

Interfaces of perovskite oxides, due to the strong interplay between the lattice, charge and spin degrees of freedom, can host various phase transitions, which is particularly interesting if these transitions can be tuned by external fields. Recently, ferromagnetism was found together with a seemingly insulating state in superlattices of manganites and titanates. We therefore study the (111) oriented $(\\\\text{LaMnO}_3)_{6-x}\\\\vert(\\\\text{SrTiO}_3)_{6+x}~(x = -0.5, 0, 0.5)$ superlattices by means of ab initio calculations, predicting a ferromagnetic ground state due to double exchange in all cases. We shed light on the ferromagnetic coupling in the LaMnO3 region and at the interfaces. The insulating states of specific superlattices can be understood on the basis of Jahn-Teller modes and electron/hole doping.

A crossover in anisotropic nanomechanochemistry of van der Waals crystals

Energy Technology Data Exchange (ETDEWEB)

Shimamura, Kohei [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Graduate School of System Informatics, Kobe University, Kobe 657-8501 (Japan); Misawa, Masaaki [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Li, Ying [Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Shimojo, Fuyuki [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan)

2015-12-07

In nanoscale mechanochemistry, mechanical forces selectively break covalent bonds to essentially control chemical reactions. An archetype is anisotropic detonation of layered energetic molecular crystals bonded by van der Waals (vdW) interactions. Here, quantum molecular dynamics simulations reveal a crossover of anisotropic nanomechanochemistry of vdW crystal. Within 10{sup −13} s from the passage of shock front, lateral collision produces NO{sub 2} via twisting and bending of nitro-groups and the resulting inverse Jahn-Teller effect, which is mediated by strong intra-layer hydrogen bonds. Subsequently, as we transition from heterogeneous to homogeneous mechanochemical regimes around 10{sup −12} s, shock normal to multilayers becomes more reactive, producing H{sub 2}O assisted by inter-layer N-N bond formation. These time-resolved results provide much needed atomistic understanding of nanomechanochemistry that underlies a wider range of technologies.

E x circle epsilon Jahn-Teller anharmonic coupling for an octahedral system

CERN Document Server

Avram, N M; Kibler, M R

2001-01-01

The coupling between doubly degenerate electronic states and doubly degenerate vibrations is analyzed for an octahedral system on the basis of the introduction of an anharmonic Morse potential for the vibronic part. The vibrations are described by anharmonic coherent states and their linear coupling with the electronic states is considered. The matrix elements of the vibronic interaction are built and the energy levels corresponding to the interaction Hamiltonian are derived.

Spectral intensities for stoichiometric elpasolites. I. Absorption and emission of Tm+3 in systems of the Cs2NaTmZ6 type

International Nuclear Information System (INIS)

Acevedo, R; Poblete, V; Pozo, J; Elgueta, R; Tanner, P.A

2000-01-01

Based upon new experimental data for systems such as, Cs 2 NaTmZ 6 , where Z - =Cl - , F - [1-4], we have carried out a thorough study of the mechanistic factors related with the spectral intensities for both the absorptions and the emissions of the Cs 2 NaTmZ 6 system. For the above purposes, we have generalized our previous calculation models, and in this article we show novel results for the emissions 3 H 4 (Γ i )→ 3 F 4 (Γ j ) and for the absorptions 3 H 6 (A 1 )→ 3 F 4 (Γ i ), 1 G 4 (Γ i ), 3 H 5 (Γ i ), with Γ-k(k=i,j)=A 1 ,E,T 1 ,T 2 and Γ 1 =T a 1 , T b 1 , E, T 2 . The effects due to dispersion (essentially, electrostatic in character), details of the short range vibrational force field and Jahn-Teller distortion are discussed in the text. The agreement among experiment and theory is satisfactory and a generalized model with a few number of adjustable parameters is introduced to account for the observed spectral intensities

Electron localization, polarons and clustered states in manganites

International Nuclear Information System (INIS)

Mannella, N.

2004-01-01

Full text: A recent multi-spectroscopic study of prototypical colossal magnetoresistance (CMR) compounds La 1-x Sr x MnO 3 (LSMO, x = 0.3, 0.4) using photoemission (PE), x-ray absorption (XAS), x-ray emission (XES) and extended x-ray absorption e structure (EXAFS) has exposed a dramatic change in the electronic structure on crossing the ferromagnetic-to-paramagnetic transition temperature (T C ). In particular, this investigation revealed an increase of the Mn magnetic moment by ca. 1 Bohr magneton and charge transfer to the Mn atom on crossing T C concomitant with the presence of Jahn-Teller distortions, thus providing direct evidence of lattice polaron formation. These results thus challenge the belief of some authors that the LSMO compounds are canonical double-exchange (DE) systems in which polaron formation is unimportant, and thus help to unify the theoretical description of the CMR oxides. The relationship of these data to other recent work suggesting electron localization, polarons and phase separation, along with additional measurements of magnetic susceptibility indicating the formation of ferromagnetic clusters in the metallic paramagnetic state above T C will be discussed

Structural study of CaMn{sub 1−x}Mo{sub x}O{sub 3} (0.08 ≤ x ≤ 0.12) system by neutron powder diffraction

Energy Technology Data Exchange (ETDEWEB)

Supelano, G.I., E-mail: ivan.supelano@uptc.edu.co [Grupo Física de Materiales, Escuela de Física, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Parra Vargas, C.A.; Barón-González, A.J. [Grupo Física de Materiales, Escuela de Física, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Sarmiento Santos, A. [Grupo Superficies Electroquímica y Corrosión, Escuela de Física, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Frontera, C. [Institut de Ciència de Materials de Barcelona, CSIC, Campus Universitari de Bellaterra, E-08193, Bellaterra, Barcelona (Spain)

2016-08-15

Neutron powder diffraction experiments and magnetic measurements in polycrystalline CaMn{sub 1−x}Mo{sub x}O{sub 3} (x = 0.08, 0.10, 0.12) point towards a possible charge and orbital order in this system. The analysis of structural and magnetic data show that the samples present structural phase transformation from Pnma to P2{sub 1}/m space group and the system has a C-type antiferromagnetic configuration at low temperature. A detailed analysis of the bond distances signals a small Jahn-Teller distortion of only one (x = 0.08) or of the two Mn ions (x = 0.10, 0.12). We identify the partially occupied e{sub g} orbitals and this explains the C-type magnetic structure. - Highlights: • CaMn{sub 1−x}Mo{sub x}O{sub 3} (x = 0.08, 0.10, 0.12) is investigated by neutron powder diffraction. • Analysis of individual Mn-O distances demonstrates the apparition of orbital order. • By symmetry analysis, we find that the low temperature magnetic structure is C-type. • Magnetic interactions foreseen by the orbital order explain the magnetic structure.

Investigations on the Local Structures and the Spin Hamiltonian Parameters for Cu2+ in (90-x)TeO2-10GeO2-xWO3 Glasses

Science.gov (United States)

Feng, Chun-Rong; Jian, Jun; Chen, Xiao-Hong; Du, Quan; Wang, Ling

2017-12-01

The local structures and the spin Hamiltonian parameters (SHPs) for Cu2+ in (90-x)TeO2-10GeO2-xWO3 glasses are theoretically investigated at various WO3 concentrations (x=7.5, 15, 22.5 and 30 mol%). Subject to the Jahn-Teller effect, the [CuO6]10- groups are found to experience the small or moderate tetragonal elongation distortions (characterised by the relative tetragonal elongation ratios ρ≈0.35-3.09%) in C4 axis. With only three adjusted coefficients a, b and ω, the relevant model parameters (Dq, k and ρ) are described by the Fourier type and linear functions, respectively, and the measured concentration dependences of the d-d transition bands and SHPs are reproduced. The maximum of g∥ and the minimum of |A∥| at x=15 mol% are illustrated from the abrupt decrease of the copper-oxygen electron cloud admixtures or covalency and the obvious decline of the copper 3d-3s (4s) orbital admixtures due to the decreasing electron cloud density around oxygen ligands spontaneously bonding with Cu2+ and Te4+ (W6+), respectively.

Spin-state blockade in Te6+-substituted electron-doped LaCoO3

Science.gov (United States)

Tomiyasu, Keisuke; Koyama, Shun-Ichi; Watahiki, Masanori; Sato, Mika; Nishihara, Kazuki; Onodera, Mitsugi; Iwasa, Kazuaki; Nojima, Tsutomu; Yamasaki, Yuuichi; Nakao, Hironori; Murakami, Youichi

2015-03-01

Perovskite-type LaCoO3 (Co3+: d6) is a rare inorganic material with sensitive and characteristic responses among low, intermediate, and high spin states. For example, in insulating nonmagnetic low-spin states below about 20 K, light hole doping (Ni substitution) induces much larger magnetization than expected; over net 10μB/hole (5μB/Ni) for 1μB/hole (1μB/Ni), in which the nearly isolated dopants locally change the surrounding Co low-spin states to magnetic ones and form spin molecules with larger total spin. Further, the former is isotropic, whereas the latter exhibits characteristic anisotropy probably because of Jahn-Teller distortion. In contrast, for electron doping, relatively insensitive spin-state responses were reported, as in LaCo(Ti4+) O3, but are not clarified, and are somewhat controversial. Here, we present macroscopic measurement data of another electron-doped system LaCo(Te6+) O3 and discuss the spin-state responses. This study was financially supported by Grants-in-Aid for Young Scientists (B) (No. 22740209 and 26800174) from the MEXT of Japan.

Spontaneous symmetry breaking by double lithium adsorption in polyacenes

International Nuclear Information System (INIS)

Ortiz, Yenni. P.; Seligman, Thomas H.

2010-01-01

We show that adsorption of one lithium atom to polyacenes, i.e. chains of linearly fused benzene rings, will cause such chains to be slightly deformed. If we adsorb a second identical atom on the opposite side of the same ring, this deformation is dramatically enhanced despite the fact that a symmetric configuration seems possible. We argue, that this may be due to an instability of the Jahn-Teller type possibly indeed to a Peierls instability.

Theoretical studies of the spin Hamiltonian parameters and local distortions for Cu{sup 2+} in alkaline earth lead zinc phosphate glasses

Energy Technology Data Exchange (ETDEWEB)

Wang, Bo-Kun; Yuan, Zi-Yi; Liu, Zi-Xuan; Jiang, Shi-Xin; Liu, Zheng; Yao, Zi-Jian [University of Electronic Science and Technology of China, Chengdu (China). School of Yingcai Honors; Wu, Shao-Yi; Teng, Bao-Hua; Wu, Ming-He [University of Electronic Science and Technology of China, Chengdu (China). Dept. of Applied Physics

2016-11-01

The spin Hamiltonian parameters and local structures are theoretically studied for Cu{sup 2+}-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d{sup 9} cluster. The relative elongation ratios are found to be ρ ∼ 3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu{sup 2+}-O{sup 2-} electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Ba

Renner-Teller effects in the photoelectron spectra of CNC, CCN, and HCCN.

Science.gov (United States)

Coudert, Laurent H; Gans, Bérenger; Garcia, Gustavo A; Loison, Jean-Christophe

2018-02-07

The line intensity of photoelectron spectra when either the neutral or cationic species display a Renner-Teller coupling is derived and applied to the modeling of the photoelectron spectra of CNC, CCN, and HCCN. The rovibronic energy levels of these three radicals and of their cations are investigated starting from ab initio results. A model treating simultaneously the bending mode and the overall rotation is developed to deal with the quasilinearity problem in CNC + , CCN + , and HCCN and accounts for the large amplitude nature of their bending mode. This model is extended to treat the Renner-Teller coupling in CNC, CCN, and HCCN + . Based on the derived photoelectron line intensity, the photoelectron spectra of all three molecules are calculated and compared to the experimental ones.

Classical motion and coherent states for Poeschl-Teller potentials

International Nuclear Information System (INIS)

Cruz y Cruz, S.; Kuru, S.; Negro, J.

2008-01-01

The trigonometric and hyperbolic Poeschl-Teller potentials are dealt with from the point of view of classical and quantum mechanics. We show that there is a natural correspondence between the algebraic structure of these two approaches for both kind of potentials. Then, the coherent states are constructed and the appropriate classical variables are compared with the expected values of their corresponding quantum operators

Rate-distortion theory and human perception.

Science.gov (United States)

Sims, Chris R

2016-07-01

The fundamental goal of perception is to aid in the achievement of behavioral objectives. This requires extracting and communicating useful information from noisy and uncertain sensory signals. At the same time, given the complexity of sensory information and the limitations of biological information processing, it is necessary that some information must be lost or discarded in the act of perception. Under these circumstances, what constitutes an 'optimal' perceptual system? This paper describes the mathematical framework of rate-distortion theory as the optimal solution to the problem of minimizing the costs of perceptual error subject to strong constraints on the ability to communicate or transmit information. Rate-distortion theory offers a general and principled theoretical framework for developing computational-level models of human perception (Marr, 1982). Models developed in this framework are capable of producing quantitatively precise explanations for human perceptual performance, while yielding new insights regarding the nature and goals of perception. This paper demonstrates the application of rate-distortion theory to two benchmark domains where capacity limits are especially salient in human perception: discrete categorization of stimuli (also known as absolute identification) and visual working memory. A software package written for the R statistical programming language is described that aids in the development of models based on rate-distortion theory. Copyright © 2016 The Author. Published by Elsevier B.V. All rights reserved.

Distortion-Based Link Adaptation for Wireless Video Transmission

Directory of Open Access Journals (Sweden)

Andrew Nix

2008-06-01

Full Text Available Wireless local area networks (WLANs such as IEEE 802.11a/g utilise numerous transmission modes, each providing different throughputs and reliability levels. Most link adaptation algorithms proposed in the literature (i maximise the error-free data throughput, (ii do not take into account the content of the data stream, and (iii rely strongly on the use of ARQ. Low-latency applications, such as real-time video transmission, do not permit large numbers of retransmission. In this paper, a novel link adaptation scheme is presented that improves the quality of service (QoS for video transmission. Rather than maximising the error-free throughput, our scheme minimises the video distortion of the received sequence. With the use of simple and local rate distortion measures and end-to-end distortion models at the video encoder, the proposed scheme estimates the received video distortion at the current transmission rate, as well as on the adjacent lower and higher rates. This allows the system to select the link-speed which offers the lowest distortion and to adapt to the channel conditions. Simulation results are presented using the MPEG-4/AVC H.264 video compression standard over IEEE 802.11g. The results show that the proposed system closely follows the optimum theoretic solution.

Surface-defect induced modifications in the optical properties of α-MnO{sub 2} nanorods

Energy Technology Data Exchange (ETDEWEB)

John, Reenu Elizabeth [Department of Physics, St. Berchmans College, Changanassery, Kerala 686101 (India); Chandran, Anoop [School of Pure and Applied Physics, MG University, Kottayam, Kerala 686560 (India); Thomas, Marykutty [Department of Physics, BCM College, Kottayam, Kerala 686001 (India); Jose, Joshy [Department of Physics, St. Berchmans College, Changanassery, Kerala 686101 (India); George, K.C., E-mail: drkcgeorge@gmail.com [Department of Physics, St. Berchmans College, Changanassery, Kerala 686101 (India)

2016-03-30

Graphical abstract: - Highlights: • Alpha-MnO{sub 2} nanorods are prepared by chemical method. • Difference in surface defect density is achieved. • Characterized using XRD, Rietveld, XPS, EDS, HR-TEM, BET, UV–vis absorption spectroscopy and PL spectroscopy. • Explains the bandstructure modification due to Jahn–Teller distortions using crystal field theory. • Modification in the intensity of optical emissions related to defect levels validates the concept of surface defect induced tuning of optical properties. - Abstract: The science of defect engineering via surface tuning opens a new route to modify the inherent properties of nanomaterials for advanced functional and practical applications. In this work, two independent synthesis methods (hydrothermal and co-precipitation) are adopted to fabricate α-MnO{sub 2} nanorods with different defect structures so as to understand the effect of surface modifications on their optical properties. The crystal structure and morphology of samples are investigated with the aid of X-ray diffraction (XRD) and high resolution transmission electron microscopy (HRTEM). Atomic composition calculated from energy dispersive spectroscopy (EDS) confirms non-stoichiometry of the samples. The surface properties and chemical environment are thoroughly studied using X-ray photoelectron spectroscopy (XPS) and Brunauer–Emmett–Teller (BET) analysis. Bond angle variance and bond valence sum are determined to validate distortions in the basic MnO{sub 6} octahedron. The surface studies indicate that the concentration of Jahn–Teller manganese (III) (Mn{sup 3+}) ion in the samples differ from each other which results in their distinct properties. Band structure modifications due to Jahn–Teller distortion are examined with the aid of ultraviolet–visible (UV) reflectance and photoluminescence (PL) studies. The dual peaks obtained in derivative spectrum conflict the current concept on the bandgap energy of MnO{sub 2}. These

Surface-defect induced modifications in the optical properties of α-MnO_2 nanorods

International Nuclear Information System (INIS)

John, Reenu Elizabeth; Chandran, Anoop; Thomas, Marykutty; Jose, Joshy; George, K.C.

2016-01-01

Graphical abstract: - Highlights: • Alpha-MnO_2 nanorods are prepared by chemical method. • Difference in surface defect density is achieved. • Characterized using XRD, Rietveld, XPS, EDS, HR-TEM, BET, UV–vis absorption spectroscopy and PL spectroscopy. • Explains the bandstructure modification due to Jahn–Teller distortions using crystal field theory. • Modification in the intensity of optical emissions related to defect levels validates the concept of surface defect induced tuning of optical properties. - Abstract: The science of defect engineering via surface tuning opens a new route to modify the inherent properties of nanomaterials for advanced functional and practical applications. In this work, two independent synthesis methods (hydrothermal and co-precipitation) are adopted to fabricate α-MnO_2 nanorods with different defect structures so as to understand the effect of surface modifications on their optical properties. The crystal structure and morphology of samples are investigated with the aid of X-ray diffraction (XRD) and high resolution transmission electron microscopy (HRTEM). Atomic composition calculated from energy dispersive spectroscopy (EDS) confirms non-stoichiometry of the samples. The surface properties and chemical environment are thoroughly studied using X-ray photoelectron spectroscopy (XPS) and Brunauer–Emmett–Teller (BET) analysis. Bond angle variance and bond valence sum are determined to validate distortions in the basic MnO_6 octahedron. The surface studies indicate that the concentration of Jahn–Teller manganese (III) (Mn"3"+) ion in the samples differ from each other which results in their distinct properties. Band structure modifications due to Jahn–Teller distortion are examined with the aid of ultraviolet–visible (UV) reflectance and photoluminescence (PL) studies. The dual peaks obtained in derivative spectrum conflict the current concept on the bandgap energy of MnO_2. These studies suggest that

Synthesis and characterization of 6,6'-(2,4,6-triisopropylphenyl)-2,2'-bipyridine (tripbipy) and its complexes of the late first row transition metals.

Science.gov (United States)

Benson, Eric E; Rheingold, Arnold L; Kubiak, Clifford P

2010-02-15

The synthesis of tripbipy, a new substituted bipyridine ligand (6,6'-(2,4,6-triisopropylphenyl)-2,2'-bipyridine), and the syntheses, structures, and magnetic properties of the first coordination compounds based on this ligand are described. Tripbipy was synthesized by the Suzuki coupling of 2,4,6-triisopropylphenyl boronic acid and 6,6'-dibromo-2,2'-bipyridine. Reported here are the tripbipy complexes of five late first row transition metal chlorides (MCl(2); M = Fe, Co, Ni, Cu, Zn). Four of the complexes MCl(2)tripbipy (M = Fe, Co, Ni, Zn) crystallize in the space group P2(1)/c and are isomorphous with one solvent molecule of crystallization. The complex CuCl(2)tripbipy crystallizes in the space group P2(1)2(1)2(1) with two solvent molecules of crystallization. All MCl(2)tripbipy complexes are four coordinate and contain distorted tetrahedral metal centers. CuCl(2)tripbipy shows a pseudo Jahn-Teller distortion, and X-band electron paramagnetic resonance (EPR) in a toluene glass gives approximate g( perpendicular, parallel) values of 2.2 and 2.1. Magnetic measurements (M = Fe, Co, Ni, Cu) are consistent with high spin d(n) configurations (n = 6-9, S = 2, 3/2, 1, 1/2) tetrahedral complexes and give chi(M)T values at 300 K of 3.56, 2.10, 1.01, and 0.37 cm(3) M(-1) K, respectively.

Chiral filter, axial charges and Gamow-Teller strengths

International Nuclear Information System (INIS)

Rho, M.

1983-09-01

The different ways that nuclear matter responds to the weak axial-vector current are interpreted in terms of modification of the ''vacuum'' in baryon-rich environments. The notion of ''chiral filter'' is introduced. Use of a ward identity is suggested. The Gamow-Teller quenching and the enhanced axial charge in O + O - transitions follow from this. I also discuss briefly possible relevance of the nucleon as a topological soliton configuration to the global property of nuclear axial response functions

Gamow-Teller strength function for 90Zr: Effects of spin and isospin exchange forces, and ground-state correlations

International Nuclear Information System (INIS)

Mathews, G.J.; Bloom, S.D.; Hausman, R.F. Jr.

1983-01-01

Shell-model calculations of the Gamow-Teller strength function for 90 Zr have been performed utilizing a realistic finite-range two-body interaction in a model space consisting of the 2p and 1g shells. The effects of admixtures of two-particle two-hole excitations in 90 Nb, mostly due to the spin and isospin exchange components of the nucleon-nucleon force, are discussed. Ground state correlations in 90 Zr are also added via seniority-zero two-proton excitations from the 2p shell into the 1g/sub 9/2/ shell. With the correlations the Gamow-Teller strength function is in good agreement with the experimental results and accounts for essentially all of the observed dispersion of strength. The inclusion of these correlations does not, however, produce either a displacement of Gamow-Teller strength to higher excitation energies, or a significant change in the total strength. Thus, they cannot account for the observed Gamow-Teller quenching. The quenching factor derived by a comparison of our calculated results with experiment is 0.52

Crystal and magnetic study of the disordered perovskites Ca(Mn0.5Sb0.5)O3 and Ca(Fe0.5Sb0.5)O3

International Nuclear Information System (INIS)

Retuerto, M.; Martinez-Lope, M.J.; Garcia-Hernandez, M.; Munoz, A.; Fernandez-Diaz, M.T.; Alonso, J.A.

2010-01-01

We have investigated the double perovskites Ca 2 MSbO 6 (M = Mn, Fe) that have been prepared by solid-state reaction (M = Fe) and wet chemistry procedures (M = Mn). The crystal and magnetic structures have been studied from X-ray (XRD) and neutron powder diffraction (NPD) data. Rietveld refinements show that the crystal structures are orthorhombic (space group Pbnm) with complete disorder of M and Sb cations, so the formula should be rewritten as Ca(M 0.5 Sb 0.5 )O 3 . Due to this disorder no evidences of Jahn-Teller distortion can be observed in the MnO 6 octahedra of Ca(Mn 0.5 Sb 0.5 )O 3 , in contrast with the ordered double perovskite Sr 2 MnSbO 6 . Ca(Fe 0.5 Sb 0.5 )O 3 behaves as an antiferromagnet with an ordered magnetic moment for Fe 3+ of 1.53(4)μ B and a propagation vector k = 0, as investigated by low-temperature NPD. The antiferromagnetic ordering is a result of the high degree of Fe/Sb anti-site disorder of the sample, which originates the spontaneous formation of Fe-rich islands, characterized by the presence of strong Fe-O-Fe antiferromagnetic couplings with enough long-range coherence to produce a magnetic contribution perceptible by NPD. By contrast, the magnetic structure of Ca(Mn 0.5 Sb 0.5 )O 3 cannot be observed by low-temperature NPD because the magnitude of the ordered magnetic moments is below the detection threshold for neutrons.

Spectral intensities in cubic systems. II. The MoCl{sub 6} {sup 3-} system in cubic elpasolite crystals

Energy Technology Data Exchange (ETDEWEB)

Acevedo, R. [Department of Basic Chemistry, Faculty of Physical and Mathematical Sciences, University of Chile. Tupper 2069. Casilla 2777, Santiago, Chile (Chile); Meruane, T. [Department of Chemistry. Universidad Metropolitana de Ciencias de la Educacion. Av. J.P. Alessandri 774, Casilla 147, C. Santiago, Chile (Chile); Poblete, V. [Department of Nuclear Materials, Lo Aguirre, Comision Chilena de Energia Nuclear. Amunategui 95, Casilla 188-D, Santiago, Chile (Chile)

1998-12-01

The visible and near infrared luminescence spectra of MoCl{sub 6} {sup 3-} in Cs{sub 2}NaMCl{sub 6} (M=Sc, Y, In) and MoBr{sub 6} {sup 3-} in Cs{sub 2}NaYBr{sub 6} have been reported between 15000 cm {sup -1} and 3000 cm {sup -1} at liquid helium temperatures. It has been observed that each electronic transition shows an extensive and rich vibronic structure, which can be analysed to yield the vibrational frequencies of the MoX{sub 6} {sup 3-} ion in each electronic state. A through analysis of the spectra for these systems, show that the vibrational frequencies associated with each of the electronic transition is almost identical. This is an evidence of a weak or rather negligible Jahn-Teller distortions. The spectra though are strongly influenced by resonant interactions among the MoX{sub 6} {sup 3-} ion and the internal and lattice modes of the host lattices and there is also a noticeable variation of the relative vibronic distributions of parity forbidden transitions assisted by the odd parity normal modes of vibrations. This present work deals with the most likely intensity mechanisms and a strategy is put forward to carry out explicit calculations for both, the electronic and vibrational factors of transitions of the kind {Gamma}{sub 1}{r_reversible} {Gamma}{sub 2} + v{sub k} for k=3, 4, and 6. Extension of this work to include the ion-phonon interaction is currently in progress in our laboratory. (Author)

A study of Gamow-Teller strength in A=37 nuclei

International Nuclear Information System (INIS)

Aufderheide, M.B.; Bloom, S.D.; Resler, D.A.; Goodman, C.D.

1992-01-01

An analysis is made of the recent β+ decay measurements of Garcia et al., in order to see whether the 1981 37 Cl(p,n) 37 Ar measurements of Rapaport et al. are consistent with them. Garcia et al., were not able to determine the amount of Gamow-Teller strength in the isobaric analog state (IAS) or the Coulomb mixing of Fermi strength to a state near the IAS, and were forced to determine the amount of Gamow-Teller strength in the daughter 1371 keV state by making the branching ratios sum to unity. These uncertainties leave a range of possible values open which we investigate. We find that the experiments are consistent within part of this range. We also examine the effect of this range of allowed values on solar and supernova neutrino cross sections of 37 Cl and find weak dependence on the uncertainties described here. We discuss how this range can be narrowed so that the consistency of the two experiments can be conclusively tested

A variational study of the self-trapped magnetic polaron formation in double-exchange model

International Nuclear Information System (INIS)

Liu Tao; Feng Mang; Wang Kelin

2005-01-01

We study the formation of self-trapped magnetic polaron (STMP) in an antiferro/ferromagnetic double-exchange model semi-analytically by variational solutions. It is shown that the Jahn-Teller effect is not essential to the STMP formation and the STMP forms in the antiferromagnetic material within the region of the order of the lattice constant. We also confirm that no ground state STMP exists in the ferromagnetic background, but the ground state bound MP could appear due to the impurity potential

Even-Odd Differences and Shape Deformation of Metal Clusters

OpenAIRE

Hidetoshi, Nishioka; Yoshio, Takahashi; Department of Physics, Konan University; Faculty of General Education, Yamagata University

1994-01-01

The relation between even-odd difference of metal cluster and the deformation of equilibrium shape is studied in terms of two different models; (i) tri-axially deformed harmonic oscillator model, (ii) rectangular box model. Having assumed the matter density ρ kept constant for different shapes of a cluster, we can determine the equilibrium shape both for the two models. The enhancement of HOMO-LUMO gap is obtained and it is ascribed to Jahn-Teller effect. Good agreement of the calculated resu...

Market distortions and aggregate productivity: Evidence from Chinese energy enterprises

International Nuclear Information System (INIS)

Dai, Xiaoyong; Cheng, Liwei

2016-01-01

Market distortions can generate resource misallocations across heterogeneous firms and reduce aggregate productivity. This paper measures market distortions and aggregate productivity growth in China's energy sector. We use the wedge between output elasticities and factor shares in revenues to recover a measure of firm-level market distortions. Using data on a large sample of Chinese energy enterprises from 1999 to 2007, our estimations provide strong evidence of the existence of both factor and product market distortions within and across China's various energy industries. The productivity aggregation and decomposition results demonstrate that the estimated aggregate productivity growth (APG) is, on average, 2.595% points per year, of which technological change, resource reallocation, and firm entries and exits account for 1.981, 0.068, and 0.546% points, respectively. The weak contributions of resource reallocation and firm turnover to APG are also found in energy sub-industries, except in the coal industry. Our research suggests that China's energy sector has major potential for productivity gains from resource reallocation through the reduction of market distortions. - Highlights: •We estimate market distortions and productivity growth of China's energy sector. •We use a large sample of Chinese energy enterprises. •There are evidences of the existence of factor and product market distortions. •Aggregate productivity growth is largely driven by firm-level technological change. •China's energy sector can realize productivity gains from resource reallocations.

1995 Edward teller lecture. Patience and optimism

International Nuclear Information System (INIS)

Miley, G.H.

1996-01-01

Remarks made in the author close-quote s acceptance lecture for the 1995 Edward Teller Medal are presented and expanded. Topics covered include research on nuclear-pumped lasers, the first direct e-beam-pumped laser, direct energy conversion and advanced fuel fusion, plus recent work on inertial electrostatic confinement. open-quote open-quote Patience close-quote close-quote and open-quote open-quote optimism close-quote close-quote are viewed as essential elements needed by scientists following the open-quote open-quote zig-zag close-quote close-quote path to fusion energy production. copyright 1996 American Institute of Physics

Gamow-Teller strength in the β-decay of 36Ca

International Nuclear Information System (INIS)

Trinder, W.; Adelberger, E.G.; Janas, Z.; Keller, H.; Krumbholz, K.; Pfuetzner, M.; Rykaczewski, K.

1994-11-01

The β-decay of 36 Ca has been studied at the projectile fragment separator at GSI Darmstadt. The Gamow-Teller strength function B(GT), deduced from the observed β-delayed proton- and γ-emission and from the measured half-life of 102(2) ms, is compared to results obtained from large-scale sd-shell model calculations. (orig.)

CMB spectral distortion constraints on thermal inflation

Energy Technology Data Exchange (ETDEWEB)

Cho, Kihyun; Stewart, Ewan D. [Department of Physics, KAIST, Daejeon 34141 (Korea, Republic of); Hong, Sungwook E. [Korea Astronomy and Space Science Institute, Daejeon 34055 (Korea, Republic of); Zoe, Heeseung, E-mail: cho_physics@kaist.ac.kr, E-mail: heezoe@dgist.ac.kr, E-mail: jcap@profstewart.org, E-mail: heezoe@dgist.ac.kr [School of Undergraduate Studies, College of Transdisciplinary Studies, Daegu Gyeongbuk Institute of Science and Technology (DGIST), Daegu 42988 (Korea, Republic of)

2017-08-01

Thermal inflation is a second epoch of exponential expansion at typical energy scales V {sup 1/4} ∼ 10{sup 6} {sup ∼} {sup 8} GeV. If the usual primordial inflation is followed by thermal inflation, the primordial power spectrum is only modestly redshifted on large scales, but strongly suppressed on scales smaller than the horizon size at the beginning of thermal inflation, k > k {sub b} = a {sub b} H {sub b}. We calculate the spectral distortion of the cosmic microwave background generated by the dissipation of acoustic waves in this context. For k {sub b} || 10{sup 3} Mpc{sup −1}, thermal inflation results in a large suppression of the μ-distortion amplitude, predicting that it falls well below the standard value of μ ≅ 2× 10{sup −8}. Thus, future spectral distortion experiments, similar to PIXIE, can place new limits on the thermal inflation scenario, constraining k {sub b} ∼> 10{sup 3} Mpc{sup −1} if μ ≅ 2× 10{sup −8} were found.

Crystalline structure of the manganites solid solution RE(Me,MnO₃, (RE=Gd,Er; Me=Ni,Co

Directory of Open Access Journals (Sweden)

Peña, O.

2009-08-01

Full Text Available The structural properties of the manganites solid solution RE(Me,MnO₃, RE=Er,Gd, have been studied by X-ray diffraction and electric measurements. Powders were prepared by solid state reaction between the component oxides. Incorporation of Ni²⁺ or Co²⁺ on the lattice in the Mn sites leads to changes in the parameters and symmetry of the perovskite or hexagonal compounds GdMnO₃ and ErMnO₃ respectively. The phase transitions depend on the amount of substituted Jahn-Teller Mn³⁺ cations, and, therefore, of the cooperative Jahn-Teller interaction weakness. Solid solutions based on GdMnO₃ perovskite compound change from O’-type to O-type orthorhombic perovskite symmetry when the Mn³⁺ cation amount decreases, because of the progressive substitution for Ni, Co. This transition occurs for lower amount of Ni²⁺ than for Co²⁺ cation. The Er-based solid solutions showed a different behaviour. For Ni²⁺ and Co²⁺ incorporation there are changes from hexagonal ErMnO₃-type lattice to perovskite-type symmetry, for 20 at% and 30 at% respectively of substituting cations. The resultant perovskites crystallised directly in the O-type orthorhombic perovskite structure. The steric influence seems to play a secondary role, such as it can be deduced of the small variation of the Goldschmidt tolerance factor, t, for perovskite structure.

Las propiedades estructurales de las soluciones sólidas RE(Me,MnO₃, RE=Gd,Er, Me=Ni,Co, han sido estudiadas por difracción de rayos X, (DRX y medidas eléctricas. Las fases se sintetizaron por reacción en estado sólido entre los óxidos componentes. La incorporación de los cationes Ni²⁺ y Co^2+,3+ en la red en lugar de Mn lleva a cambios en los parámetros de red y en la simetría de la perovskita, GdMnO₃ o del compuesto hexagonal Er

Jahn-Teller and Non-Jahn-Teller Systems Involving CuF64- Units: Role of the Internal Electric Field in Ba2ZnF6:Cu2+ and Other Insulating Systems

DEFF Research Database (Denmark)

Aramburu, J. A.; Garcia-Fernandez, P.; García Lastra, Juan Maria

2017-01-01

transitions for CuF64- units formed in Cu2+-doped the tetragonal Ba2ZnF6 host lattice. While the experimental d-d transitions cannot be reproduced through the isolated CuF64- unit at the equilibrium geometry, a reasonable agreement is reached adding in the calculation the internal electric field, ER...... it is pointed out that a quasi-JT situation can however happen for a d9 ion in a cubic lattice under a strain of ∼10-3 in agreement with experimental data. The present results stress the key role played by the internal electric fields for a quantitative understanding of compounds with transition metal cations...

Olivine-type cathodes. Achievements and problems

Science.gov (United States)

Yamada, Atsuo; Hosoya, Mamoru; Chung, Sai-Cheong; Kudo, Yoshihiro; Hinokuma, Koichiro; Liu, Kuang-Yu; Nishi, Yoshio

The recent progress at Sony in the design of practical olivine-type cathodes is reviewed briefly. First principle calculations revealed LiFePO 4 is a semiconductor with ca. 0.3 eV band gap and LiMnPO 4 is an insulator with ca. 2 eV band gap, which seems the major intrinsic obstacle to a smooth redox reaction at 4 V in the Mn-rich phase. Attention is also focused on the lattice frustration induced by the strong electron (Mn 3+: 3d 4-e gσ ∗)-lattice interaction (Jahn-Teller effect) in the charged state of Li(Mn yFe 1- y)PO 4 (0≤ y≤1). Dense nanocomposite formation with disordered conductive carbon as well as the choice of the appropriate synthetic precursors is highlighted as important engineering aspects, followed by some specific issues concerning tolerance to unusual conditions.

Face detection on distorted images using perceptual quality-aware features

Science.gov (United States)

Gunasekar, Suriya; Ghosh, Joydeep; Bovik, Alan C.

2014-02-01

We quantify the degradation in performance of a popular and effective face detector when human-perceived image quality is degraded by distortions due to additive white gaussian noise, gaussian blur or JPEG compression. It is observed that, within a certain range of perceived image quality, a modest increase in image quality can drastically improve face detection performance. These results can be used to guide resource or bandwidth allocation in a communication/delivery system that is associated with face detection tasks. A new face detector based on QualHOG features is also proposed that augments face-indicative HOG features with perceptual quality-aware spatial Natural Scene Statistics (NSS) features, yielding improved tolerance against image distortions. The new detector provides statistically significant improvements over a strong baseline on a large database of face images representing a wide range of distortions. To facilitate this study, we created a new Distorted Face Database, containing face and non-face patches from images impaired by a variety of common distortion types and levels. This new dataset is available for download and further experimentation at www.ideal.ece.utexas.edu/˜suriya/DFD/.

'Distorted structure modelling' - a more physical approach to Rapid Distortion Theory

International Nuclear Information System (INIS)

Savill, A.M.

1979-11-01

Rapid Distortion Theory is reviewed in the light of the modern mechanistic approach to turbulent motion. The apparent failure of current models, based on this theory, to predict stress intensity ratios accurately in distorted shear flows is attributed to their oversimplistic assumptions concerning the inherent turbulence structure of such flows. A more realistic picture of this structure and the manner in which it responds to distortion is presented in terms of interactions between the mean flow and three principal types of eddies. If Rapid Distortion Theory is modified to account for this it is shown that the stress intensity ratios can be accurately predicted in three test flows. It is concluded that a computational scheme based on Rapid Distortion Theory might ultimately be capable of predicting turbulence parameters in the highly complex geometries of reactor cooling systems. (author)

Nonadiabatic Eigenfunctions Can Have Amplitude, Signed Conical Nodes, or Signed Higher Order Nodes at a Conical Intersection with Circular Symmetry (Open Access Publisher’s Version)

Science.gov (United States)

2017-09-26

marked by black rings on the potential energy surfaces. In some sense, only about half of the zero point energy is available to each of the two...wheel at the bottom. The conical intersection at q1 = q2 = 0 and E = 0 is submerged below the zero-point energy of Ezp = 181 cm −1 ( black curve). The...J. Chem. Phys. 123, 044102 (2005)]. J. Chem. Phys. 2008, 128, 109902. (49) Clinton, W. L.; Rice , B. Reformulation of the Jahn-Teller Theorem. J

Dirac equation with spin symmetry for the modified Pöschl–Teller ...

Indian Academy of Sciences (India)

effective nuclear shell-model scheme [7–9]. Also, various potentials such as the Morse potential [10–12], Wood–Saxon potential [13], Coulomb and Hartmann potentials [14],. Eckart potential [15,16], Pöschl–Teller potential [17,18] and the harmonic potential [19,20] have been studied within the framework of the spin and ...

Algebraic treatment of second Poeschl-Teller, Morse-Rosen and Eckart equations

International Nuclear Information System (INIS)

Barut, A.O.; Inomata, A.; Wilson, R.

1987-01-01

The method of algebraic treatment is applied to the non-compact case to solve a family of second Poeschl-Teller, Morse-Rosen and Eckart equations with quantized coupling constants. Both discrete and continuous spectra, bound state and scattering wave functions (transmission coefficients) are found from the matrix elements of group representations. (author). 24 refs, 1 tab

Distortion-Free 1-Bit PWM Coding for Digital Audio Signals

Directory of Open Access Journals (Sweden)

John Mourjopoulos

2007-01-01

Full Text Available Although uniformly sampled pulse width modulation (UPWM represents a very efficient digital audio coding scheme for digital-to-analog conversion and full-digital amplification, it suffers from strong harmonic distortions, as opposed to benign non-harmonic artifacts present in analog PWM (naturally sampled PWM, NPWM. Complete elimination of these distortions usually requires excessive oversampling of the source PCM audio signal, which results to impractical realizations of digital PWM systems. In this paper, a description of digital PWM distortion generation mechanism is given and a novel principle for their minimization is proposed, based on a process having some similarity to the dithering principle employed in multibit signal quantization. This conditioning signal is termed “jither” and it can be applied either in the PCM amplitude or the PWM time domain. It is shown that the proposed method achieves significant decrement of the harmonic distortions, rendering digital PWM performance equivalent to that of source PCM audio, for mild oversampling (e.g., ×4 resulting to typical PWM clock rates of 90 MHz.

Distortion-Free 1-Bit PWM Coding for Digital Audio Signals

Directory of Open Access Journals (Sweden)

Mourjopoulos John

2007-01-01

Full Text Available Although uniformly sampled pulse width modulation (UPWM represents a very efficient digital audio coding scheme for digital-to-analog conversion and full-digital amplification, it suffers from strong harmonic distortions, as opposed to benign non-harmonic artifacts present in analog PWM (naturally sampled PWM, NPWM. Complete elimination of these distortions usually requires excessive oversampling of the source PCM audio signal, which results to impractical realizations of digital PWM systems. In this paper, a description of digital PWM distortion generation mechanism is given and a novel principle for their minimization is proposed, based on a process having some similarity to the dithering principle employed in multibit signal quantization. This conditioning signal is termed "jither" and it can be applied either in the PCM amplitude or the PWM time domain. It is shown that the proposed method achieves significant decrement of the harmonic distortions, rendering digital PWM performance equivalent to that of source PCM audio, for mild oversampling (e.g., resulting to typical PWM clock rates of 90 MHz.

Holographic measurement of distortion during laser melting: Additive distortion from overlapping pulses

Science.gov (United States)

Haglund, Peter; Frostevarg, Jan; Powell, John; Eriksson, Ingemar; Kaplan, Alexander F. H.

2018-03-01

Laser - material interactions such as welding, heat treatment and thermal bending generate thermal gradients which give rise to thermal stresses and strains which often result in a permanent distortion of the heated object. This paper investigates the thermal distortion response which results from pulsed laser surface melting of a stainless steel sheet. Pulsed holography has been used to accurately monitor, in real time, the out-of-plane distortion of stainless steel samples melted on one face by with both single and multiple laser pulses. It has been shown that surface melting by additional laser pulses increases the out of plane distortion of the sample without significantly increasing the melt depth. The distortion differences between the primary pulse and subsequent pulses has also been analysed for fully and partially overlapping laser pulses.

Theoretical formulation of optical conductivity of La0.7Ca0.3MnO3 exhibiting paramagnetic insulator - ferromagnetic metal transition

Science.gov (United States)

Satiawati, L.; Majidi, M. A.

2017-07-01

A theory of high-energy optical conductivity of La0.7Ca0.3MnO3 has been proposed previously. The proposed theory works to explain the temperature-dependence of the optical conductivity for the photon energy region above ˜0.5 eV for up to ˜22 eV, but fails to capture the correct physics close to the dc limit in which metal-insulator transition occurs. The missing physics at the low energy has been acknowledged as mainly due to not incorporating phonon degree of freedom and electron-phonon interactions. In this study, we aim to complete the above theory by proposing a more complete Hamiltonian incorporating additional terms such as crystal field, two modes of Jahn-Teller vibrations, and coupling between electrons and the two Jahn-Teller vibrational modes. We solve the model by means of dynamical mean-field theory. At this stage, we aim to derive the analytical formulae involved in the calculation, and formulate the algorithmic implementation for the self-consistent calculation process. Our final goal is to compute the density of states and the optical conductivity for the complete photon energy range from 0 to 22 eV at various temperatures, and compare them with the experimental data. We expect that the improved model preserves the correct temperature-dependent physics at high photon energies, as already captured by the previous model, while it would also reveal ferromagnetic metal - paramagnetic insulator transition at the dc limit.

New SUSYQM coherent states for Poschl-Teller potentials: a detailed mathematical analysis

Czech Academy of Sciences Publication Activity Database

Bergeron, H.; Siegl, Petr; Youssef, A.

2012-01-01

Roč. 45, č. 24 (2012), 244028/1-244028/14 ISSN 1751-8113 R&D Projects: GA MŠk LC06002; GA ČR GAP203/11/0701 Institutional support: RVO:61389005 Keywords : supersymmetry * Poschi-Teller potential Subject RIV: BE - Theoretical Physics Impact factor: 1.766, year: 2012

Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes.

Science.gov (United States)

Deeth, Robert J; Halcrow, Malcolm A; Kershaw Cook, Laurence J; Raithby, Paul R

2018-04-06

A ligand field molecular mechanics (LFMM) force field has been constructed for the spin states of [Fe(bpp) 2 ] 2+ (bpp=2,6-di(pyrazol-1-yl)pyridine) and related complexes. A new charge scheme is employed which interpolates between partial charges for neutral bpp and protonated [H 3 bpp] 3+ to achieve a target metal charge. The LFMM angular overlap model (AOM) parameters are fitted to fully ab initio d orbital energies. However, several AOM parameter sets are possible. The ambiguity is resolved by calculating the Jahn-Teller distortion mode for high spin, which indicates that in [Fe(bpp) 2 ] 2+ pyridine is a π-acceptor and pyrazole a weak π-donor. The alternative fit, assumed previously, where both ligands act as π-donors leads to an inconsistent distortion. LFMM optimisations in the presence of [BF 4 ] - or [PF 6 ] - anions are in good agreement with experiment and the model also correctly predicts the spin state energetics for 3-pyrazolyl substituents where the interactions are mainly steric. However, for 4-pyridyl or 4-pyrazolyl substituents, LFMM only treats the electrostatic contribution which, for the pyridyl substituents, generates a fair correlation with the spin crossover transition temperatures, T 1/2 , but in the reverse sense to the dominant electronic effect. Thus, LFMM generates its smallest spin state energy difference for the substituent with the highest T 1/2 . One parameter set for all substituted bpp ligands is insufficient and further LFMM development will be required. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical study of the local structures and the EPR parameters for RLNKB glasses with VO2+ and Cu2+ dopants

Science.gov (United States)

Ding, Chang-Chun; Wu, Shao-Yi; Wu, Li-Na; Zhang, Li-Juan; Peng, Li; Wu, Ming-He; Teng, Bao-Hua

2018-02-01

The electron paramagnetic resonance (EPR) parameters and local structures for impurities VO2+ and Cu2+ in RO-Li2O-Na2O-K2O-B2O3 (RLNKB; R = Zn, Mg, Sr and Ba) glasses are theoretically investigated by using the perturbation formulas of the EPR parameters for tetragonally compressed octahedral 3d1 and tetragonally elongated octahedral 3d9 clusters, respectively. The VO2+ and Cu2+ dopants are found to undergo the tetragonal compression (characterized by the negative relative distortion ratios ρ ≈ -3%, -0.98%, -1% and -0.8% for R = Zn, Mg, Sr and Ba) and elongation (characterized by the positive relative distortion ratios ρ ≈ 29%, 17%, 16% and 28%), respectively, due to the Jahn-Teller effect. Both dopants show similar overall decreasing trends of cubic field parameter Dq and covalency factor N with decreasing electronegativity of alkali earth cation R. The conventional optical basicities Λth and local optical basicities Λloc are calculated for both systems, and the local Λloc are higher for Cu2+ than for VO2+ in the same RLNKB glass, despite the opposite relationship for the conventional Λth. This point is supported by the weaker covalency or stronger ionicity for Cu2+ than VO2+ in the same RLNKB system, characterized by the larger N in the former. The above comparative analysis on the spectral and local structural properties would be helpful to understand structures and spectroscopic properties for the similar oxide glasses with transition-metal dopants of complementary electronic configurations.

Neutron diffraction and ESR studies of pseudocubic Nd0.75Ba0.25MnO3 and its unusual critical behavior above TC

International Nuclear Information System (INIS)

Lazuta, A.V.; Ryzhov, V.A.; Smirnov, O.P.; Kiselev, I.A.; Chernenkov, Yu.P.; Borisov, S.A.; Troaynchuk, I.O.; Khalyavin, D.D.

2006-01-01

Results of structural neutron diffraction study and electron spin resonance (ESR) measurements are presented for insulating Nd 1-x Ba x MnO 3 (x=0.25) with the Curie temperature T C ∼129K. Its pseudocubic structure reveals the definite distortions to a lower symmetry. Detailed analysis of the data is performed in the frame of Pbnm space group in a temperature range 4.2-300K. The compound is found to exhibit the Jahn-Teller (JT) transition at T JT ∼250K. Character of the coherent JT distortions and their temperature evolution differ from those of the x=0.23 manganite. The ESR results correspond to behavior of a 3D isotropic ferromagnet above T*∼143K (τ*∼0.12= C )/T C ). It is shown that an anisotropic exchange coupling of the Mn and Nd magnetic moments may give a substantial contribution in ESR linewidth masking its critical enhancement. The different temperature treatments (slow/fast cooling/heating with/without external magnetic field) of the sample reveal a temperature hysteresis of the ESR spectra below T* indicating an anomalous response in the paramagnetic region. The study of the magnetic phase transition in the x=0.23 and 0.25 NdBa manganites suggests a change in its character from the second to first order at T*. The conventional free energy including the magnetization and magnetic field failed to describe this first-order transition. The unconventional critical behavior is attributed to an orbital liquid metallic phase that begins to coexist with the initial orbital-ordered phases below T*

Local atomic structure of α-Pu

International Nuclear Information System (INIS)

Espinosa, F. J.; Villella, P.; Lashley, J. C.; Conradson, S. D.; Cox, L. E.; Martinez, R.; Martinez, B.; Morales, L.; Terry, J.; Pereyra, R. A.

2001-01-01

The local atomic structure of α-Pu was investigated using x-ray absorption fine structure (XAFS) spectroscopy. XAFS spectra were obtained for a zone-refined α-Pu and the results were compared to 32-year-old and Ce-doped (0.34 at.%) samples. X-ray diffraction (XRD) patterns were also measured for the zone-refined and 32-year-old materials. The extent of the Bragg peaks showed that amorphization of the 32-year-old sample had not occurred despite the prolonged exposure to self-radiation. Analogous to metastable δ-Pu alloys, the local atomic structure around Pu for the zone-refined material shows the possible presence of noncrystallographic Pu-Pu distances. Conversely, the Ce and the 32-year-old sample show no evidence for such noncrystallographic distances. Disorder in the Pu local environment was found to be impurity dependent. The Ce-doped sample presented a larger Pu-Pu nearest neighbor disorder than the aged sample, although the total amount of Am, U, and He impurities was actually higher in the aged sample. The local environment around U and Ce impurities is consistent with these elements being in substitutional lattice sites. In addition, U and Ce do not introduce significant lattice distortion to their nearest neighbors. This is consistent with disorder being more related to the perturbation of the coupling between the electronic and crystal structure, or the Peierls--Jahn-Teller distortion that generates the monoclinic α-Pu structure, and less to strain fields produced in the vicinity of the impurities

Photo-induced charge-transfer phase transition of rubidium manganese hexacyanoferrate in ferromagnetic and paramagnetic states

International Nuclear Information System (INIS)

Tokoro, Hiroko; Hashimoto, Kazuhito; Ohkoshi, Shin-ichi

2007-01-01

A charge transfer phase transition with thermal hysteresis loop is observed in a series of rubidium manganese hexacyanoferrates, RbMn[Fe(China) 6 ] (1), Rb 0.88 Mn[Fe(China) 6 ] 0.96 .0.6H 2 O (2), and Rb 0.97 Mn[Fe(China) 6 ] 0.99 .0.2H 2 O (3). This phase transition is accompanied by a structural change from cubic (F4-bar 3m) to tetragonal (I4-bar m2). Its high-temperature (HT) and low-temperature (LT) phases are composed of Mn II (S=2/5)NC-Fe III (S=1/2) and Mn III (S=2)-NC-Fe II (S=0), respectively. The phase transition is caused by a metal-to-metal charge transfer from Mn II to Fe III and a Jahn-Teller distortion of the produced Mn III ion. At the ferromagnetic state in LT phase of 2, the photo-induced phase transition is observed, i.e., magnetization is quenched by the irradiation with only one shot of laser pulse. This phenomenon is caused by a photo-induced phase transition from the LT phase to the HT phase. In 3, optical switching between LT and HT phases at room temperature in paramagnetic region is observed

Dynamics of ligand exchange mechanism at Cu(II) in water: an ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region.

Science.gov (United States)

Moin, Syed Tarique; Hofer, Thomas S; Weiss, Alexander K H; Rode, Bernd M

2013-07-07

Ab initio quantum mechanical charge field molecular dynamics (QMCF-MD) were successfully applied to Cu(II) embedded in water to elucidate structure and to understand dynamics of ligand exchange mechanism. From the simulation studies, it was found that using an extended large quantum mechanical region including two shells of hydration is required for a better description of the dynamics of exchanging water molecules. The structural features characterized by radial distribution function, angular distribution function and other analytical parameters were consistent with experimental data. The major outcome of this study was the dynamics of exchange mechanism and reactions in the first hydration shell that could not be studied so far. The dynamical data such as mean residence time of the first shell water molecules and other relevant data from the simulations are close to the results determined experimentally. Another major characteristic of hydrated Cu(II) is the Jahn-Teller distortion which was also successfully reproduced, leading to the final conclusion that the dominating aqua complex is a 6-coordinated species. The ab initio QMCF-MD formalism proved again its capabilities of unraveling even ambiguous properties of hydrated species that are far difficult to explore by any conventional quantum mechanics/molecular mechanics (QM/MM) approach or experiment.

Characterization of Carbon Composite LiMn1-xFexPO4 Cathodes

International Nuclear Information System (INIS)

Mishima, Y; Honda, S; Sadamura, H; Nakayama, N; Moriyoshi, C; Kuroiwa, Y

2011-01-01

The discharge capacities of 148 mAh/g (87 % theoretical value) at C/10 and 114mAh/g at 5C between 2.0 and 4.5 V at 25 deg. C were achieved for the carbon composite LiMn 0.8 Fe 0.2 PO 4 (C-LiMn 0.8 Fe 0.2 PO 4 ) cathode material of lithium-ion batteries (LIB), synthesized by a hydrothermal and annealing process. To improve the battery properties, we investigated the characteristics of C-LiMn 1-x Fe x PO 4 powders (x = 0.2 and 1) and the delithiated compound. While it was easier to form the homogeneous carbon layer on the surface of LiFePO 4 particles from the pyrolysis of sucrose, there was a tendency to form the particulate carbon on the LiMn 0.8 Fe 0.2 PO 4 particles. The lattice distortion of Mn 0.8 Fe 0.2 PO 4 was revealed by electron charge density study because of the Jahn-Teller active Mn 3+ ion associated with the phosphate ion. The surface and size of C- LiMn 0.8 Fe 0.2 PO 4 had to be modified because of these phenomena.

A review of the low temperature properties of the rare earth vanadates

International Nuclear Information System (INIS)

Bowden, G.J.

1998-01-01

The rare earth vanadates have long been studied for their interesting magnetic properties and cooperative Jahn-Teller distortions. In the main, most of this work has been carried out at temperatures down to 1 K or so (e.g. Gehring and Gehring 1975). In this review NMRON (NMR on Oriented Nuclei), and other low temperature experiments in the mK regime, are presented and discussed. It will be argued that the low temperature properties of these compounds are just as interesting as their high temperature counterparts. In general, the nuclear and electronic wavefunctions become intermixed, leading to a variety of interesting physical effects, such as enhanced nuclear magnetism, quadrupolar induced intermediate state re-orientation etc. These effects have, in turn, spawned new methods for the investigation of magnetic structures, and thermometric detection of 166 Ho NMR both by internal and external thermometers. Several experiments are suggested, including magnetic refrigeration, Moessbauer, EPR in the ∼30 GHz range, in addition to thermometric NMR and NMRON. Nuclear Orientation (NO) studies of HoVO 4 , using in-situ radioactive 166 Ho, has led to the development of new techniques for the determination of complex spin structures and mixed domains, and can be used to rival or complement neutron scattering. Copyright (1998) Australian Journal of Physics

Dynamics of ligand exchange mechanism at Cu(II) in water: An ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region

International Nuclear Information System (INIS)

Moin, Syed Tarique; Hofer, Thomas S.; Weiss, Alexander K. H.; Rode, Bernd M.

2013-01-01

Ab initio quantum mechanical charge field molecular dynamics (QMCF-MD) were successfully applied to Cu(II) embedded in water to elucidate structure and to understand dynamics of ligand exchange mechanism. From the simulation studies, it was found that using an extended large quantum mechanical region including two shells of hydration is required for a better description of the dynamics of exchanging water molecules. The structural features characterized by radial distribution function, angular distribution function and other analytical parameters were consistent with experimental data. The major outcome of this study was the dynamics of exchange mechanism and reactions in the first hydration shell that could not be studied so far. The dynamical data such as mean residence time of the first shell water molecules and other relevant data from the simulations are close to the results determined experimentally. Another major characteristic of hydrated Cu(II) is the Jahn-Teller distortion which was also successfully reproduced, leading to the final conclusion that the dominating aqua complex is a 6-coordinated species. The ab initio QMCF-MD formalism proved again its capabilities of unraveling even ambiguous properties of hydrated species that are far difficult to explore by any conventional quantum mechanics/molecular mechanics (QM/MM) approach or experiment

Where do the doped holes go in La2-xSrxCuO4? A close look by XAFS

International Nuclear Information System (INIS)

Haskel, Daniel; Polinger, Victor; Stern, Edward A.

1999-01-01

Polarized x-ray absorption fine structure (XAFS) measurements at the La and Sr sites in La 2-x Sr x CuO 4 (0.075(less-or-similar sign)x(less-or-similar sign)0.35) indicate that doped holes introduced with Sr are not uniformly distributed in the CuO 2 planes but reside in impurity states with the majority of charge located on CuO 6 octahedra coupled to the Sr dopants by an apical oxygen (denoted as Sr octahedra). A model based on doped hole-induced Jahn Teller (JT) distortions of these Sr octahedra indicates the impurity states are overlapping singlet and triplet ones resulting from pairings of intrinsic and extrinsic holes. The more mobile singlet pairs reside in the CuO 2 planes, are bound by more than 0.1 eV and could Bose-condense into a superconducting state. The predominant appearance of (mostly) out-of plane triplet states at high x intimately related to the 2D-3D crossover in transport properties and could relate to the observed loss of high T c in the overdoped regime, as confinement of carriers to the CuO 2 planes is reduced. (c) 1999 American Institute of Physics

Investigations on the local structures and the spin Hamiltonian parameters for Cu{sup 2+} in (90-x)TeO{sub 2}-10GeO{sub 2}-xWO{sub 3} glasses

Energy Technology Data Exchange (ETDEWEB)

Feng, Chun-Rong [Xihua Univ., Chengdu (China). School of Science; Jian, Jun [Xihua Univ., Chengdu (China). Dept. of Applied Physics; Chen, Xiao-Hong; Du, Quan; Wang, Ling [Xihua Univ., Chengdu (China). School of Science and Research Center for Advanced Computation

2018-04-01

The local structures and the spin Hamiltonian parameters (SHPs) for Cu{sup 2+} in (90-x)TeO{sub 2}-10GeO{sub 2}-xWO{sub 3} glasses are theoretically investigated at various WO{sub 3} concentrations (x=7.5, 15, 22.5 and 30 mol%). Subject to the Jahn-Teller effect, the [CuO{sub 6}]{sup 10-} groups are found to experience the small or moderate tetragonal elongation distortions (characterised by the relative tetragonal elongation ratios ρ ∼ 0.35-3.09%) in C{sub 4} axis. With only three adjusted coefficients a, b and ω, the relevant model parameters (Dq, k and ρ) are described by the Fourier type and linear functions, respectively, and the measured concentration dependences of the d-d transition bands and SHPs are reproduced. The maximum of g {sub parallel} and the minimum of vertical stroke A {sub parallel} vertical stroke at x=15 mol% are illustrated from the abrupt decrease of the copper-oxygen electron cloud admixtures or covalency and the obvious decline of the copper 3d-3s (4s) orbital admixtures due to the decreasing electron cloud density around oxygen ligands spontaneously bonding with Cu{sup 2+} and Te{sup 4+} (W{sup 6+}), respectively.

Studies of the fluorescent excited state of impurities in ionic crystals

International Nuclear Information System (INIS)

Romestain, Robert

1972-01-01

The author of this research thesis first presents experimental methods used in this research: principles (recall on the optical spectrum of an impurity in a solid, use of fluorescence polarization) and techniques (sample preparation, liquid helium cryostat, application of a disturbance, optical detection). Then, he reports the study of the Mn ++ ion in a tetrahedron crystalline field, the study of the Jahn Teller effect on the excited state of the F + centre in CaO, and the study by double resonance of a specific excited state of this same centre in CaO

Formal verification of automated teller machine systems using SPIN

Science.gov (United States)

Iqbal, Ikhwan Mohammad; Adzkiya, Dieky; Mukhlash, Imam

2017-08-01

Formal verification is a technique for ensuring the correctness of systems. This work focuses on verifying a model of the Automated Teller Machine (ATM) system against some specifications. We construct the model as a state transition diagram that is suitable for verification. The specifications are expressed as Linear Temporal Logic (LTL) formulas. We use Simple Promela Interpreter (SPIN) model checker to check whether the model satisfies the formula. This model checker accepts models written in Process Meta Language (PROMELA), and its specifications are specified in LTL formulas.

Magnetic Dipole and Gamow-Teller Modes in Neutrino-Nucleus Reactions: Impact on Supernova Dynamics and Nucleosynthesis

International Nuclear Information System (INIS)

Neumann-Cosel, P. von; Byelikov, A.; Richter, A.; Shevchenko, A.; Adachi, T.; Fujita, Y.; Shimbara, Y.; Fujita, H.; Heger, A.; Kolbe, E.; Langanke, K.; Martinez-Pinedo, G.

2006-01-01

Some aspects of the importance of neutrino-induced reactions on nuclei within supernova physics are discussed. It is argued that important constraints on the experimentally unknown cross sections can be obtained from experimental studies of the nuclear response in selected cases. Examples are neutral-current induced reactions on fp-shell nuclei extracted from high-resolution inelastic electron scattering data providing the M1 strength distributions and the production of the exotic heavy, odd-odd nuclei 138La and 180Ta through charged-current reactions dominated by Gamow-Teller transitions. The Gamow-Teller strength can deduced from the (3He,t) charge-exchange reaction at zero degree

Crystal and magnetic study of the disordered perovskites Ca(Mn{sub 0.5}Sb{sub 0.5})O{sub 3} and Ca(Fe{sub 0.5}Sb{sub 0.5})O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Retuerto, M., E-mail: mretuerto@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, CSIC, Energia, Medio Ambiente y Tecnologias Sostenibles, Sor Juana Ines de la Cruz 3, Cantoblanco, E-28049 Madrid (Spain); Martinez-Lope, M.J.; Garcia-Hernandez, M. [Instituto de Ciencia de Materiales de Madrid, CSIC, Energia, Medio Ambiente y Tecnologias Sostenibles, Sor Juana Ines de la Cruz 3, Cantoblanco, E-28049 Madrid (Spain); Munoz, A. [Departamento de Fisica Aplicada, EPS, Universidad Carlos III, Avda. Universidad 30, E-28911 Leganes-Madrid (Spain); Fernandez-Diaz, M.T. [Institut Max Von Laue Paul Langevin, F-38042 Grenoble (France); Alonso, J.A. [Instituto de Ciencia de Materiales de Madrid, CSIC, Energia, Medio Ambiente y Tecnologias Sostenibles, Sor Juana Ines de la Cruz 3, Cantoblanco, E-28049 Madrid (Spain)

2010-10-15

We have investigated the double perovskites Ca{sub 2}MSbO{sub 6} (M = Mn, Fe) that have been prepared by solid-state reaction (M = Fe) and wet chemistry procedures (M = Mn). The crystal and magnetic structures have been studied from X-ray (XRD) and neutron powder diffraction (NPD) data. Rietveld refinements show that the crystal structures are orthorhombic (space group Pbnm) with complete disorder of M and Sb cations, so the formula should be rewritten as Ca(M{sub 0.5}Sb{sub 0.5})O{sub 3}. Due to this disorder no evidences of Jahn-Teller distortion can be observed in the MnO{sub 6} octahedra of Ca(Mn{sub 0.5}Sb{sub 0.5})O{sub 3}, in contrast with the ordered double perovskite Sr{sub 2}MnSbO{sub 6}. Ca(Fe{sub 0.5}Sb{sub 0.5})O{sub 3} behaves as an antiferromagnet with an ordered magnetic moment for Fe{sup 3+} of 1.53(4){mu}{sub B} and a propagation vector k = 0, as investigated by low-temperature NPD. The antiferromagnetic ordering is a result of the high degree of Fe/Sb anti-site disorder of the sample, which originates the spontaneous formation of Fe-rich islands, characterized by the presence of strong Fe-O-Fe antiferromagnetic couplings with enough long-range coherence to produce a magnetic contribution perceptible by NPD. By contrast, the magnetic structure of Ca(Mn{sub 0.5}Sb{sub 0.5})O{sub 3} cannot be observed by low-temperature NPD because the magnitude of the ordered magnetic moments is below the detection threshold for neutrons.

Optical investigations of La0.7Ca0.3-xKxMnO3 (x = 0.00, 0.05 and 0.10 probed by spectroscopic ellipsometry

Directory of Open Access Journals (Sweden)

N. Sdiri

2012-07-01

Full Text Available Using spectroscopic ellipsometry, we have studied the optical properties of doped manganites at the paramagnetic state in polycrystalline La0.7Ca0.3-xKxMnO3 samples for (x = 0.00, 0.05 and 0.10 in the energy range of 3.2-5.5 eV at room temperature. The surface morphology of the samples was obtained by using atomic force microscopy (AFM. Refractive indices, extinction coefficients, the transmission ellipsometric parameters Ψ and Δ are investigated at different wavelengths. The study of the optical conductivity σ reveals that optical behaviour and the activated transport in the paramagnetic state of these materials are consistent with Jahn-Teller small polaron. In addition, the spectrum of the complex dielectric constant ε reveals peaks for all samples, the results may be explained by the presence of space charges from the strongly dipole-allowed O(2p−Mn(3d transition.

High resolution photoemission study of Nd1-xSrxMnO3

International Nuclear Information System (INIS)

Togashi, T.; Osawa, H.; Shin, S.; Tanaka, K.; Isozumi, Y.; Iwazumi, T.; Nozawa, S.

2004-01-01

Full text:Nd 1-x SrxMnO 3 shows the negative colossal magnetoresistance and various electronic phases. In order to reveal their states, we have performed a high- resolution Mn 2p-3d resonance photoemission (RPES) study of Nd 1-x SrxMnO 3 with an energy resolution of 100 meV at BL25SU in SPring-8. Figure 1 shows the Mn 2p-3d RPES spectra of Nd 1-x SrxMnO 3 . It is found that the spectral line shape in the ground-state phases (GS) at low temperatures is closely related to the shape of MnO 6 octahedra depending on x due to a static Jahn- Teller (JT) effect while the line shape in the paramagnetic insulator (PI) phase near room temperature is qualitatively similar to each other irrespective of x. These results strongly suggest that the dynamical and static JT effects are responsible for the 3d electronic states at high and low temperatures, respectively

Breaking of the SU(4) limit for the Gamow-Teller strength in N{proportional_to}Z nuclei

Energy Technology Data Exchange (ETDEWEB)

Petermann, I. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); Gesellschaft fuer Schwerionenforschung Darmstadt, Darmstadt (Germany); Martinez-Pinedo, G. [Gesellschaft fuer Schwerionenforschung Darmstadt, Darmstadt (Germany); Langanke, K. [Gesellschaft fuer Schwerionenforschung Darmstadt, Darmstadt (Germany); Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); Caurier, E. [Universite Louis Pasteur, Institut de Recherches Subatomiques, Strasbourg (France)

2007-12-15

We have performed large-scale shell model calculations of the Gamow-Teller strength distributions in N{proportional_to}Z pf-shell nuclei. These calculations were motivated by the experimental attempts to measure the low-lying GT strength for the even-even N=Z+2 or N=Z-2 nuclei {sup 46}Ti, {sup 50}Cr, {sup 54}Fe and {sup 62}Ge, where a sizable low-energy GT strength could be interpreted as reminiscence of SU(4) symmetry; in the limit of exact SU(4) symmetry the GT{sub -} strength would be concentrated in a single transition to the lowest T=0, J=1{sup +} state in the daughter. We confirm that the SU(4) symmetry is strongly broken by the spin-orbit interaction and by increasing neutron excess. (orig.)

Origin of Small Barriers in Jahn–Teller Systems

DEFF Research Database (Denmark)

Barriuso, M. T.; Ortiz-Sevilla, B.; Aramburu, J. A.

2013-01-01

. It is quantitatively proven that the elongated geometry observed for NaCl:Ni+ is due to the 3d–4s vibronic admixture, which is slightly larger than the anharmonicity in the eg JT mode that favors a compressed geometry. The existence of these two competing mechanisms explains the low value of B for the model system......Despite its relevance, the microscopic origin of the energy barrier, B, between the compressed and elongated geometries of Jahn–Teller (JT) systems is not well understood yet because of a lack of quantitative data about its various contributions. Seeking to clear up this matter, we have carried out...

Rate-distortion analysis of steganography for conveying stereovision disparity maps

Science.gov (United States)

Umeda, Toshiyuki; Batolomeu, Ana B. D. T.; Francob, Filipe A. L.; Delannay, Damien; Macq, Benoit M. M.

2004-06-01

3-D images transmission in a way which is compliant with traditional 2-D representations can be done through the embedding of disparity maps within the 2-D signal. This approach enables the transmission of stereoscopic video sequences or images on traditional analogue TV channels (PAL or NTSC) or printed photographic images. The aim of this work is to study the achievable performances of such a technique. The embedding of disparity maps has to be seen as a global rate-distortion problem. The embedding capacity through steganography is determined by the transmission channel noise and by the bearable distortion on the watermarked image. The distortion of the 3-D image displayed as two stereo views depends on the rate allocated to the complementary information required to build those two views from one reference 2-D image. Results from the works on the scalar Costa scheme are used to optimize the embedding of the disparity map compressed bit stream into the reference image. A method for computing the optimal trade off between the disparity map distortion and embedding distortion as a function of the channel impairments is proposed. The goal is to get a similar distortion on the left (the reference image) and the right (the disparity compensated image) images. We show that in typical situations the embedding of 2 bits/pixels in the left image, while the disparity map is compressed at 1 bit per pixel leads to a good trade-off. The disparity map is encoded with a strong error correcting code, including synchronisation bits.

New SUSYQM coherent states for Pöschl-Teller potentials: a detailed mathematical analysis

Science.gov (United States)

Bergeron, H.; Siegl, P.; Youssef, A.

2012-06-01

In a recent short note (Bergeron et al 2010 Europhys. Lett. 92 60003), we have presented the good properties of a new family of semi-classical states for Pöschl-Teller potentials. These states are built from a supersymmetric quantum mechanics (SUSYQM) approach and the parameters of these ‘coherent’ states are points in the classical phase space. In this paper, we develop all the mathematical aspects that have been left out of the previous paper (proof of the resolution of unity, detailed calculations of the quantized version of classical observables and mathematical study of the resulting operators: problems of domains, self-adjointness or self-adjoint extensions). Some additional questions such as asymptotic behavior are also studied. Moreover, the framework is extended to a larger class of Pöschl-Teller potentials. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical devoted to ‘Coherent states: mathematical and physical aspects’.

New SUSYQM coherent states for Pöschl–Teller potentials: a detailed mathematical analysis

International Nuclear Information System (INIS)

Bergeron, H; Siegl, P; Youssef, A

2012-01-01

In a recent short note (Bergeron et al 2010 Europhys. Lett. 92 60003), we have presented the good properties of a new family of semi-classical states for Pöschl–Teller potentials. These states are built from a supersymmetric quantum mechanics (SUSYQM) approach and the parameters of these ‘coherent’ states are points in the classical phase space. In this paper, we develop all the mathematical aspects that have been left out of the previous paper (proof of the resolution of unity, detailed calculations of the quantized version of classical observables and mathematical study of the resulting operators: problems of domains, self-adjointness or self-adjoint extensions). Some additional questions such as asymptotic behavior are also studied. Moreover, the framework is extended to a larger class of Pöschl–Teller potentials. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical devoted to ‘Coherent states: mathematical and physical aspects’. (paper)

Direct probe of the bent and linear geometries of the core-excited Renner-Teller pair states by means of the triple-ion-coincidence momentum imaging technique

International Nuclear Information System (INIS)

Muramatsu, Y.; Ueda, K.; Chiba, H.; Saito, N.; Lavollee, M.; Czasch, A.; Weber, T.; Jagutzki, O.; Schmidt-Boecking, H.; Moshammer, R.; Becker, U.; Kubozuka, K.; Koyano, I.

2002-01-01

The doubly degenerate core-excited Π state of CO 2 splits into two due to static Renner-Teller effect. Using the triple-ion-coincidence momentum imaging technique and focusing on the dependence of the measured quantities on the polarization of the incident light, we have probed, directly and separately, the linear and bent geometries for the B 1 and A 1 Renner-Teller pair states, as a direct proof of the static Renner-Teller effect

Investigating the Human Computer Interaction Problems with Automated Teller Machine Navigation Menus

Science.gov (United States)

Curran, Kevin; King, David

2008-01-01

Purpose: The automated teller machine (ATM) has become an integral part of our society. However, using the ATM can often be a frustrating experience as people frequently reinsert cards to conduct multiple transactions. This has led to the research question of whether ATM menus are designed in an optimal manner. This paper aims to address the…

Selectivity of face distortion aftereffects for differences in expression or gender

Directory of Open Access Journals (Sweden)

Megan eTillman

2012-01-01

Full Text Available The perceived configuration of a face can be strongly biased by prior adaptation to a face with a distorted configuration. These aftereffects have been found to be weaker when the adapt and test faces differ along a number of dimensions. We asked whether the adaptation shows more transfer between faces that share a common identity, by comparing the strength of aftereffects when the adapt and test faces differed either in expression (a configural change in the same face identity or gender (a configural change between identities. Observers adapted to expanded or contracted images of either male or female faces with either happy or fearful expressions, and then judged the perceived configuration in either the same faces or faces with a different gender and/or expression. The adaptation included exposure to a single face (e.g. expanded happy or to alternated faces where the distortion was contingent on the attribute (e.g. expanded happy vs. contracted fearful. In all cases the aftereffects showed strong transfer and thus only weak selectivity. However, selectivity was equal or stronger for the change in expression than gender. Our results thus suggest that the distortion aftereffects between faces can be weakly modulated by both variant and invariant attributes of the face.

PERSAMAAN SCHRODINGER D-DIMENSI BAGIAN SUDUT POTENSIAL POSCHL-TELLER HIPERBOLIK TERDEFORMASI Q PLUS ROSEN-MORSE TRIGONOMETRI MENGGUNAKAN METODE NIKIFOROV-UVAROV

Directory of Open Access Journals (Sweden)

S. Suparmi

2016-11-01

Full Text Available Metode Nikivarof Uvarov merupakan metode penyelesaian persamaan diferensial orde dua dengan mengubah persamaan diferensial orde dua yang umum (persamaan Schrodinger menjadi persamaan diferensial tipe hipergeometrik melalui substitusi variabel yang sesuai untuk memperoleh eigen value dan fungsi gelombang bagian sudut. Penelitian ini merupakan studi literatur untuk menyelesaikan persamaan Schrodinger D-dimensi bagian sudut dengan potensial Poschl-Teller Hiperbolik Terdeformasi q plus Rosen Morse Trigonometri Terdeformasi q menggunakan metode Nikiforov-Uvarov (NU. Pada penelitian ini bertujuan untuk mengetahui bagaimana fungsi gelombang bagian sudut persamaan schrodinger D-dimensi  untuk potensial Poschl-Teller Hiperbolik Terdeformasi q plus Rosen Morse Trigonometri Terdeformasi q menggunakan metode Nikiforov-Uvarov (NU.Nikivarof Uvarov is a method to solve second order differential equations by changing general second order differential equation to hyper-geometric differential equation type through substituting relevant variable to obtain eigenvalues and the angle of wave function. This is a literature study to solve the D-dimensional Schrodinger equation with a corner section q Deformed Hyperbolic Poschl Teller plus q Deformed Trigonometric Rosen-Morse Potential using Nikiforov-Uvarov (NU. This study aims to determine the way the angle of wave function of D-dimensional Schrodinger equation for q-Deformed Hyperbolic Poschl Teller plus q Deformed  Trigonometric Rosen-Morse Potential using Nikiforov-Uvarov (NU. 

Limited distortion in LSB steganography

Science.gov (United States)

Kim, Younhee; Duric, Zoran; Richards, Dana

2006-02-01

It is well known that all information hiding methods that modify the least significant bits introduce distortions into the cover objects. Those distortions have been utilized by steganalysis algorithms to detect that the objects had been modified. It has been proposed that only coefficients whose modification does not introduce large distortions should be used for embedding. In this paper we propose an effcient algorithm for information hiding in the LSBs of JPEG coefficients. Our algorithm uses parity coding to choose the coefficients whose modifications introduce minimal additional distortion. We derive the expected value of the additional distortion as a function of the message length and the probability distribution of the JPEG quantization errors of cover images. Our experiments show close agreement between the theoretical prediction and the actual additional distortion.

Effect of lanthanide on the microstructure and structure of LnMn0.5Fe0.5O3 nanoparticles with Ln=La, Pr, Nd, Sm and Gd prepared by the polymer precursor method

International Nuclear Information System (INIS)

Romero, Mariano; Faccio, Ricardo; Martínez, Javier; Pardo, Helena; Montenegro, Benjamín; Plá Cid, Cristiani Campos; Pasa, André A.

2015-01-01

The synthesis of LnMn 0.5 Fe 0.5 O 3 perovskite nanoparticles by the polymer precursor method showed a strong intrinsic dependence with different lanthanides (Ln=La, Pr, Nd, Sm and Gd). The polymerization level reached in the polymer precursor was proportional to the atomic number of lanthanide with exception of samarium, which showed the formation of a different precursor based in a citrate chelate with ethyleneglycol bonded as adduct. The increasing level of polymerization of the polymer precursors showed the formation of large-size perovskite nanoparticles after its calcination. SAXS and TEM analyses suggested that nanoparticles obtained, using this method, have a squared-like microstructure in connection with the polymer precursor microstructure. Structural analysis showed an orthorhombic structure with a slight decline in the Jahn–Teller distortion when the atomic number of lanthanide increases. Mössbauer spectroscopy showed the presence of a majority site in agreement with the Pbnm orthorhombic structure best fitted with Rietveld refinements and in some cases, a more distorted site attributed to local inhomogeneities and oxygen vacancies. - Highlights: • Precursor polymerization level is lower in the presence of lighter lanthanides. • Lighter lanthanide perovskite nanoparticles after calcination are lower-sized. • Nanoparticles obtained by this method have lamellae microstructure. • Jahn–Teller distortion declines for heavier lanthanide perovskites. • Oxygen vacancy phase was observed in lighter lanthanide perovskites

Gamow-teller transitions: progress and problems

International Nuclear Information System (INIS)

Walter, G.

1994-01-01

The determination of the Gamow-Teller (GT) matrix elements from beta-decay and charge exchange reactions has led to a series of discoveries concerning the structure of the nucleus and the properties of spin-isospin transitions in nuclei. The study of GT distribution and strength, either by charge exchange or weak decay, provides excellent tests for nuclear models as these parameters are extremely sensitive to the details of nuclear structure. Recent improvements of these models have reduced, for the most part, differences between experiment and theory, allowing in turn a more reliable estimate of weak decay rates in stellar matter. A better understanding of the 'missing strength' and of the failure of many experiments to detect the strength that is present have also been obtained. Recently, it appears also that weak decay studies in selected region (proton or neutron rich) of the N-Z plane give access to the GT giant resonance. (J.S.). 65 refs., 10 figs

Structural distortion and electronic properties of NiO under high pressure: an ab initio GGA+U study

International Nuclear Information System (INIS)

Zhang Weibing; Hu Yulin; Han Keli; Tang Biyu

2006-01-01

The structural distortion and electronic properties of NiO under high pressure are investigated by means of first-principles calculations within the density functional theory (DFT) in the generalized gradient approximation (GGA). The strong electronic correlations are also taken into account in the form of GGA+U. Recent experiments implied that previous local density approximation (LDA) calculations incorrectly predicted structural distortion under high pressure, especially above 60 GPa. The present results show that even GGA calculations do not give a proper description of structural distortion under high pressure, although much improved structural and bulk properties are obtained. When strong correlations are included, overall agreement of the structural distortions of NiO under high pressure is obtained. The lattice constants a and c as well as the axial ratio c/a are in good agreement with experiment over the entire experimental pressure range. The successful prediction of the structural distortion of GGA+U can be attributed to the reasonable description of nearest-neighbour magnetic exchange interactions. In addition, we also analyse the density of states under different pressures. Present results indicate that, with increasing pressure, the bandwidth increases and the bandgap transits from being a mixture of charge-transfer and Mott-Hubbard type towards solely Mott-Hubbard type

Modeling distortion of HIT by an Actuator Disk in a periodic domain

Science.gov (United States)

Ghate, Aditya; Ghaisas, Niranjan; Lele, Sanjiva

2017-11-01

We study the distortion of incompressible, homogeneous isotropic turbulence (HIT) by a dragging actuator disk with a fixed thrust coefficient (under the large Reynolds number limit), using Large Eddy Simulation (LES). The HIT inflow is tailored to ensure that the largest length scales in the flow are smaller than the actuator disk diameter in order to minimize the meandering of the turbulent wake and isolate the length scales that undergo distortion. The numerical scheme (Fourier collocation with dealiasing) and the SGS closure (anisotropic minimum dissipation model) are carefully selected to minimize numerical artifacts expected due to the inviscid assumption. The LES is used to characterize the following 3 properties of the flow a) distortion of HIT due to the expanding streamtube resulting in strong anisotropy, b) turbulent pressure modulation across the actuator disk, and the c) turbulent wake state. Finally, we attempt to model the initial distortion and the pressure modulation using a WKB variant of RDT solved numerically using a set of discrete Gabor modes. Funding provided by Precourt Institute for Energy at Stanford University.

Gamow-Teller decay of T = 1 nuclei to odd-odd N = Z nuclei

Energy Technology Data Exchange (ETDEWEB)

Lisetskiy, A F [National Superconducting Cyclotron Laboratory, MSU, East Lansing, MI 48824 (United States); Gelberg, A [Institute for Nuclear Physics, University of Cologne, 50937 Cologne (Germany); Institute of Physical and Chemical Reasearch (RIKEN), Wako, 351-0198 (Japan); Brentano, P von [Institute for Nuclear Physics, University of Cologne, 50937 Cologne (Germany)

2005-01-01

Transition strengths of Gamow-Teller decay of T{sub z} = {+-}1 nuclei to N = Z odd-odd nuclei have been calculated in a two-nucleon approximation for spherical and deformed nuclei. The results obtained for the latter are quite close to the values obtained by full-space shell-model calculations and to the experiment.

Low temperature ultrasonic investigation of ZnSe crystals doped with Ni

Energy Technology Data Exchange (ETDEWEB)

Gudkov, Vladimir [Institute for Metal Physics, Ural Department of the Russian Academy of Sciences, 18, Kovalevskaya st., 620219 Ekaterinburg (Russian Federation); Russian State Vocational Pedagogical University, 11, Mashinostroitelei st., 620012 Ekaterinburg (Russian Federation); Lonchakov, Alexander; Sokolov, Victor; Zhevstovskikh, Irina; Gruzdev, Nikita [Institute for Metal Physics, Ural Department of the Russian Academy of Sciences, 18, Kovalevskaya st., 620219 Ekaterinburg (Russian Federation)

2005-03-01

The peak of ultrasonic absorption observed at {approx}13 K in ZnSe:Ni crystals with dopant concentration of 5.5 x 10{sup 19} cm{sup -3} was interpreted as due to the Jahn-Teller effect. The dynamic contribution to the effective elastic modulus was accounted for and the temperature dependences of relaxation time, relaxed and unrelaxed modulus C{sub 44} were obtained. The procedure of accounting for the dynamic contribution resulted in a more accurate determination of the temperature of phase transition. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Phonon renormalization at small q values in the high-temperature phase of CsCuCl sub 3

CERN Document Server

Foerster, U; Schotte, U; Stuhr, U

1997-01-01

The hexagonal perovskite CsCuCl sub 3 exhibits a structural phase transition from a dynamically disordered high-temperature phase to an ordered low-temperature phase due to the cooperative Jahn-Teller effect. The lattice dynamics of the high-temperature phase has been studied by inelastic neutron scattering experiments. The investigations concentrated on small wave vectors q, where for the first time renormalized phonons at q=0.02-0.05 A sup - sup 1 could be observed. The measurements confirm the predictions of a theoretical approach based on the coupling between dynamic reorientation processes and acoustic lattice waves (pseudo-spin phonon coupling). (author)

Gamow Teller strength from charge exchange reactions at intermediate energies

International Nuclear Information System (INIS)

Haeusser, O.

1989-07-01

Detailed studies of the spin-isospin structure of nuclear excitations are possible at TRIUMF's medium resolution spectrometer using the (n,p), ( p → , p →/ ) and (p,n) reactions. We discuss here results on isospin symmetry of inelastic nucleon scattering reactions populating isospin triads in A=6 and A=12 nuclei. The β + Gamow Teller strength function from (n,p) reactions on (sd) and (fp) shell targets is found to be substantially quenched compared to current nuclear structure models using the free-nucleon axial-vector coupling constant. (Author) 22 refs., 3 figs

Analysis of Brown camera distortion model

Science.gov (United States)

Nowakowski, Artur; Skarbek, Władysław

2013-10-01

Contemporary image acquisition devices introduce optical distortion into image. It results in pixel displacement and therefore needs to be compensated for many computer vision applications. The distortion is usually modeled by the Brown distortion model, which parameters can be included in camera calibration task. In this paper we describe original model, its dependencies and analyze orthogonality with regard to radius for its decentering distortion component. We also report experiments with camera calibration algorithm included in OpenCV library, especially a stability of distortion parameters estimation is evaluated.

Welding distortion control in double walled KSTAR vacuum vessel fabrication

International Nuclear Information System (INIS)

Oh, D. W.; Lee, G. T.; Kim, H. K.; Yang, H. L.; Bak, J. S.

2004-01-01

The KSTAR(Korea Superconducting Tokamak Advanced Research) vacuum vessel is designed to be a double walled structure made of 12mm thick 316LN stainless steel with a D shaped cross-section about 4 m height. Vacuum vessel was pre-fabricated in two parts, 180 degree and 157.5 degree sectors in toroidal direction to meet the transportation purpose. These two parts have to be welded on site with ±2mm allowable fabrication tolerances. 1/3 scaled mock-up model was used to estimate the welding distortion and to ensure the weld quality of vacuum vessel. Gas Tungsten Arc Welding(GTAW), which has been approved by procedure qualification test, was used during mock-up test and vacuum vessel site fabrication. Welding distortion could be managed by allowing for distortion in opposite direction, by applying high restraint using lots of strong backs, by controlling the welding heat input with symmetrical welding sequence. The integrity of the site welding joint was assured by radiographic test, ultrasonic test and leak test with helium detecting method

Structural factors involved in the recognition of helix distortions in uv-damaged DNA by model peptides

Energy Technology Data Exchange (ETDEWEB)

Lang, H; Zimmer, C [Akademie der Wissenschaften der DDR, Jena. Forschungszentrum fuer Molekularbiologie und Medizin

1977-02-28

On the basis of our previous and present results concerning conformational changes of DNA after uv-irradiation some conclusions on the structure of DNA double helix in uv-damaged regions were drawn. From the results it appears that local distortions like denaturation or premelting should be excluded. Furthermore it was shown that the thymine dimerization strongly depends on the adjacent nucleic acid bases. By means of a strong binding effect of the oligopeptide netropsin to DNA irradiated at low uv-doses it is concluded that such local distortions in DNA together with a specific sequence-dependent variation of the conformation could act as recognition sites for endonucleases.

A Combined Variable-Temperature Neutron Diffraction and Thermogravimetric Analysis Study on a Promising Oxygen Electrode, SrCo0.9Nb0.1O3-δ, for Reversible Solid Oxide Fuel Cells.

Science.gov (United States)

Yang, Tianrang; Wang, Jie; Chen, Yan; An, Ke; Ma, Dong; Vogt, Thomas; Huang, Kevin

2017-10-11

The present study investigates the temperature-structure-stoichiometry relationship of a promising oxygen electrode SrCo 0.9 Nb 0.1 O 3-δ over a temperature (T) range from room temperature (RT) to 900 °C. The techniques employed are variable-temperature neutron diffraction (VTND) and thermogravimetric analysis (TGA). At T < 75 °C, VTND reveals a tetragonal (P4/mmm) structure with a G-type magnetic ordering. Above 75 °C, the nucleus structure remains the same, while the magnetic ordering disappears. A phase transition from tetragonal (P4/mmm) to cubic (Pm3̅m) is observed at 412 °C, where the two Co sites and three O sites in the P4/mmm phase converge to one equivalent site, respectively. The phase transition temperature coincides with the peak temperature of oxygen uptake obtained by TGA. It is also observed that the Nb dopant has no preferred Co site to occupy. The oxygen vacancies are mostly located at the O3 site surrounding the Co2 site in the P4/mmm structure. The intermediate-spin state of Co 3+ at the Co2 site is responsible for the observed distortions of CoO 6 octahedra, i.e., elongation of Co2O 6 octahedra and shortening of Co1O 6 octahedra along the c-axis, which is a phenomenon known as Jahn-Teller distortion. At high temperatures, large thermal displacement factor for O 2- is observed with high concentration of oxygen vacancies, providing a structural environment favorable to high O 2- conductivity in Nb-doped SrCoO 3 -based oxygen electrode materials.

Quality Evaluation and Nonuniform Compression of Geometrically Distorted Images Using the Quadtree Distortion Map

Directory of Open Access Journals (Sweden)

Cristina Costa

2004-09-01

Full Text Available The paper presents an analysis of the effects of lossy compression algorithms applied to images affected by geometrical distortion. It will be shown that the encoding-decoding process results in a nonhomogeneous image degradation in the geometrically corrected image, due to the different amount of information associated to each pixel. A distortion measure named quadtree distortion map (QDM able to quantify this aspect is proposed. Furthermore, QDM is exploited to achieve adaptive compression of geometrically distorted pictures, in order to ensure a uniform quality on the final image. Tests are performed using JPEG and JPEG2000 coding standards in order to quantitatively and qualitatively assess the performance of the proposed method.

Cognitive Distortions, Humor Styles, and Depression.

Science.gov (United States)

Rnic, Katerina; Dozois, David J A; Martin, Rod A

2016-08-01

Cognitive distortions are negative biases in thinking that are theorized to represent vulnerability factors for depression and dysphoria. Despite the emphasis placed on cognitive distortions in the context of cognitive behavioural theory and practice, a paucity of research has examined the mechanisms through which they impact depressive symptomatology. Both adaptive and maladaptive styles of humor represent coping strategies that may mediate the relation between cognitive distortions and depressive symptoms. The current study examined the correlations between the frequency and impact of cognitive distortions across both social and achievement-related contexts and types of humor. Cognitive distortions were associated with reduced use of adaptive Affiliative and Self-Enhancing humor styles and increased use of maladaptive Aggressive and Self-Defeating humor. Reduced use of Self-Enhancing humor mediated the relationship between most types of cognitive distortions and depressed mood, indicating that distorted negative thinking may interfere with an individual's ability to adopt a humorous and cheerful outlook on life (i.e., use Self-Enhancing humor) as a way of regulating emotions and coping with stress, thereby resulting in elevated depressive symptoms. Similarly, Self-Defeating humor mediated the association of the social impact of cognitive distortions with depression, such that this humor style may be used as a coping strategy for dealing with distorted thinking that ultimately backfires and results in increased dysphoria.

Distortion Control during Welding

NARCIS (Netherlands)

Akbari Pazooki, A.M.

2014-01-01

The local material expansion and contraction involved in welding result in permanent deformations or instability i.e., welding distortion. Considerable efforts have been made in controlling welding distortion prior to, during or after welding. Thermal Tensioning (TT) describes a group of in-situ

Automated Biometric Voice-Based Access Control in Automatic Teller Machine (ATM)

OpenAIRE

Yekini N.A.; Itegboje A.O.; Oyeyinka I.K.; Akinwole A.K.

2012-01-01

An automatic teller machine requires a user to pass an identity test before any transaction can be granted. The current method available for access control in ATM is based on smartcard. Efforts were made to conduct an interview with structured questions among the ATM users and the result proofed that a lot of problems was associated with ATM smartcard for access control. Among the problems are; it is very difficult to prevent another person from attaining and using a legitimate persons card, ...

Fish's Muscles Distortion and Pectoral Fins Propulsion of Lift-Based Mode

Science.gov (United States)

Yang, S. B.; Han, X. Y.; Qiu, J.

As a sort of MPF(median and/or paired fin propulsion), pectoral fins propulsion makes fish easier to maneuver than other propulsion, according to the well-established classification scheme proposed by Webb in 1984. Pectoral fins propulsion is classified into oscillatory propulsion, undulatory propulsion and compound propulsion. Pectoral fins oscillatory propulsion, is further ascribable to two modes: drag-based mode and lift-based mode. And fish exhibits strong cruise ability by using lift-based mode. Therefore to robot fish design using pectoral fins lift-based mode will bring a new revolution to resources exploration in blue sea. On the basis of the wave plate theory, a kinematic model of fish’s pectoral fins lift-based mode is established associated with the behaviors of cownose ray (Rhinoptera bonasus) in the present work. In view of the power of fish’s locomotion from muscle distortion, it would be helpful benefit to reveal the mechanism of fish’s locomotion variation dependent on muscles distortion. So this study puts forward the pattern of muscles distortion of pectoral fins according to the character of skeletons and muscles of cownose ray in morphology and simulates the kinematics of lift-based mode using nonlinear analysis software. In the symmetrical fluid field, the model is simulated left-right symmetrically or asymmetrically. The results qualitatively show how muscles distortion determines the performance of fish locomotion. Finally the efficient muscles distortion associated with the preliminary dynamics is induced.

TPC track distortions IV: post tenebras lux

CERN Document Server

Ammosov, V; Boyko, I; Chelkov, G; Dedovitch, D; Dydak, F; Elagin, A; Gostkin, M; Guskov, A; Koreshev, V; Krumshtein, Z; Nefedov, Y; Nikolaev, K; Wotschack, J; Zhemchugov, A

2007-01-01

We present a comprehensive discussion and summary of static and dynamic track distortions in the HARP TPC in terms of physical origin, mathematical modelling and correction algorithms. `Static' distortions are constant with time, while `dynamic' distortions are distortions that occur only during the 400 ms long accelerator spill. The measurement of dynamic distortions, their mathematical modelling and the correction algorithms build on our understanding of static distortions. In the course of corroborating the validity of our static distortion corrections, their reliability and precision was further improved. Dynamic TPC distortions originate dominantly from the `stalactite' effect: a column of positive-ion charge starts growing at the begin of the accelerator spill, and continues growing with nearly constant velocity out from the sense-wire plane into the active TPC volume. However, the `stalactite' effect is not able to describe the distortions that are present already at the start of the spill and which ha...

Isospectral Trigonometric Pöschl-Teller Potentials with Position Dependent Mass Generated by Supersymmetry

International Nuclear Information System (INIS)

Santiago-Cruz, C

2016-01-01

In this work a position dependent mass Hamiltonian with the same spectrum of the trigonometric Pöschl-Teller one was constructed by means of the underlying potential algebra. The corresponding wave functions are determined by using the factorization method. A new family of isospectral potentials are constructed by applying a Darboux transformation. An example is presented in order to illustrate the formalism. (paper)

Frequency modulation television analysis: Distortion analysis

Science.gov (United States)

Hodge, W. H.; Wong, W. H.

1973-01-01

Computer simulation is used to calculate the time-domain waveform of standard T-pulse-and-bar test signal distorted in passing through an FM television system. The simulator includes flat or preemphasized systems and requires specification of the RF predetection filter characteristics. The predetection filters are modeled with frequency-symmetric Chebyshev (0.1-db ripple) and Butterworth filters. The computer was used to calculate distorted output signals for sixty-four different specified systems, and the output waveforms are plotted for all sixty-four. Comparison of the plotted graphs indicates that a Chebyshev predetection filter of four poles causes slightly more signal distortion than a corresponding Butterworth filter and the signal distortion increases as the number of poles increases. An increase in the peak deviation also increases signal distortion. Distortion also increases with the addition of preemphasis.

Description of the Gamov-Teller β+-decay of tin isotopes

International Nuclear Information System (INIS)

Kuz'min, V.A.; Solov'ev, V.G.

1988-01-01

The integrated log(ft) values of Gamow-Teller β + decays of the neutron-deficient tine isotopes are calculated in the random phase approximation with particle-hole and particle-particle residual interactions which parameters have been fixed earlier. For |g A /g V |=1 and |g A /g V |=1.263 a good correspondence with the experimental data is obtained for 104,106,108 Sn and a prediction is made for 102 Sn. It is shown that one cannot define from the rate of neutron-deficient nuclei β + decay the renormalization of the axial-vector weak interaction constant g A

AES Cardless Automatic Teller Machine (ATM) Biometric Security System Design Using FPGA Implementation

Science.gov (United States)

Ahmad, Nabihah; Rifen, A. Aminurdin M.; Helmy Abd Wahab, Mohd

2016-11-01

Automated Teller Machine (ATM) is an electronic banking outlet that allows bank customers to complete a banking transactions without the aid of any bank official or teller. Several problems are associated with the use of ATM card such card cloning, card damaging, card expiring, cast skimming, cost of issuance and maintenance and accessing customer account by third parties. The aim of this project is to give a freedom to the user by changing the card to biometric security system to access the bank account using Advanced Encryption Standard (AES) algorithm. The project is implemented using Field Programmable Gate Array (FPGA) DE2-115 board with Cyclone IV device, fingerprint scanner, and Multi-Touch Liquid Crystal Display (LCD) Second Edition (MTL2) using Very High Speed Integrated Circuit Hardware (VHSIC) Description Language (VHDL). This project used 128-bits AES for recommend the device with the throughput around 19.016Gbps and utilized around 520 slices. This design offers a secure banking transaction with a low rea and high performance and very suited for restricted space environments for small amounts of RAM or ROM where either encryption or decryption is performed.

The Rovibronic Spectra of the Cyclopentadienyl Radical

Science.gov (United States)

Sharma, Ketan; Miller, Terry A.; Stanton, John F.; Nesbitt, David

2017-06-01

Cyclopentadienyl (Cp) radical has been subject to numerous studies for the greater part of half a century. Experimental work has involved photo-electron spectroscopy, laser induced fluorescence excitation and emission, infrared absorption spectroscopy, and recently rotationally resolved spectra in the CH stretch region taken at JILA. Even more theoretical works appear in the literature, but substantial advances in computation have occurred since their completion. Cp's highly symmetric (D_{5h}) structure and doubly degenerate electronic ground (˜{X}^2E_1^{''}), which is subject to linear Jahn-Teller distortion, have been a great motivation for work on it. We have commenced new computational work to obtain a broad understanding of the electronic, vibrational, and rotational, i.e. rovibronic, structure of the Cp radical as revealed by its spectra, with particular emphasis on the new infrared spectra. The goal is to guide experiments and their analyses and reconcile results from spectroscopy and quantum chemistry calculations. T. Ichino, et al. J. Chem. Phys. 129, 084310 (2008) L. Yu, S. C. Foster, J. M. Williamson, M. C. Heaven and T. A. Miller J. Phys. Chem. 92, 4263 (1988) B. E. Applegate, A. J. Bezant and T. A. Miller J. Chem. Phys 114, 4869 (2001) D. Leicht, M. Kaufmann, G. Schwaab, and M. Havenith J. Chem. Phys. 145, 7 (2016), 074304.

Contribution of on-site Coulomb repulsion energy to structural, electronic and magnetic properties of SrCoO3 for different space groups: first-principles study

Directory of Open Access Journals (Sweden)

Muhammady Shibghatullah

2018-03-01

Full Text Available We report structural, electronic, and magnetic properties of SrCoO3 in Pm3̅m and P4/mbm space groups, which are calculated by using generalized gradient approximation corrected with on-site Coulomb repulsion U and exchange energies J. The cubic lattice parameter a and local magnetic moments of Co (μCo are optimized by varying U at Co 3d site. Employing ultrasoft pseudopotential, the values of U = 8 eV and J = 0.75 eV are the best choice for Pm3̅m space group. We found the value of μCo = 2.56 μB, which is consistent with the previous results. It was also found that Co 3d, hybridized with O 2p, is the main contributor to ferromagnetic metallic properties. Besides, norm-conserving pseudopotential promotes a, which is in good agreement with experimental result. However, it is not suitable for P4/mbm space group. By using ultrasoft pseudopotential, the value of U = 3 eV (J = 0.75 is the most suitable for P4/mbm group. Ferromagnetic metallic properties, Jahn-Teller distortion, and reasonable lattice parameters have been obtained. This study shows that U has significant contribution to the calculated properties and also points out that P4/mbm space group with US-PP is suitable to describe experimental results.

Investigation of the charge-orbital ordering mechanism in single-layered Pr0.5Ca1.5MnO4

Science.gov (United States)

Rangkuti, C. N.; Majidi, M. A.

2018-04-01

Motivated by the experimental study of half-doped single-layered Pr0.5Ca1.5MnO4 showing charge, orbital, and spin orderings [1], we propose a model to theoretically study the system to explain such ordering phenomena. The ground state electron configuration reveals that the charges form a checkerboard pattern with alternating Mn3+/Mn4+ sites, while the orbitals are aligned in zigzag chains [1, 2]. We calculate the ground state energy of this system to find the most preferable configuration by comparing three types of configurations (charge-unordered, charge-ordered, and charge-orbital-ordered states). The calculations are based on a tight-binding model representing effective electron hoppings among Mn ions in MnO2-plane. We take into account the horizontally- and vertically-oriented orbital and spin degrees of freedom at Mn sites. We assume that the hopping integral values depend on the relative orientation between the corresponding orbitals of adjacent Mn ions. The interaction terms we incorporate into our effective Hamiltonian include inter-orbital, intra-orbital Hubbard repulsions, and Jahn-Teller distortion [2]. We absorb the exchange interaction between spins into local self-energy that we calculate within dynamical mean field algorithm [2]. Within our model we show a circumstance in which the charge-orbital ordered configuration has the lowest energy, consistent with the ground state ordering revealed by the experimental data.

Electron density in non-ideal metal complexes. Pt. 1

International Nuclear Information System (INIS)

Varghese, J.N.; Maslen, E.N.

1985-01-01

The structure of copper sulphate pentahydrate was refined using an accurate set of X-ray data: Msub(r)=249.68, triclinic, Panti 1, a=6.1224(4), b=10.7223(4), c=5.9681(4) A, α=82.35(2), β=107.33(2), γ=102.60(4) 0 , V=364.02(3) A 3 , Z=2, Dsub(x)=2.278 Mg m -3 , Mo Kα, lambda=0.71069 A, μ=3.419 mm -1 , F(000)=254.0, T=298 K, R=0.039 for 7667 reflections. The structural parameters are compared with those obtained by neutron diffraction. The differences between X-ray and neutron positions are related to the hydrogen bonding in the structure. The dominant features in the residual density near the two crystallographically independent Cu atoms result from the redistribution of 3d electrons due to bonding. The density is anisotropic, as expected in view of the Jahn-Teller distortion in the structure. Marked differences in the d-electron distributions for the two Cu atoms correlate with small variations in molecular geometry. Second-nearest-neighbour effects, such as those arising from differently oriented ligating waters, are significant in this structure. Sharp features in the difference density close to the Cu nuclei are similar to those in other Cu 2+ complexes, indicating that the electron density in this region is more reliable than previously believed. (orig.)

Magnetotransport properties of La0.67Ca0.33MnO3 with different grain sizes

International Nuclear Information System (INIS)

Ewe, L.S.; Hamadneh, I.; Salama, H.; Halim, S.A.; Hamid, N.A.; Abd-Shukor, R.

2009-01-01

The magnetotransport and magnetoresistive (MR) properties of manganese-based La 0.67 Ca 0.33 MnO 3 perovskite with different grain sizes are reported. The electrical resistivity was measured as a function of temperature in magnetic fields of 0.5 and 1 T. The insulator-metal transition temperature, T IM , shifted to a higher temperature with the application of the magnetic field. In zero field, T IM is almost constant (∝271 K) for all samples except for the sample with the largest grain size, where T IM =265 K. The temperature dependence of resistivity was fitted with several equations in the metallic (ferromagnetic) region and the insulating (paramagnetic) region. The density of states at the Fermi level, N(E F ), and the activation energy of electron hopping were estimated by fitting the resistivity versus temperature curves. The ρ-T 2 curves are nearly linear in the metallic regime, but the ρ-T 2.5 curves exhibit a deviation from linearity. The variable range hopping model and small polaron hopping model fit the data well in the high-temperature region, indicating the existence of the Jahn-Teller distortion that localizes the charge carriers. MR was found to increase with an increase in the magnetic field, an effect which is attributed to the intergrain spin tunneling effect. (orig.)

Structure-property correlation in PrFe0.5Mn0.5O2.95

International Nuclear Information System (INIS)

Ganeshraj, C.; Santhosh, P.N.; Sharma, Neetika; Das, A.; Mahendiran, R.

2014-01-01

PrFe 0.5 Mn 0.5 O 2.95 (PFMO) prepared by the conventional ceramic route is analyzed using a variety of techniques to understand the structural, magnetic and electrical properties. From the Neutron diffraction data it is concluded that PFMO crystallizes in an orthorhombic structure (Pnma). The magnetic structure can be represented as Γ 2 : C x G y F z , in Bertaut's notation, which has a net ferromagnetic moment along z-direction, and the spin component along x-direction (C x ) is found to be negligibly small. The canted G-type antiferromagnet PrFe 0.5 Mn 0.5 O 2.95 shows an enhanced Jahn-Teller (JT) distortion below 150 K (T*). The resistivity of the grains can be described by variable range hopping (VRH) between the localized states and there is a dominant grain boundary contribution to dc resistivity, below T*. Above T*, the total dc resistivity follows small polaron hopping (SPH) conduction. By means of complex impedance analysis, it is found that the observed giant dielectric response can be ascribed to Maxwell-Wagner polarization at the grain/grain boundary interfaces. Despite the low concentration of JT active Mn 3+ ions, our result indicates an important role of JT effect on physical properties of PrFe 0.5 Mn 0.5 O 2.95 . (author)

Studies of the g factors and the local structure of the orthorhombic Ni{sup +} center in KTaO{sub 3} crystal

Energy Technology Data Exchange (ETDEWEB)

Zhang Huaming, E-mail: huamingzhang66@gmail.com [Key Laboratory of Nondestructive Testing, Ministry of Education, Nanchang Hangkong University, Nanchang 330063 (China); Wan Xiong; Zhang Zhimin [Key Laboratory of Nondestructive Testing, Ministry of Education, Nanchang Hangkong University, Nanchang 330063 (China)

2012-06-15

The local structure and the g factor (g{sub x}, g{sub y}, and g{sub z}) of the Ni{sup +} center in KTaO{sub 3} are theoretically studied using the perturbation formulas of the g factors for a 3d{sup 9} ion in orthorhombically elongated octahedra. The orthorhombic field parameters are determined from the superposition model and the local geometry of the system. In view of the covalency, the contributions from the ligand orbital and spin-orbit coupling interactions are taken into account from the cluster approach. In the calculations, the orthorhombic center is attributed to Ni{sup +} occupying the host Ta{sup 5+} site, associated with the nearest-neighboring oxygen vacancy V{sub O} along the c-axis. Furthermore, the planar Ni{sup +}-O{sup 2-} bonds are found to experience the relative variation {Delta}R (Almost-Equal-To 0.076 A) along the a- and b-axis, respectively, due to the Jahn-Teller effect and the size mismatching substitution of Ta{sup 5+} by Ni{sup +}. Meanwhile, the effectively positive V{sub O} can make the central Ni{sup +} displace away from V{sub O} along the c-axis by about 0.20 A. The calculated g factors based on the above local distortions show good agreement with the experimental data.

Composition-dependent properties and phase stability of Fe-Pd ferromagnetic shape memory alloys: A first-principles study

Science.gov (United States)

Li, Chun-Mei; Hu, Yan-Fei

2017-12-01

The composition-dependent properties and their correlation with the phase stability of Fe75+xPd25-x (- 10.0 ≤x ≤10.0 ) alloys are systematically investigated by using first-principles exact muffin-tin orbitals (EMTO)-coherent potential approximation (CPA) calculations. It is shown that the martensitic transformation (MT) from L 12 to body-centered-tetragonal (bct) occurs in the ordered alloys with about -5.0 ≤x ≤10.0 . In both the L 12 and bct phases, the evaluated a and c/a agree well with the available experimental data; the average magnetic moment per atom increases whereas the local magnetic moments of Fe atoms, dependent on both their positions and the structure of the alloy, decrease with increasing x. The tetragonal shear elastic constant of the L 12 phase ( C ' ) decreases whereas that of the bct phase (Cs) increases with x. The tetragonality of the martensite ( |1 -c /a | ) increases whereas its energy relative to the austenite with a negative value decreases with Fe addition. All these effects account for the increase of MT temperature (TM) with x. The MT from L 12 to bct is finally confirmed originating from the splitting of Fe 3d Eg and T2 g bands upon tetragonal distortion due to the Jahn-Teller effect.

Atomic-scale understanding of non-stoichiometry effects on the electrochemical performance of Ni-rich cathode materials

Science.gov (United States)

Kong, Fantai; Liang, Chaoping; Longo, Roberto C.; Zheng, Yongping; Cho, Kyeongjae

2018-02-01

As the next-generation high energy capacity cathode materials for Li-ion batteries, Ni-rich oxides face the problem of obtaining near-stoichiometric phases due to excessive Ni occupying Li sites. These extra-Ni-defects drastically affect the electrochemical performance. Despite of its importance, the fundamental correlation between such defects and the key electrochemical properties is still poorly understood. In this work, using density-functional-theory, we report a comprehensive study on the effects of non-stoichiometric phases on properties of Ni-rich layered oxides. For instance, extra-Ni-defects trigger charge disproportionation reaction within the system, alleviating the Jahn-Teller distortion of Ni3+ ions, which constitutes an important reason for their low formation energies. Kinetic studies of these defects reveal their immobile nature, creating a "pillar effect" that increases the structural stability. Ab initio molecular dynamics revealed Li depletion regions surrounding extra-Ni-defects, which are ultimate responsible for the arduous Li diffusion and re-intercalation, resulting in poor rate performance and initial capacity loss. Finally, the method with combination of high valence cation doping and ion-exchange synthesis is regarded as the most promising way to obtain stoichiometric oxides. Overall, this work not only deepens our understanding of non-stoichiometric Ni-rich layered oxides, but also enables further optimizations of high energy density cathode materials.

Effects of rare-earth size on the electronic structure of La1−xLuxVO3.

Science.gov (United States)

Chen, B; Laverock, J; Newby, D; McNulty, J F; Smith, K E; Glans, P-A; Guo, J-H; Qiao, R-M; Yang, W-L; Lees, M R; Tung, L D; Singh, R P; Balakrishnan, G

2015-03-18

The electronic structure of La(1-x)Lu(x)VO(3)(x = 0, 0.2, 0.6 and 1) single crystals has been investigated using soft x-ray absorption spectroscopy, soft x-ray emission spectroscopy, and resonant soft x-ray inelastic scattering to study the effects of rare-earth size. The x-ray absorption and emission spectra at the O K-edge present a progressive evolution with R-site cation, in agreement with local spin density approximation calculations. This evolution with R, together with the temperature dependence of the O K-edge spectra, is attributed to changes in the crystal structure of La(1-x)Lu(x)VO(3). The crystal-field dd. excitations probed by resonant inelastic x-ray scattering at the V L(3)-edge exhibit an increase in energy and enhanced intensity with the decrease of R-site ionic radius, which is mainly attributed to the increased tilting magnitude of the VO(6) octahedra. Upon cooling to ~95 K, the dd* excitations are prominently enhanced in relative Intensity, in agreement with the formation of the Jahn.Teller distortion int he orbital ordering phase. Additionally, the dd* transitions of the mixed compounds are noticeably suppressed with respect to those of the pure compounds, possibly owing to the formation of C-type orbital ordering induced by large R-site size variances.

Generic distortion model for metrology under optical microscopes

Science.gov (United States)

Liu, Xingjian; Li, Zhongwei; Zhong, Kai; Chao, YuhJin; Miraldo, Pedro; Shi, Yusheng

2018-04-01

For metrology under optical microscopes, lens distortion is the dominant source of error. Previous distortion models and correction methods mostly rely on the assumption that parametric distortion models require a priori knowledge of the microscopes' lens systems. However, because of the numerous optical elements in a microscope, distortions can be hardly represented by a simple parametric model. In this paper, a generic distortion model considering both symmetric and asymmetric distortions is developed. Such a model is obtained by using radial basis functions (RBFs) to interpolate the radius and distortion values of symmetric distortions (image coordinates and distortion rays for asymmetric distortions). An accurate and easy to implement distortion correction method is presented. With the proposed approach, quantitative measurement with better accuracy can be achieved, such as in Digital Image Correlation for deformation measurement when used with an optical microscope. The proposed technique is verified by both synthetic and real data experiments.

Matrix elements of u and p for the modified Poeschl-Teller potential

International Nuclear Information System (INIS)

Gomez-Camacho, J; Lemus, R; Arias, J M

2004-01-01

Closed analytical expressions in terms of a single sum are obtained for the matrix elements of the momentum and the natural variable u tanh(αx) in the basis of the modified Poeschl-Teller (MPT) bound eigenstates. These matrix elements are first expressed in terms of Franck-Condon factors, which thereafter are substituted for analytic expressions. Expansions of the variables p and u in terms of creation and annihilation operators associated with the MPT bound eigenfunctions are also presented

Solution of Dirac equation for modified Poschl Teller plus trigonometric Scarf potential using Romanovsky polynomials method

International Nuclear Information System (INIS)

Prastyaningrum, I.; Cari, C.; Suparmi, A.

2016-01-01

The approximation analytical solution of Dirac equation for Modified Poschl Teller plus Trigonometric Scarf Potential are investigated numerically in terms of finite Romanovsky Polynomial. The combination of two potentials are substituted into Dirac Equation then the variables are separated into radial and angular parts. The Dirac equation is solved by using Romanovsky Polynomial Method. The equation that can reduce from the second order of differential equation into the differential equation of hypergeometry type by substituted variable method. The energy spectrum is numerically solved using Matlab 2011. Where the increase in the radial quantum number nr and variable of modified Poschl Teller Potential causes the energy to decrease. The radial and the angular part of the wave function also visualized with Matlab 2011. The results show, by the disturbance of a combination between this potential can change the wave function of the radial and angular part. (paper)

Comparison of Magnetization Tunneling in the Giant-Spin and Multi-Spin Descriptions of Single-Molecule Magnets

Science.gov (United States)

Liu, Junjie; Del Barco, Enrique; Hill, Stephen

2010-03-01

We perform a mapping of the spectrum obtained for a triangular Mn3 single-molecule magnet (SMM) with idealized C3 symmetry via exact diagonalization of a multi-spin (MS) Hamiltonian onto that of a giant-spin (GS) model which assumes strong ferromagnetic coupling and a spin S = 6 ground state. Magnetic hysteresis measurements on this Mn3 SMM reveal clear evidence that the steps in magnetization due to magnetization tunneling obey the expected quantum mechanical selection rules [J. Henderson et al., Phys. Rev. Lett. 103, 017202 (2009)]. High-frequency EPR and magnetization data are first fit to the MS model. The tunnel splittings obtained via the two models are then compared in order to find a relationship between the sixth order transverse anisotropy term B6^6 in GS model and the exchange constant J coupling the Mn^III ions in the MS model. We also find that the fourth order transverse term B4^3 in the GS model is related to the orientation of JahnTeller axes of Mn^III ions, as well as J

Structural, Raman, and dielectric studies on multiferroic Mn-doped Bi 1-xLax FeO 3 ceramics

KAUST Repository

Xing, Zhibiao

2014-04-03

Multiferroic Bi1-xLaxFeO3 [BLFO (x)] ceramics with x = 0.10-0.50 and Mn-doped BLFO (x = 0.30) ceramics with different doping contents (0.1-1.0 mol%) were prepared by solid-state reaction method. They were crystallized in a perovskite phase with rhombohedral symmetry. In the BLFO (x) system, a composition (x)-driven structural transformation (R3c→C222) was observed at x = 0.30. The formation of Bi2Fe 4O9 impure phase was effectively suppressed with increasing the x value, and the rhombohedral distortion in the BLFO ceramics was decreased, leading to some Raman active modes disappeared. A significant red frequency shift (~13 cm-1) of the Raman mode of 232 cm-1 in the BLFO ceramics was observed, which strongly perceived a significant destabilization in the octahedral oxygen chains, and in turn affected the local FeO6 octahedral environment. In the Mn-doped BLFO (x = 0.30) ceramics, the intensity of the Raman mode near 628 cm-1 was increased with increasing the Mn-doping content, which was resulted from an enhanced local Jahn-Teller distortions of the (Mn,Fe)O6 octahedra. Electron microscopy images revealed some changes in the ceramic grain sizes and their morphologies in the Mn-doped samples at different contents. Wedge-shaped 71° ferroelectric domains with domain walls lying on the {110} planes were observed in the BLFO (x = 0.30) ceramics, whereas in the 1.0 mol% Mn-doped BLFO (x = 0.30) samples, 71° ferroelectric domains exhibited a parallel band-shaped morphology with average domain width of 95 nm. Dielectric studies revealed that high dielectric loss of the BLFO (x = 0.30) ceramics was drastically reduced from 0.8 to 0.01 (measured @ 104 Hz) via 1.0 mol% Mn-doping. The underlying mechanisms can be understood by a charge disproportion between the Mn4+ and Fe2+ in the Mn-doped samples, where a reaction of Mn4+ + Fe2+→Mn3+ + Fe3+ is taken place, resulting in the reduction in the oxygen vacancies and a suppression of the electron hopping from Fe3+ to Fe2+ ions

Vibration and Fluorescence Spectra of Porphyrin- CoredBis(methylol-propionic Acid Dendrimers

Directory of Open Access Journals (Sweden)

Boris Minaev

2009-03-01

Full Text Available Bis-MPA dendron-coated free-base tetraphenylporphyrin and zinc-tetraphenyl-porphyrin (TPPH2 and TPPZn were studied in comparison with simple porphyrins (H2P, ZnP by theoretical simulation of their infrared, Raman and electronic absorption spectra, as well as fluorescense emission. Infrared and fluorescence spectra of the dendrimers were measured and interpreted along with time-resolved measurements of the fluorescence. The 0-1 emission band of the dendron substituted TPPZn was found to experience a "heavy substitution"-effect. The 0-1 vibronic emission signal is associated with a longer decay time (approx. 7 - 8 ns than the 0-0 emission (approx. 1 - 1.5 ns. The former contributed with more relative emission yield for larger dendron substituents, in agreement with the appearance of steady-state emission spectra showing increased contribution from the 0-1 vibronic fluorescence band at 650 nm. No such substitution effect was observed in the electronic or vibrational spectra of the substituted free-base variant, TPPH2. Vibration spectra of the parent porphyrins (H2P, ZnP, TPPH2 and TPPZn were calculated by density functional theory (DFT using the B3LYP/6-31G** approximation and a detailed analysis of the most active vibration modes was made based on both literature and our own experimental data. Based on the results of theoretical calculations the wide vibronic bands in the visible region were assigned. The vibronic structure also gave a qualitative interpretation of bands in the electronic absorption spectra as well as in fluorescence emission depending on the size of dendrimer substitution. From the results of time-dependent DFT calculations it is suggested that the TPPZn-cored dendrimers indicate strong vibronic interaction and increased Jahn-Teller distortion of the prophyrin core for larger dendrimer generations. Specifically, this leads to the entirely different behaviour of the emission spectra upon substitution of the TPPH2 and TPPZn

Structural, Raman, and dielectric studies on multiferroic Mn-doped Bi 1-xLax FeO 3 ceramics

KAUST Repository

Xing, Zhibiao; Zhu, Xinhua; Zhu, Jianmin; Liu, Zhiguo; Al-Kassab, Talaat

2014-01-01

Multiferroic Bi1-xLaxFeO3 [BLFO (x)] ceramics with x = 0.10-0.50 and Mn-doped BLFO (x = 0.30) ceramics with different doping contents (0.1-1.0 mol%) were prepared by solid-state reaction method. They were crystallized in a perovskite phase with rhombohedral symmetry. In the BLFO (x) system, a composition (x)-driven structural transformation (R3c→C222) was observed at x = 0.30. The formation of Bi2Fe 4O9 impure phase was effectively suppressed with increasing the x value, and the rhombohedral distortion in the BLFO ceramics was decreased, leading to some Raman active modes disappeared. A significant red frequency shift (~13 cm-1) of the Raman mode of 232 cm-1 in the BLFO ceramics was observed, which strongly perceived a significant destabilization in the octahedral oxygen chains, and in turn affected the local FeO6 octahedral environment. In the Mn-doped BLFO (x = 0.30) ceramics, the intensity of the Raman mode near 628 cm-1 was increased with increasing the Mn-doping content, which was resulted from an enhanced local Jahn-Teller distortions of the (Mn,Fe)O6 octahedra. Electron microscopy images revealed some changes in the ceramic grain sizes and their morphologies in the Mn-doped samples at different contents. Wedge-shaped 71° ferroelectric domains with domain walls lying on the {110} planes were observed in the BLFO (x = 0.30) ceramics, whereas in the 1.0 mol% Mn-doped BLFO (x = 0.30) samples, 71° ferroelectric domains exhibited a parallel band-shaped morphology with average domain width of 95 nm. Dielectric studies revealed that high dielectric loss of the BLFO (x = 0.30) ceramics was drastically reduced from 0.8 to 0.01 (measured @ 104 Hz) via 1.0 mol% Mn-doping. The underlying mechanisms can be understood by a charge disproportion between the Mn4+ and Fe2+ in the Mn-doped samples, where a reaction of Mn4+ + Fe2+→Mn3+ + Fe3+ is taken place, resulting in the reduction in the oxygen vacancies and a suppression of the electron hopping from Fe3+ to Fe2+ ions

Guessing and compression subject to distortion

OpenAIRE

Hanawal, Manjesh Kumar; Sundaresan, Rajesh

2010-01-01

The problem of guessing a random string is revisited. The relation-ship between guessing without distortion and compression is extended to the case when source alphabet size is countably in¯nite. Further, similar relationship is established for the case when distortion allowed by establishing a tight relationship between rate distortion codes and guessing strategies.

Solution Of Schrödinger Equation For Poschl-Teller Plus Scarf Non-Central Potential Using Supersymmetry Quantum Mechanics Aproach

Directory of Open Access Journals (Sweden)

Antomi Saregar

2015-04-01

Full Text Available In this paper, we show that the exact energy eigenvalues and eigenfunctions of the Schrödinger equation for charged particles moving in a certain class of noncentral potentials can be easily calculated analytically in a simple and elegant manner by using Supersymmetric method (SUSYQM. We discuss the Poschl-Teller plus Scarf non-central potential systems. Then, by operating the lowering operator we get the ground state wave function, and the excited state wave functions are obtained by operating raising operator repeatedly. The energy eigenvalue is expressed in the closed form obtained using the shape invariant properties. The results are in exact agreement with other methods. Keyword: supersymmetry, non-central potentials, poschl teller plus scarf.

An Improved Distortion Operator for Insurance Risks

Institute of Scientific and Technical Information of China (English)

GAO Jian-wei; QIU Wan-hua

2002-01-01

This paper reviews the distortion function approach developed in the actuarial literature for insurance risks. The main aim of this paper is to derive an extensive distortion operator, and to propose a new premium principle based on this extensive distortion operator. Furthermore, the non-robustness of general distortion operator is also discussed. Examples are provided using Bernoulli, Pareto, Lognormal and Gamma distribution assumptions.

Isotropic Kink and Quasiparticle Excitations in the Three-Dimensional Perovskite Manganite La_{0.6}Sr_{0.4}MnO_{3}.

Science.gov (United States)

Horiba, Koji; Kitamura, Miho; Yoshimatsu, Kohei; Minohara, Makoto; Sakai, Enju; Kobayashi, Masaki; Fujimori, Atsushi; Kumigashira, Hiroshi

2016-02-19

In order to reveal the many-body interactions in three-dimensional perovskite manganites that show colossal magnetoresistance, we performed an in situ angle-resolved photoemission spectroscopy on La_{0.6}Sr_{0.4}MnO_{3} and investigated the behavior of quasiparticles. We observed quasiparticle peaks near the Fermi momentum in both the electron and the hole bands, and clear kinks throughout the entire hole Fermi surface in the band dispersion. This isotropic behavior of quasiparticles and kinks suggests that polaronic quasiparticles produced by the coupling of electrons with Jahn-Teller phonons play an important role in the colossal magnetoresistance properties of the ferromagnetic metallic phase of three-dimensional manganites.

Theoretical evaluation of matrix effects on trapped atomic levels

Energy Technology Data Exchange (ETDEWEB)

Das, G.P.; Gruen, D.M.

1986-06-01

We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs.

Theoretical evaluation of matrix effects on trapped atomic levels

International Nuclear Information System (INIS)

Das, G.P.; Gruen, D.M.

1986-06-01

We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs

Manifestation of spin selection rules on the quantum tunneling of magnetization in a single-molecule magnet.

Science.gov (United States)

Henderson, J J; Koo, C; Feng, P L; del Barco, E; Hill, S; Tupitsyn, I S; Stamp, P C E; Hendrickson, D N

2009-07-03

We present low temperature magnetometry measurements on a new Mn3 single-molecule magnet in which the quantum tunneling of magnetization (QTM) displays clear evidence for quantum mechanical selection rules. A QTM resonance appearing only at high temperatures demonstrates tunneling between excited states with spin projections differing by a multiple of three. This is dictated by the C3 molecular symmetry, which forbids pure tunneling from the lowest metastable state. Transverse field resonances are understood by correctly orienting the Jahn-Teller axes of the individual manganese ions and including transverse dipolar fields. These factors are likely to be important for QTM in all single-molecule magnets.

Distribution of the ligand field at the Fe2+ ion in frozen aqueous solutions of Fe(ClO4)2

International Nuclear Information System (INIS)

Nagy, D.L.; Horvath, D.; Szuecs, I.S.; Spiering, H.

1981-01-01

Moessbauer spectra of eutectic frozen aqueous solutions of Fe(ClO 4 ) 2 have been measured at 4.2 K in applied longitudinal magnetic fields up to 5 T. The spectra are interpreted in terms of a model accounting for the random distribution of the ligand field at the Fe 2+ ion owing to the amorphity of the environment. The equilibrium state of the Fe(H 2 O) 6 2+ complex is determined by a static Jahn-Teller calculation. The main features of all spectra can be well reproduced by choosing Esub(JT)(tau)=140 cm -1 and ωsub(tau)=150 cm -1 . (author)

A quantum mechanical study of La-doped Pb(Zr,Ti)O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Stashans, Arvids [Grupo de Fisica de Cristales, Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)]. E-mail: arvids@utpl.edu.ec; Maldonado, Frank [Grupo de Fisica de Cristales, Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)

2007-04-15

Lanthanum-modified Pb(Zr,Ti)O{sub 3} (PZT) crystals have been investigated applying a quantum-mechanical approach based on the Hartree-Fock theory. A morphotropic phase boundary (MPB), PbZr{sub 0.53}Ti{sub 0.47}O{sub 3}, of the crystal was considered throughout the study. The obtained results show the outward atomic displacements with respect to the La impurity within the defective region and also the increase of covalent nature in the chemical bonding of the material. These outcomes are discussed and analyzed in light of the available experimental data. The occurrence of Jahn-Teller self-trapped electron polarons is predicted in the present report.

A quantum mechanical study of La-doped Pb(Zr,Ti)O3

International Nuclear Information System (INIS)

Stashans, Arvids; Maldonado, Frank

2007-01-01

Lanthanum-modified Pb(Zr,Ti)O 3 (PZT) crystals have been investigated applying a quantum-mechanical approach based on the Hartree-Fock theory. A morphotropic phase boundary (MPB), PbZr 0.53 Ti 0.47 O 3 , of the crystal was considered throughout the study. The obtained results show the outward atomic displacements with respect to the La impurity within the defective region and also the increase of covalent nature in the chemical bonding of the material. These outcomes are discussed and analyzed in light of the available experimental data. The occurrence of Jahn-Teller self-trapped electron polarons is predicted in the present report

An Inventory-Routing Problem with Pickups and Deliveries Arising in the Replenishment of Automated Teller Machines

NARCIS (Netherlands)

van Anholt, Roel G.; Coelho, Leandro C.; Laporte, Gilbert; Vis, Iris F. A.

The purpose of this paper is to introduce, model, and solve a rich multiperiod inventory-routing problem with pickups and deliveries motivated by the replenishment of automated teller machines in the Netherlands. Commodities can be brought to and from the depot, as well as being exchanged among

An inventory-routing problem with pickups and deliveries arising in the replenishment of automated teller machines

NARCIS (Netherlands)

Van Anholt, Roel G.; Coelho, Leandro C.; Laporte, Gilbert; Vis, Iris F.A.

2016-01-01

The purpose of this paper is to introduce, model, and solve a rich multiperiod inventory-routing problem with pickups and deliveries motivated by the replenishment of automated teller machines in the Netherlands. Commodities can be brought to and from the depot, as well as being exchanged among

Volterra Series Based Distortion Effect

DEFF Research Database (Denmark)

Agerkvist, Finn T.

2010-01-01

A large part of the characteristic sound of the electric guitar comes from nonlinearities in the signal path. Such nonlinearities may come from the input- or output-stage of the amplier, which is often equipped with vacuum tubes or a dedicated distortion pedal. In this paper the Volterra series...... expansion for non linear systems is investigated with respect to generating good distortion. The Volterra series allows for unlimited adjustment of the level and frequency dependency of each distortion component. Subjectively relevant ways of linking the dierent orders are discussed....

A complex-plane strategy for computing rotating polytropic models - Numerical results for strong and rapid differential rotation

International Nuclear Information System (INIS)

Geroyannis, V.S.

1990-01-01

In this paper, a numerical method, called complex-plane strategy, is implemented in the computation of polytropic models distorted by strong and rapid differential rotation. The differential rotation model results from a direct generalization of the classical model, in the framework of the complex-plane strategy; this generalization yields very strong differential rotation. Accordingly, the polytropic models assume extremely distorted interiors, while their boundaries are slightly distorted. For an accurate simulation of differential rotation, a versatile method, called multiple partition technique is developed and implemented. It is shown that the method remains reliable up to rotation states where other elaborate techniques fail to give accurate results. 11 refs

Gamow-Teller strength functions from (→p,→p') scattering experiments

International Nuclear Information System (INIS)

Hausser, O.

1987-01-01

We present here recent (→p, →'p) results from TRIUMF that are relevant to the determination of spin-flip isovector strength functions in nuclei. Distortion factors needed for the extraction of nuclear-structure information have been deduced from cross sections and analyzing powers in elastic scattering for several energies and targets. Nonrelativistic optical potentials obtained by folding effective nucleon (N)-nucleus interactions with nuclear densities are found to overpredict both elastic and reaction cross sections, whereas Dirac calculations that include Pauli blocking are in good agreement with the data. Spin observables (S nn and A y ) for the quasi-elastic region in 54 Fe(→p, →p) at 290 MeV provide some evidence for the reduction of the effective proton mass predicted in relativistic mean-field theories as a consequence of the attractive scalar field in the nuclear medium. The energy dependence of the effective N-nucleus interaction at small momentum transfers has been investigated using isoscalar and isovector 1 + states in 28 Si as probe states. We find that the cross sections for the isovector transitions are in good agreement with predictions for the dominant Vστ part of the Franey-Love interaction. Gamow-Teller (GT) strength functions have been obtained in 24 Mg and 54 Fe from measurements of both cross sections and spin-flip probabilities S nn . The spin-flip cross sections σS nn are particularly useful in heavier nuclei to discriminate against a continuous background of ΔS = 0 excitations. In the (s, d) shell where full shell-model wave functions are available, the GT quenching factors (g A eff / g A free ) 2 ≅ 0.7 are in good agreement with those from recent (p, n) and (n, p) experiments. We show that a state-by-state comparison of (p, p') and (e, e') results has the potential of identifying pionic current contributions in (e, e'). The GT quenching factors in 54 Fe are smaller than in the (s, d) shell probably because of severely

Characteristics of the Gamow-Teller Force in the β- Decay of 40Zr98

International Nuclear Information System (INIS)

Raden Oktova

2002-01-01

The characteristics of the β - decay force for the Gamow-Teller transition in the p-h and the p-p channels in the heavy neutron-rich nucleus 40 Zr 98 have been studied. The ground state single-particle levels in the parent nucleus were calculated self-consistently using the Fayans energy-density functional, and from them the quasi-particle basis was obtained using the BCS model. The residual charge-changing force responsible for the β - transition was taken as having a zero-range (a delta function); in the p-h channel the spin-isospin exchange → σ 1 . → σ 2 → τ 1 . → τ 2 term in the Migdal-Larkin force was used, and that in the p-p channel was a constant. The method employed was the proton-neutron QRPA (pnQRPA). The results show that the proton-neutron pairing p-p force in the Gamow-Teller decay is negligible for the nucleus considered. The value of the p-h force obtained is g ' = 0.735, slightly larger than the standard value of g ' = 0.7 commonly used for stable nuclei. (author)

Quenching of the Gamow-Teller matrix element in closed LS-shell-plus-one nuclei

International Nuclear Information System (INIS)

Towner, I.S.

1989-06-01

It is evident that nuclear Gamow-Teller matrix elements determined from β-decay and charge-exchange reactions are significantly quenched compared to simple shell-model estimates based on one-body operators and free-nucleon coupling constants. Here we discuss the theoretical origins of this quenching giving examples from light nuclei near LS-closed shells, such as 16 0 and 40 Ca. (Author) 12 refs., 2 tabs

Spectral Distortion in Lossy Compression of Hyperspectral Data

Directory of Open Access Journals (Sweden)

Bruno Aiazzi

2012-01-01

Full Text Available Distortion allocation varying with wavelength in lossy compression of hyperspectral imagery is investigated, with the aim of minimizing the spectral distortion between original and decompressed data. The absolute angular error, or spectral angle mapper (SAM, is used to quantify spectral distortion, while radiometric distortions are measured by maximum absolute deviation (MAD for near-lossless methods, for example, differential pulse code modulation (DPCM, or mean-squared error (MSE for lossy methods, for example, spectral decorrelation followed by JPEG 2000. Two strategies of interband distortion allocation are compared: given a target average bit rate, distortion may be set to be constant with wavelength. Otherwise, it may be allocated proportionally to the noise level of each band, according to the virtually lossless protocol. Comparisons with the uncompressed originals show that the average SAM of radiance spectra is minimized by constant distortion allocation to radiance data. However, variable distortion allocation according to the virtually lossless protocol yields significantly lower SAM in case of reflectance spectra obtained from compressed radiance data, if compared with the constant distortion allocation at the same compression ratio.

Whole Earth Telescope discovery of a strongly distorted quadrupole pulsation in the largest amplitude rapidly oscillating Ap star

Science.gov (United States)

Holdsworth, Daniel L.; Kurtz, D. W.; Saio, H.; Provencal, J. L.; Letarte, B.; Sefako, R. R.; Petit, V.; Smalley, B.; Thomsen, H.; Fletcher, C. L.

2018-01-01

We present a new analysis of the rapidly oscillating Ap (roAp) star, 2MASS J19400781 - 4420093 (J1940; V = 13.1). The star was discovered using SuperWASP broad-band photometry to have a frequency of 176.39 d-1 (2041.55 μHz; P = 8.2 min; Holdsworth et al. 2014a) and is shown here to have a peak-to-peak amplitude of 34 mmag. J1940 has been observed during three seasons at the South African Astronomical Observatory, and has been the target of a Whole Earth Telescope campaign. The observations reveal that J1940 pulsates in a distorted quadrupole mode with unusual pulsational phase variations. A higher signal-to-noise ratio spectrum has been obtained since J1940's first announcement, which allows us to classify the star as A7 Vp Eu(Cr). The observing campaigns presented here reveal no pulsations other than the initially detected frequency. We model the pulsation in J1940 and conclude that the pulsation is distorted by a magnetic field of strength 1.5 kG. A difference in the times of rotational maximum light and pulsation maximum suggests a significant offset between the spots and pulsation axis, as can be seen in roAp stars.

The beta-decay of 48Mn: improved data on Gamow-Teller quenching

International Nuclear Information System (INIS)

Szerypo, J.; Bazin, D.; Brown, B.A.

1991-01-01

Beta-decay studies of very proton-rich nuclides allow to investigate the phenomenon of quenching of Gamow-Teller transitions. A presentation of the experimental techniques is followed by the discussion of preliminray results of the measurements in comparison to shell-model calculations. A corresponding reinvestigation is discussed. A mass-separated 48 Mn beam was used from 12 C( 40 Ca,p3n) reactions. The 48 Mn decay spectroscopy was performed simultaneously in two beam lines of the mass separator. (G.P.) 13 refs.; 2 figs

Structural versus electronic distortions of symmetry-broken IrTe$_2$

OpenAIRE

Kim, Hyo Sung; Kim, Tae-Hwan; Yang, Junjie; Cheong, Sang-Wook; Yeom, Han Woong

2014-01-01

We investigate atomic and electronic structures of the intriguing low temperature phase of IrTe2 using high-resolution scanning tunneling microscopy and spectroscopy. We confirm various stripe superstructures such as $\\times$3, $\\times$5, and $\\times$8. The strong vertical and lateral distortions of the lattice for the stripe structures are observed in agreement with recent calculations. The spatial modulations of electronic density of states are clearly identified as separated from the struc...

TPC track distortions III: fiat lux

CERN Document Server

Boyko, I; Dydak, F; Elagin, A; Gostkin, M; Guskov, A; Koreshev, V; Nefedov, Y; Nikolaev, K; Veenhof, R; Wotschack, J; Zhemchugov, A

2005-01-01

We present a comprehensive overview and final summary of all four types of static track distortions seen in the HARP TPC, in terms of physical origins, mathematical modelling, and correction algorithms. 'Static'™ distortions are defined as not depending on the event time within the 400 ms long accelerator spill. Calculated static distortions are compared with measurements from cosmic-muon tracks. We characterize track distortions by the r phi residuals of cluster positions with respect to the transverse projection of a helical trajectory constrained by hits in the RPC overlap regions. This method provides a fixed TPC-external reference system (by contrast to the co-moving coordinate system associated with a fit) which solely permits to identify individually, and measure quantitatively, the static TPC track distortions arising from (i) the inhomogeneity of the solenoidal magnetic field, (ii) the inhomogeneity of the electric field from the high-voltage mismatch between the inner and outer TPC field cages, (...

Isospin symmetry of T-z=+/- 3/2 ->+/- 1/2 Gamow-Teller transitions in A=41 nuclei

NARCIS (Netherlands)

Fujita, Y; Shimbara, Y; Adachi, T; Berg, GPA; Fujita, H; Hatanaka, K; Kamiya, J; Nakanishi, K; Sakemi, Y; Sasaki, S; Shimizu, Y; Tameshige, Y; Uchida, M; Wakasa, T; Yosoi, M

2004-01-01

Under the assumption that isospin T is a good quantum number, isobaric analog states and various analogous transitions are expected in isobars with mass number A. The, strengths of T-z = +/-3/2 --> 1/2 analogous Gamow-Teller (GT) transitions and analogous M1 transitions within the A = 41 isobar

Isospin symmetry of T-z=+/- 3/2 ->+/- 1/2 Gamow-Teller transitions in A=41 nuclei

NARCIS (Netherlands)

Fujita, Y; Shimbara, Y; Adachi, T; Berg, GPA; Fujita, H; Hatanaka, K; Kamiya, J; Nakanishi, K; Sakemi, Y; Sasaki, S; Shimizu, Y; Tameshige, Y; Uchida, M; Wakasa, T; Yosoi, M

Under the assumption that isospin T is a good quantum number, isobaric analog states and various analogous transitions are expected in isobars with mass number A. The, strengths of T-z = +/-3/2 --> 1/2 analogous Gamow-Teller (GT) transitions and analogous M1 transitions within the A = 41 isobar

Distortions in Judged Spatial Relations.

Science.gov (United States)

Stevens, Albert

1978-01-01

Distortions in judgments of relative geographical relations were observed, particularly when the locations were in different geographical or political units. Subjects distorted the judged relation to conform with the relation of the superordinate political unit. A model for the hierachical storage of spatial information is presented. (Author/RD)

Breathing mode distortion and magnetic order in rare-earth nickelates RNiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Hampel, Alexander; Ederer, Claude [Materials Theory, ETH Zuerich (Switzerland)

2016-07-01

Rare-earth nickelate perovskites display a rich and not yet fully understood phase diagram, where all RNiO{sub 3} compounds with R from Sm to Lu undergo a non-magnetic metal-insulator transition (MIT). This transition is connected to a lattice distortion, which can be described as breathing mode of the oxygen octahedra surrounding the Ni cations. Between 100-250 K the RNiO{sub 3} compounds undergo a magnetic transition to an antiferromagnetic (AFM) state, with a wave-vector k= [(1)/(4) (1)/(4) (1)/(4)] relative to the underlying simple cubic perovskite structure. Here, we use density functional theory and its extensions (DFT+U, DFT+DMFT) together with distortion mode analysis to explore the interplay between lattice distortions, magnetic order, and the strength of the local Coulomb interaction U in rare earth nickelates. Our results show a strong dependency of the breathing mode amplitude on the magnetic order, with a much larger breathing mode obtained for the AFM state compared to the ferromagnetic case. Furthermore, we demonstrate that DFT+U is able to capture the correct trends of the lattice distortions across the nickelate series.

JET ENGINE INLET DISTORTION SCREEN AND DESCRIPTOR EVALUATION

Directory of Open Access Journals (Sweden)

Jiří Pečinka

2017-02-01

Full Text Available Total pressure distortion is one of the three basic flow distortions (total pressure, total temperature and swirl distortion that might appear at the inlet of a gas turbine engine (GTE during operation. Different numerical parameters are used for assessing the total pressure distortion intensity and extent. These summary descriptors are based on the distribution of total pressure in the aerodynamic interface plane. There are two descriptors largely spread around the world, however, three or four others are still in use and can be found in current references. The staff at the University of Defence decided to compare the most common descriptors using basic flow distortion patterns in order to select the most appropriate descriptor for future department research. The most common descriptors were identified based on their prevalence in widely accessible publications. The construction and use of these descriptors are reviewed in the paper. Subsequently, they are applied to radial, angular, and combined distortion patterns of different intensities and with varied mass flow rates. The tests were performed on a specially designed test bench using an electrically driven standalone industrial centrifugal compressor, sucking air through the inlet of a TJ100 small turbojet engine. Distortion screens were placed into the inlet channel to create the desired total pressure distortions. Of the three basic distortions, only the total pressure distortion descriptors were evaluated. However, both total and static pressures were collected using a multi probe rotational measurement system.

Gamow-Teller strength functions from N-nucleus scattering experiments at 200-400 MeV

International Nuclear Information System (INIS)

Haeusser, O.; British Columbia Univ., Vancouver; Vetterli, M.C.

1988-01-01

Recent measurements of (n,p), (p vector, p vector') and (p,n) reactions at TRIUMF have made possible a detailed examination of the spin-isospin structure of nuclear excitations up to 50 MeV. Cross sections for 54 Fe(n,p) 54 Mn and spin-flip cross sections for 54 Fe (p vector, p vector') near 300 MeV have been used to estimate the nuclear response for different multipoles L, spin transfers (ΔS = 0,1), and isospins of the residual nucleus (T f = 1,2). Qualitative features of the spin-flip probabilities in (p vector, p vector') are in good agreement with recent surface-RPA calculations. Between 200 and 400 MeV the ΔL=0 spin-flip isovector component is well described by the central part V στ of the Franey-Love interaction. The Gamow-Teller strength S + in 54 Fe, which is of significance in models of pre-collapse supernovae, is found to be smaller by a factor of two than the best available shell model calculations. In (sd)-shell nuclei ( 24,26 Mg, 28 Si) about (70±15)% of the Gamow-Teller strength predicted by untruncated shell-model calculations is found at low excitation. (orig.)

Distortional Modes of Thin-Walled Beams

DEFF Research Database (Denmark)

Jönsson, Jeppe; Andreassen, Michael Joachim

2009-01-01

The classic thin-walled beam theory for open and closed cross-sections can be generalized by including distortional displacement modes. The introduction of additional displacement modes leads to coupled differential equations, which seems to have prohibited the use of exact shape functions...... in the modelling of coupled torsion and distortion. However, if the distortional displacement modes are chosen as those which decouple the differential equations as in non proportionally damped modal dynamic analysis then it may be possible to use exact shape functions and perform analysis on a reduced problem....... In the recently developed generalized beam theory (GBT) the natural distortional displacement modes are determined on the basis of a quadratic eigenvalue problem. However, as in linear modal dynamic analysis of proportionally damped structures this problem has been solved approximately using linear eigenvalue...

Detection of chromatic and luminance distortions in natural scenes.

Science.gov (United States)

Jennings, Ben J; Wang, Karen; Menzies, Samantha; Kingdom, Frederick A A

2015-09-01

A number of studies have measured visual thresholds for detecting spatial distortions applied to images of natural scenes. In one study, Bex [J. Vis.10(2), 1 (2010)10.1167/10.2.231534-7362] measured sensitivity to sinusoidal spatial modulations of image scale. Here, we measure sensitivity to sinusoidal scale distortions applied to the chromatic, luminance, or both layers of natural scene images. We first established that sensitivity does not depend on whether the undistorted comparison image was of the same or of a different scene. Next, we found that, when the luminance but not chromatic layer was distorted, performance was the same regardless of whether the chromatic layer was present, absent, or phase-scrambled; in other words, the chromatic layer, in whatever form, did not affect sensitivity to the luminance layer distortion. However, when the chromatic layer was distorted, sensitivity was higher when the luminance layer was intact compared to when absent or phase-scrambled. These detection threshold results complement the appearance of periodic distortions of the image scale: when the luminance layer is distorted visibly, the scene appears distorted, but when the chromatic layer is distorted visibly, there is little apparent scene distortion. We conclude that (a) observers have a built-in sense of how a normal image of a natural scene should appear, and (b) the detection of distortion in, as well as the apparent distortion of, natural scene images is mediated predominantly by the luminance layer and not chromatic layer.

QRPA estimate for the Δ(1232) cotribution to the Gamow-Teller decay of heavy nuclei

International Nuclear Information System (INIS)

Suhonen, J.

1991-01-01

The contribution of the Δ(1232) isobars to the nuclear beta decay strength function is estimated in the framework of the charge-changing form of the QRPA. This procedure is applied to neutron-deficient tin isotopes. The results imply that the quenching of the low-energy Gamow-Teller decay strength cannot attributed to the presence of delta admixtures in the nuclear wave function. (orig.)

Prediction of transmission distortion for wireless video communication: analysis.

Science.gov (United States)

Chen, Zhifeng; Wu, Dapeng

2012-03-01

Transmitting video over wireless is a challenging problem since video may be seriously distorted due to packet errors caused by wireless channels. The capability of predicting transmission distortion (i.e., video distortion caused by packet errors) can assist in designing video encoding and transmission schemes that achieve maximum video quality or minimum end-to-end video distortion. This paper is aimed at deriving formulas for predicting transmission distortion. The contribution of this paper is twofold. First, we identify the governing law that describes how the transmission distortion process evolves over time and analytically derive the transmission distortion formula as a closed-form function of video frame statistics, channel error statistics, and system parameters. Second, we identify, for the first time, two important properties of transmission distortion. The first property is that the clipping noise, which is produced by nonlinear clipping, causes decay of propagated error. The second property is that the correlation between motion-vector concealment error and propagated error is negative and has dominant impact on transmission distortion, compared with other correlations. Due to these two properties and elegant error/distortion decomposition, our formula provides not only more accurate prediction but also lower complexity than the existing methods.

Ultrasonographic Findings of Mammographic Architectural Distortion

International Nuclear Information System (INIS)

Ma, Jeong Hyun; Kang, Bong Joo; Cha, Eun Suk; Hwangbo, Seol; Kim, Hyeon Sook; Park, Chang Suk; Kim, Sung Hun; Choi, Jae Jeong; Chung, Yong An

2008-01-01

To review the sonographic findings of various diseases showing architectural distortion depicted under mammography. We collected and reviewed architectural distortions observed under mammography at our health institution between 1 March 2004, and 28 February 2007. We collected 23 cases of sonographically-detected mammographic architectural distortions that confirmed lesions after surgical resection. The sonographic findings of mammographic architectural distortion were analyzed by use of the BI-RADS lexicon for shape, margin, lesion boundary, echo pattern, posterior acoustic feature and orientation. There were variable diseases that showed architectural distortion depicted under mammography. Fibrocystic disease was the most common presentation (n = 6), followed by adenosis (n = 2), stromal fibrosis (n = 2), radial scar (n = 3), usual ductal hyperplasia (n = 1), atypical ductal hyperplasia (n = 1) and mild fibrosis with microcalcification (n = 1). Malignant lesions such as ductal carcinoma in situ (DCIS) (n = 2), lobular carcinoma in situ (LCIS) (n = 2), invasive ductal carcinoma (n = 2) and invasive lobular carcinoma (n = 1) were observed. As observed by sonography, shape was divided as irregular (n = 22) and round (n = 1). Margin was divided as circumscribed (n = 1), indistinct (n = 7), angular (n = 1), microlobulated (n = 1) and sipculated (n = 13). Lesion boundary was divided as abrupt interface (n = 11) and echogenic halo (n = 12). Echo pattern was divided as hypoechoic (n = 20), anechoic (n = 1), hyperechoic (n = 1) and isoechoic (n = 1). Posterior acoustic feature was divided as posterior acoustic feature (n = 7), posterior acoustic shadow (n = 15) and complex posterior acoustic feature (n = 1). Orientation was divided as parallel (n = 12) and not parallel (n = 11). There were no differential sonographic findings between benign and malignant lesions. This study presented various sonographic findings of mammographic architectural distortion and that it is

Soft modes and structural phase transitions

Energy Technology Data Exchange (ETDEWEB)

Venkataraman, G [Reactor Research Centre, Kalpakkam (India)

1979-12-01

A survey of soft modes and their relationship to structural phase transitions is presented. After introducing the concept of a soft mode, the origin of softening is considered from a lattice-dynamical point. The Landau theory approach to structural transitions is then discussed, followed by a generalisation of the soft-mode concept through the use of the dynamic order-parameter susceptibility. The relationship of soft modes to broken symmetry is also examined. Experimental results for several classes of crystals are next presented, bringing out various features such as the co-operative Jahn-Teller effect. The survey concludes with a discussion of the central peak, touching upon both the experimental results and the theoretical speculations.

Uniaxial pressure-induced half-metallic ferromagnetic phase transition in LaMnO3

Science.gov (United States)

Rivero, Pablo; Meunier, Vincent; Shelton, William

2016-03-01

We use first-principles theory to predict that the application of uniaxial compressive strain leads to a transition from an antiferromagnetic insulator to a ferromagnetic half-metal phase in LaMnO3. We identify the Q2 Jahn-Teller mode as the primary mechanism that drives the transition, indicating that this mode can be used to tune the lattice, charge, and spin coupling. Applying ≃6 GPa of uniaxial pressure along the [010] direction activates the transition to a half-metallic pseudocubic state. The half-metallicity opens the possibility of producing colossal magnetoresistance in the stoichiometric LaMnO3 compound at significantly lower pressure compared to recently observed investigations using hydrostatic pressure.

Displacement disorder and reconstruction of the (001) face of tungsten

International Nuclear Information System (INIS)

Egorushkin, V.E.; Kul'ment'ev, A.I.; Savushkin, E.V.

1992-01-01

The reconstruction of the (001) border of tungsten is examined taking into consideration random static displacements of surface atoms in the high-temperature (1 x 1) phase. A microscopic model is proposed, in which the creation of c(2 x 2) phase is described as a transition of the Jahn-Teller type and an ordering of static displacements. It is shown that displacement disorder induces instability of (001) tungsten with respect to reconstruction. The effect of a uniform electric field on a disordered reconstructing surface is examined. A possible reason is given for pronounced differences in the results of investigations of the structural conversion of the (001) face in tungsten when different experimental methods are used

Temperature dependent evolution of the electronic and local atomic structure in the cubic colossal magnetoresistive manganite La1-xSrxMnO3

International Nuclear Information System (INIS)

Arenholz, Elke; Mannella, N.; Booth, C.H.; Rosenhahn, A.; Sell, B.C.; Nambu, A.; Marchesini, S.; Mun, B. S.; Yang, S.-H.; Watanabe, M.; Ibrahim, K.; Arenholz, E.; Young, A.; Guo, J.; Tomioka, Y.; Fadley, C.S.

2007-01-01

We have studied the temperature-dependent evolution of the electronic and local atomic structure in the cubic colossal magnetoresistive manganite La 1-x Sr x MnO 3 (x= 0.3-0.4) with core and valence level photoemission (PE), x-ray absorption spectroscopy (XAS), x-ray emission spectroscopy (XES), resonant inelastic x-ray scattering (RIXS), extended x-ray absorption fine structure (EXAFS) spectroscopy and magnetometry. As the temperature is varied across the Curie temperature T c , our PE experiments reveal a dramatic change of the electronic structure involving an increase in the Mn spin moment from ∼ 3 (micro)B to ∼ 4 (micro)B, and a modification of the local chemical environment of the other constituent atoms indicative of electron localization on the Mn atom. These effects are reversible and exhibit a slow-timescale ∼200 K-wide hysteresis centered at T c . Based upon the probing depths accessed in our PE measurements, these effects seem to survive for at least 35-50 (angstrom) inward from the surface, while other consistent signatures for this modification of the electronic structure are revealed by more bulk sensitive spectroscopies like XAS and XES/RIXS. We interpret these effects as spectroscopic fingerprints for polaron formation, consistent with the presence of local Jahn-Teller distortions of the MnO 6 octahedra around the Mn atom, as revealed by the EXAFS data. Magnetic susceptibility measurements in addition show typical signatures of ferro-magnetic clusters formation well above the Curie temperature

The characterisation of VSe2: a study of the thermal expansion

International Nuclear Information System (INIS)

Wiegers, G.A.

1981-01-01

The thermal expansion of VSe 2 from 40-1175 K has been determined by x-ray diffraction. The lattice expansion is linear with temperature from 40 to about 300 K with αsub(a) = 18.6 x 10 -6 K -1 and αsub(c) = 9.8 x 10 -6 K -1 . The behaviour αsub(a) > αsub(c) is anomalous for a layer compound. From the relation between the thermal expansion and the elastic constants it follows that either the elastic constants of VSe 2 are anomalous for a layer compound or the elastic constants are normal but there is a large anisotropy in the Gruneisen functions γsub(a) and γsub(c) (γsub(a) > γsub(c)) together with a relatively large value of the cross compliance constant s 13 . The latter possibility is probably true. The physical origin lies in the electronic structure; the exceptionally high ratio c/a (1.823 at 40 K, 1.818 at 300 K) due to a band Jahn-Teller type distortion, decreases at increasing temperature. The expansion above about 300 K is no longer linear; with increasing temperature the expansion of the a axis increases while that of the c axis becomes almost zero. The non-linear behaviour is ascribed to the formation of Frenkel defects: intrasandwich vanadium is transferred to the interstitial sites in the Van der Waals gap. (author)

Role of 5f electrons in the structural stability of light actinide (Th-U) mononitrides under pressure.

Science.gov (United States)

Modak, P; Verma, Ashok K

2016-03-28

Pressure induced structural sequences and their mechanism for light actinide (Th-U) mononitrides were studied as a function of 5f-electron number using first-principles total energy and electronic structure calculations. Zero pressure lattice constants, bulk module and C11 elastic module vary systematically with 5f-electron number implying its direct role on crystal binding. There is a critical 5f-electron number below which the system makes B1-B2 and above it B1-R3̄m-B2 structural sequence under pressure. Also, the B1-B2 transition pressure increases with increasing 5f-electron number whereas an opposite trend is obtained for the B1-R3̄m transition pressure. The ascending of N p anti-bonding states through the Fermi level at high pressure is responsible for the structural instability of the system. Above the critical 5f-electron number in the system a narrow 5f-band occurs very close to the Fermi level which allows the system to lower its symmetry via band Jahn-Teller type lattice distortion and the system undergoes a B1-R3̄m phase transition. However, below the critical 5f-electron number this mechanism is not favorable due to a lack of sufficient 5f-state occupancy and thus the system undergoes a B1-B2 phase transition like other ionic solids.

Conformal scalar field on the hyperelliptic curve and critical Ashkin-Teller multipoint correlation functions

International Nuclear Information System (INIS)

Zamolodchikov, A.B.

1987-01-01

A multipoint conformal block of Ramond states of the two-dimensional free scalar field is calculated. This function is related to the free energy of the scalar field on the hyperelliptic Riemann surface under a particular choice of boundary conditions. Being compactified on the circle this field leads to the crossing symmetric correlation functions with a discrete spectrum of scale dimensions. These functions are supposed to describe multipoint spin correlations of the critical Ashkin-Teller model. (orig.)

The influence of head frame distortions on stereotactic localization and targeting

Energy Technology Data Exchange (ETDEWEB)

Treuer, H; Hunsche, S; Hoevels, M; Luyken, K; Maarouf, M; Voges, J; Sturm, V [Department of Stereotaxy and Functional Neurosurgery, University of Cologne, 50924 Cologne (Germany)

2004-09-07

A strong attachment of a stereotactic head frame to the patient's skull may cause distortions of the head frame. The aim of this work was to identify possible distortions of the head frame, to measure the degree of distortion occurring in clinical practice and to investigate its influence on stereotactic localization and targeting. A model to describe and quantify the distortion of the Riechert-Mundinger (RM) head frame was developed. Distortions were classified as (a) bending and (b) changes from the circular ring shape. Ring shape changes were derived from stereotactic CT scans and frame bending was determined from intraoperative stereotactic x-ray images of patients with implanted {sup 125}I-seeds acting as landmarks. From the examined patient data frame bending was determined to be 0.74 mm {+-} 0.32 mm and 1.30 mm in maximum. If a CT-localizer with a top ring is used, frame bending has no influence on stereotactic CT-localization. In stereotactic x-ray localization, frame bending leads to an overestimation of the z-coordinate by 0.37 mm {+-} 0.16 mm on average and by 0.65 mm in maximum. The accuracy of patient positioning in radiosurgery is not affected by frame bending. But in stereotactic surgery with an RM aiming bow trajectory displacements are expected. These displacements were estimated to be 0.36 mm {+-} 0.16 mm (max. 0.74 mm) at the target point and 0.65 mm {+-} 0.30 mm (max. 1.31 mm) at the entry point level. Changes from the circular ring shape are small and do not compromise the accuracy of stereotactic targeting and localization. The accuracy of CT-localization was found to be close to the resolution limit due to voxel size. Our findings for frame bending of the RM frame could be validated by statistical analysis and by comparison with an independent patient examination. The results depend on the stereotactic system and details of the localizers and instruments and also reflect our clinical practice. Therefore, a generalization is not possible

Sonographic ally Detected Architectural Distortion: Clinical Significance

Energy Technology Data Exchange (ETDEWEB)

Kim, Shin Kee; Seo, Bo Kyoung; Yi, Ann; Cha, Sang Hoon; Kim, Baek Hyun; Cho, Kyu Ran; Kim, Young Sik; Son, Gil Soo; Kim, Young Soo; Kim, Hee Young [Korea University Ansan Hospital, Ansan (Korea, Republic of)

2008-12-15

Architectural distortion is a suspicious abnormality for the diagnosis of breast cancer. The aim of this study was to investigate the clinical significance of sonographic ally detected architectural distortion. From January 2006 to June 2008, 20 patients were identified who had sonographic ally detected architectural distortions without a history of trauma or surgery and abnormal mammographic findings related to an architectural distortion. All of the lesions were pathologically verified. We evaluated the clinical and pathological findings and then assessed the clinical significance of the sonographic ally detected architectural distortions. Based on the clinical findings, one (5%) of the 20 patients had a palpable lump and the remaining 19 patients had no symptoms. No patient had a family history of breast cancer. Based on the pathological findings, three (15%) patients had malignancies. The malignant lesions included invasive ductal carcinomas (n = 2) and ductal carcinoma in situ (n = 1). Four (20%) patients had high-risk lesions: atypical ductal hyperplasia (n = 3) and lobular carcinoma in situ (n = 1). The remaining 13 (65%) patients had benign lesions, however, seven (35%) out of 13 patients had mild-risk lesions (three intraductal papillomas, three moderate or florid epithelial hyperplasia and one sclerosing adenosis). Of the sonographic ally detected architectural distortions, 35% were breast cancers or high-risk lesions and 35% were mild-risk lesions. Thus, a biopsy might be needed for an architectural distortion without an associated mass as depicted on breast ultrasound, even though the mammographic findings are normal

Sonographic ally Detected Architectural Distortion: Clinical Significance

International Nuclear Information System (INIS)

Kim, Shin Kee; Seo, Bo Kyoung; Yi, Ann; Cha, Sang Hoon; Kim, Baek Hyun; Cho, Kyu Ran; Kim, Young Sik; Son, Gil Soo; Kim, Young Soo; Kim, Hee Young

2008-01-01

Architectural distortion is a suspicious abnormality for the diagnosis of breast cancer. The aim of this study was to investigate the clinical significance of sonographic ally detected architectural distortion. From January 2006 to June 2008, 20 patients were identified who had sonographic ally detected architectural distortions without a history of trauma or surgery and abnormal mammographic findings related to an architectural distortion. All of the lesions were pathologically verified. We evaluated the clinical and pathological findings and then assessed the clinical significance of the sonographic ally detected architectural distortions. Based on the clinical findings, one (5%) of the 20 patients had a palpable lump and the remaining 19 patients had no symptoms. No patient had a family history of breast cancer. Based on the pathological findings, three (15%) patients had malignancies. The malignant lesions included invasive ductal carcinomas (n = 2) and ductal carcinoma in situ (n = 1). Four (20%) patients had high-risk lesions: atypical ductal hyperplasia (n = 3) and lobular carcinoma in situ (n = 1). The remaining 13 (65%) patients had benign lesions, however, seven (35%) out of 13 patients had mild-risk lesions (three intraductal papillomas, three moderate or florid epithelial hyperplasia and one sclerosing adenosis). Of the sonographic ally detected architectural distortions, 35% were breast cancers or high-risk lesions and 35% were mild-risk lesions. Thus, a biopsy might be needed for an architectural distortion without an associated mass as depicted on breast ultrasound, even though the mammographic findings are normal

Centi-pixel accurate real-time inverse distortion correction

CSIR Research Space (South Africa)

De Villiers, Johan P

2008-11-01

Full Text Available Inverse distortion is used to create an undistorted image from a distorted image. For each pixel in the undistorted image it is required to determine which pixel in the distorted image should be used. However the process of characterizing a lens...

Spin and Pseudospin Symmetries with Trigonometric Pöschl-Teller Potential including Tensor Coupling

Directory of Open Access Journals (Sweden)

M. Hamzavi

2013-01-01

Full Text Available We study approximate analytical solutions of the Dirac equation with the trigonometric Pöschl-Teller (tPT potential and a Coulomb-like tensor potential for arbitrary spin-orbit quantum number κ under the presence of exact spin and pseudospin ( p -spin symmetries. The bound state energy eigenvalues and the corresponding two-component wave functions of the Dirac particle are obtained using the parametric generalization of the Nikiforov-Uvarov (NU method. We show that tensor interaction removes degeneracies between spin and pseudospin doublets. The case of nonrelativistic limit is studied too.

The relationship of anger and cognitive distortions with violence in violent offenders’ population: A meta-analytic review

Directory of Open Access Journals (Sweden)

Sebastian Pintea

2012-01-01

Full Text Available In the present meta-analysis, the magnitude of the relationship between cognitive distortions and anger and violent behaviour of incarcerated offenders, based on selected data for the relationship between anger and violence, and cognitive distortions and violence was empirically assessed. Out of nineteen studies included for analysis nine of them contain statistical indicators regarding the relationship between anger and violence, and fourteen studies regarding cognitive distortions and violence. The results indicated a strong relationship both between anger and violence, and between cognitive distortions and violent behaviour. Furthermore, the moderating effect of the type of instruments (self-reported vs. observational behavioural measurements used for violence assessment was tested. The results indicated that the type of instruments had no significant influence on the cognition-violence relationship, QB(1 = 0.12, p > .05, while in case of the anger-violence relationship, a significant moderating effect was identified, QB(1 = 14.26, p < .01, which supports a higher effect size when violence was measured by a self-reported than when was measured by behavioural observation.

FSD: Frequency Space Differential measurement of CMB spectral distortions

Science.gov (United States)

Mukherjee, Suvodip; Silk, Joseph; Wandelt, Benjamin D.

2018-04-01

Although the Cosmic Microwave Background agrees with a perfect blackbody spectrum within the current experimental limits, it is expected to exhibit certain spectral distortions with known spectral properties. We propose a new method, Frequency Space Differential (FSD) to measure the spectral distortions in the CMB spectrum by using the inter-frequency differences of the brightness temperature. The difference between the observed CMB temperature at different frequencies must agree with the frequency derivative of the blackbody spectrum, in the absence of any distortion. However, in the presence of spectral distortions, the measured inter-frequency differences would also exhibit deviations from blackbody which can be modeled for known sources of spectral distortions like y & μ. Our technique uses FSD information for the CMB blackbody, y, μ or any other sources of spectral distortions to model the observed signal. Successful application of this method in future CMB missions can provide an alternative method to extract spectral distortion signals and can potentially make it feasible to measure spectral distortions without an internal blackbody calibrator.

High genetic differentiation between an African and a non-African strain of Drosophila simulans revealed by segregation distortion and reduced crossover frequency.

Science.gov (United States)

Tatsuta, Haruki; Takano-Shimizu, Toshiyuki

2009-11-01

Drosophila simulans strains originating from Madagascar and nearby islands in the Indian Ocean often differ from those elsewhere in the number of sex comb teeth and the degree of morphological anomaly in hybrids with D. melanogaster. Here, we report a strong segregation distortion in the F1 intercross between two D. simulans strains originating from Madagascar and the US, possibly at both the gametic and zygotic levels. Strong bias against alleles of the Madagascar strain was observed for all ten marker loci distributed over the entire second chromosome in the F1 intercross, but only a few showed a weak distortion in the isogenic backgrounds of either strains. Significant deviations of genotype frequencies from Hardy-Weinberg proportions were consistently observed for the second chromosome. By contrast, the X and third chromosomes did not show any strong segregation distortion. Crossover frequency on the second chromosome was uniformly reduced in isogenic backgrounds whereas the map lengths in the F1 intercross were comparable to or larger than that of the standard D. melanogaster map. We discuss these findings in relation to previous studies on other traits and interspecific differences between D. mauritiana, which is endemic to Mauritius Island, and D. simulans.

Energy spectra of the hyperbolic and second Poeschl-Teller like potentials solved by new exact quantization rule

International Nuclear Information System (INIS)

Dong Shihai; Gonzalez-Cisneros, A.

2008-01-01

A new exact quantization rule simplifies the calculation of the energy levels for the exactly solvable quantum system. In this work we calculate the energy levels of the Schroedinger equation with the hyperbolic potential by this quantization rule. The corresponding eigenfunction is also derived for completeness. The second Poeschl-Teller like potential case is also carried out

Ratio of Gamow-Teller to Fermi strength observed in /sup 13,14/C(p,n) at 492 and 590 MeV

International Nuclear Information System (INIS)

Ullmann, J.L.; Rapaport, J.; Lisowski, P.W.

1988-01-01

It has been recognized for a number of years that certain spin-isospin components of the nucleon-nucleus effective interaction can be inferred from (p,n) reactions to states of known nuclear structure. For L = 0, S = 0 and L = 0, S = 1 transitions, the 0-degree (p,n) cross section can be related respectively to Fermi and Gamow-Teller beta decay matrix elements. If these transitions occur in the same nucleus, the ratio of isovector spin-flip to non-spin-flip effective interactions can be measured without regard for absolute normalization. The best reaction to measure this is /sup 14/C(p,n) which goes by a pure Gamow-Teller transition to the 1/sup /plus// state at 3.95 MeV in /sup 14/N, and Fermi transition to the 2.31 MeV 0/sup /plus// state. This work extends the ratio measurements made at lower energies (ref. 1, 2, 3) to 492 and 590 MeV. We also report on the /sup 13/C(p,n) reaction which goes by a pure GT transition to the 3.51 MeV 3/2/sup /minus// state in /sup 13/N, but by a mixed Fermi plus Gamow-Teller transition to the 1/2/sup /minus// ground state. 11 refs., 4 figs., 2 tabs

Profile distortion by beam space-charge in Ionization Profile Monitors

CERN Document Server

Vilsmeier, D; Wettig, T

Measuring the transverse beam size in the Large Hadron Collider by using Ionization Profile Monitors is a difficult task for energies above injection during the energy ramp from 450 GeV to 6.5TeV. The beam size decreases from around 1mm to 200um and the brightness of the beam is high enough to destroy the structure of any form of interacting matter. While the electron trajectories are confined by an external electro-magnetic field which forces the electrons accordingly on helix paths with certain gyroradii, this gyration is heavily increased under the influence of the electric field of the beam. Smaller beam sizes, which go hand in hand with increased bunch electric fields, lead to larger gyroradii of the ionized electrons, which results in strongly distorted profiles. In addition, this distortion becomes more visible for smaller beam sizes as the extent of gyration grows compared to the actual beam size. Depending on the initial momentum distribution of the electrons, emerging from the ionization process wit...

Impact of loudspeaker nonlinear distortion on personal sound zones

DEFF Research Database (Denmark)

Ma, Xiaohui; J. Hegarty, Patrick; Abildgaard Pedersen, Jan

2018-01-01

Personal sound zone systems aim at creating multiple listening zones within a shared space with minimum interference between zones, but the performance is often poorer than simulations predict and effects of nonlinear distortion are sometimes audible. This paper assesses the impact of nonlinear...... distortion on sound zones through simulations and measurements performed under anechoic conditions. Two sound zones, one bright and one dark, are created with acoustic contrast control using two loudspeaker arrays driven at 250 Hz. Nonlinear distortion is modelled using second or third order nonlinearities....... Simulations show that nonlinear distortion degrades the acoustic contrast, which is confirmed by experimental measurements. The harmonic distortion is audible in the dark zone. Frequency resolved measurements reveal that harmonic distortion contributes to contrast loss, but nonlinear effects...

Gamow-Teller transitions and neutron-proton-pair transfer reactions

Science.gov (United States)

Van Isacker, P.; Macchiavelli, A. O.

2018-05-01

We propose a schematic model of nucleons moving in spin-orbit partner levels, j = l ± 1/2, to explain Gamow-Teller and two-nucleon transfer data in N = Z nuclei above 40Ca. Use of the LS coupling scheme provides a more transparent approach to interpret the structure and reaction data. We apply the model to the analysis of charge-exchange, 42Ca(3He,t)42Sc, and np-transfer, 40Ca(3He,p)42Sc, reactions data to define the elementary modes of excitation in terms of both isovector and isoscalar pairs, whose properties can be determined by adjusting the parameters of the model (spin-orbit splitting, isovector pairing strength and quadrupole matrix element) to the available data. The overall agreement with experiment suggests that the approach captures the main physics ingredients and provides the basis for a boson approximation that can be extended to heavier nuclei. Our analysis also reveals that the SU(4)-symmetry limit is not realized in 42Sc.

High-lying Gamow-Teller excited states in the deformed nuclei,76Ge,82Se and N = 20 nuclei in the island of inversion by the Deformed QRPA (DQRPA)

Science.gov (United States)

Cheoun, Myung-Ki; Ha, Eunja

2013-07-01

With the advent of high analysis technology in detecting the Gamow-Teller (GT) excited states beyond one nucleon emission threshold, the quenching of the GT strength to the Ikeda sum rule (ISR) seems to be recovered by the high-lying (HL) GT states. We address that these HL GT excited states result from the smearing of the Fermi surface by the increase of the chemical potential owing to the deformation within a framework of the deformed quasi-particle random phase approximation (DQRPA). Detailed mechanism leading to the smearing is discussed, and comparisons to the available experimental data on 76Ge,82Se and N = 20 nuclei are shown to explain the strong peaks on the HL GT excited states.

High-lying Gamow-Teller excited states in the deformed nuclei,76Ge,82Se and N = 20 nuclei in the island of inversion by the Deformed QRPA (DQRPA)

International Nuclear Information System (INIS)

Cheoun, Myung-Ki; Ha, Eunja

2013-01-01

With the advent of high analysis technology in detecting the Gamow-Teller (GT) excited states beyond one nucleon emission threshold, the quenching of the GT strength to the Ikeda sum rule (ISR) seems to be recovered by the high-lying (HL) GT states. We address that these HL GT excited states result from the smearing of the Fermi surface by the increase of the chemical potential owing to the deformation within a framework of the deformed quasi-particle random phase approximation (DQRPA). Detailed mechanism leading to the smearing is discussed, and comparisons to the available experimental data on 76 Ge, 82 Se and N = 20 nuclei are shown to explain the strong peaks on the HL GT excited states

Structural Change Accounting with Labor Market Distortions

OpenAIRE

Wenbiao Cai

2014-01-01

This paper quantifies the relative importance of sectoral productivity and labor market distortions for structural change. I use a model in which labor productivity is the product of TFP and human capital in each sector, but distortions generate wedges in wage per efficiency worker across sectors. I calculate human capital by sector using micro census data, and use the model to infer TFP and distortions such that it replicates structural change in the US, India, Mexico and Brazil between 1960...

Influence of initial state distortion in ion-atom collisions

Energy Technology Data Exchange (ETDEWEB)

Ciappina, M F [CONICET and Departamento de FIsica, Universidad Nacional del Sur, 8000 BahIa Blanca (Argentina); Cravero, W R [CONICET and Departamento de FIsica, Universidad Nacional del Sur, 8000 BahIa Blanca (Argentina); Garibotti, C R [CONICET and Division Colisiones Atomicas, Centro Atomico Bariloche, 8400 Bariloche (Argentina)

2004-05-28

We have studied the influence of initial state distortion in a single ionization by ion impact. We have taken a continuum distorted wave type distortion and by taking up to the first order in its asymptotic series expansion we build an eikonal-spherical distortion. In this way the influence of each term in the transition amplitude can be stated. This approximation can be considered an intermediate one between the eikonal initial state and the continuum distorted wave approaches for initial state distortion. We have computed doubly differential cross sections for helium ionization by protons and highly charged ions at high and intermediate impact energy. We have also discussed the contribution of the different terms in electron energy spectra, specially in the vicinity of ECC peak. Very good agreement is found with the available experimental data.

Influence of initial state distortion in ion-atom collisions

International Nuclear Information System (INIS)

Ciappina, M F; Cravero, W R; Garibotti, C R

2004-01-01

We have studied the influence of initial state distortion in a single ionization by ion impact. We have taken a continuum distorted wave type distortion and by taking up to the first order in its asymptotic series expansion we build an eikonal-spherical distortion. In this way the influence of each term in the transition amplitude can be stated. This approximation can be considered an intermediate one between the eikonal initial state and the continuum distorted wave approaches for initial state distortion. We have computed doubly differential cross sections for helium ionization by protons and highly charged ions at high and intermediate impact energy. We have also discussed the contribution of the different terms in electron energy spectra, specially in the vicinity of ECC peak. Very good agreement is found with the available experimental data

Gamow-Teller Strengths from (3He,t) Charge-Exchange Reaction

International Nuclear Information System (INIS)

Fujita, Yoshitaka

2006-01-01

Gamow-Teller (GT) transition is the most popular nuclear weak process with the nature of spin-isospin excitation. GT transitions in pf-shell nuclei, including those starting from unstable nuclei, are of interest, due to their importance in astrophysical processes. Weak processes, however, gives us rather limited information on the GT response of nuclei. We introduce high-resolution ( 3 He, t) reaction at 0 0 and at an intermediate beam energy as a new spectroscopic tool for studying GT excitations. Owing to the high energy-resolution of the reaction (∼ 30 keV), individual transitions can be observed up to the region of GT giant resonance. Assuming isospin symmetry for the T z = ±1 → 0 isobaric analogous transitions in isobars with mass number A, we present a new method to deduce GT transition strengths starting from proton rich exotic nuclei

Density distortion within a rotating body

International Nuclear Information System (INIS)

Lanzano, P.

1975-01-01

This paper ascertains the distortion of the density distribution within a self-gravitating body in hydrostatic equilibrium under the influence of rotation. For this purpose, the Poisson equation has been solved by using the undistorted density profile within the Laplacian to obtain the distorted density. The Laplacian has been expressed in terms of a system of curvilinear coordinates for which the equipotential surfaces constitute a family of fundamental surfaces. In performing the requisite algebraic manipulations, the Clairaut and Radau equations developed in a previous paper (Lanzano,1974) were utilized to eliminate the derivatives of the elements pertaining to the equipotential surfaces. The density distortion has been obtained up to third-order terms in a small rotational parameter. (Auth.)

Cognitive Distortions in Depressed Women: Trait, or State Dependent?

Directory of Open Access Journals (Sweden)

Sedat BATMAZ

2015-12-01

Conclusion: The results have revealed that self-criticism, helplessness, hopelessness and preoccupation with danger related distortions had trait-like features, whereas self-blame related distortions were state dependent. This has clinical implications for the psychotherapeutic treatment of cognitive distortions in depression. Specifically, self-criticism related distortions should be managed during cognitive therapy for depression since the other subscales seem rather problematic. [JCBPR 2015; 4(3.000: 147-152

Advanced Machining Toolpath for Low Distortion

Science.gov (United States)

2017-02-28

Advanced Machining Toolpath for Low Distortion FINAL STATUS REPORT Prepared by Brian Becker R&D Technology Manager Third Wave Systems, Inc... Machining Toolpath for Low Distortion December 2016 Contract No.: W911W6-16-P-0044 2 Table of Contents 1.0 EXECUTIVE SUMMARY...2 2.1 Task 1: Collect Details of Machining Lab to Support

Effects of Visual Feedback Distortion on Gait Adaptation: Comparison of Implicit Visual Distortion Versus Conscious Modulation on Retention of Motor Learning.

Science.gov (United States)

Kim, Seung-Jae; Ogilvie, Mitchell; Shimabukuro, Nathan; Stewart, Trevor; Shin, Joon-Ho

2015-09-01

Visual feedback can be used during gait rehabilitation to improve the efficacy of training. We presented a paradigm called visual feedback distortion; the visual representation of step length was manipulated during treadmill walking. Our prior work demonstrated that an implicit distortion of visual feedback of step length entails an unintentional adaptive process in the subjects' spatial gait pattern. Here, we investigated whether the implicit visual feedback distortion, versus conscious correction, promotes efficient locomotor adaptation that relates to greater retention of a task. Thirteen healthy subjects were studied under two conditions: (1) we implicitly distorted the visual representation of their gait symmetry over 14 min, and (2) with help of visual feedback, subjects were told to walk on the treadmill with the intent of attaining the gait asymmetry observed during the first implicit trial. After adaptation, the visual feedback was removed while subjects continued walking normally. Over this 6-min period, retention of preserved asymmetric pattern was assessed. We found that there was a greater retention rate during the implicit distortion trial than that of the visually guided conscious modulation trial. This study highlights the important role of implicit learning in the context of gait rehabilitation by demonstrating that training with implicit visual feedback distortion may produce longer lasting effects. This suggests that using visual feedback distortion could improve the effectiveness of treadmill rehabilitation processes by influencing the retention of motor skills.

The structure of the Gamow-Teller giant resonance and consequences for beta-delayed neutron spectra and element synthesis

International Nuclear Information System (INIS)

Klapdor, H.V.

1976-01-01

Recent results in β-delayed neutron emission are interpreted by structure of the Gamow-Teller giant resonance not included in the 'gross-theory' of β-decay. Inclusion of this structure of the β-decay function is important for calculations of β-decay production rates for heavy nuclides by astrophysical processes and thermonuclear explosions. (Auth.)

A Cognitive Distortions and Deficits Model of Suicide Ideation

Directory of Open Access Journals (Sweden)

Laura L. Fazakas-DeHoog

2017-05-01

Full Text Available Although cognitive distortions and deficits are known risk factors for the development and escalation of suicide ideation and behaviour, no empirical work has examined how these variables interact to predict suicide ideation. The current study proposes an integrative model of cognitive distortions (hopelessness and negative evaluations of self and future and deficits (problem solving deficits, problem solving avoidance, and cognitive rigidity. To test the integrity of this model, a sample of 397 undergraduate students completed measures of deficits, distortions, and current suicide ideation. A structural equation model demonstrated excellent fit, and findings indicated that only distortions have a direct effect on suicidal thinking, whereas cognitive deficits may exert their effects on suicide ideation via their reciprocal relation with distortions. Findings underscore the importance of both cognitive distortions and deficits for understanding suicidality, which may have implications for preventative efforts and treatment.

Bilateral Symmetry of Distortions of Tactile Size Perception.

Science.gov (United States)

Longo, Matthew R; Ghosh, Arko; Yahya, Tasneem

2015-01-01

The perceived distance between touches on the limbs is generally bigger for distances oriented across the width of the limb than for distances oriented along the length of the limb. The present study aimed to investigate the coherence of such distortions of tactile size perception across different skin surfaces. We investigated distortions of tactile size perception on the dorsal and palmar surfaces of both the left and right hands as well as the forehead. Participants judged which of two tactile distances felt larger. One distance was aligned with the proximodistal axis (along the body), the other with the mediolateral axis (across the body). Clear distortions were found on all five skin surfaces, with stimuli oriented across the width of the body being perceived as farther apart than those oriented along the length of the body. Consistent with previous results, distortions were smaller on the palmar than on the dorsal hand surface. Distortion on the forehead was intermediate between the dorsal and palmar surfaces. There were clear correlations between distortion on the left and right hands, for both the dorsal and palmar skin surfaces. In contrast, within each hand, there was no significant correlation between the two skin surfaces. Distortion on the forehead was not significantly correlated with that on any of the other skin surfaces. These results provide evidence for bilaterally symmetric representations underlying tactile size perception. © The Author(s) 2015.

Enhanced way of securing automated teller machine to track the misusers using secure monitor tracking analysis

Science.gov (United States)

Sadhasivam, Jayakumar; Alamelu, M.; Radhika, R.; Ramya, S.; Dharani, K.; Jayavel, Senthil

2017-11-01

Now a days the people's attraction towards Automated Teller Machine(ATM) has been increasing even in rural areas. As of now the security provided by all the bank is ATM pin number. Hackers know the way to easily identify the pin number and withdraw money if they haven stolen the ATM card. Also, the Automated Teller Machine is broken and the money is stolen. To overcome these disadvantages, we propose an approach “Automated Secure Tracking System” to secure and tracking the changes in ATM. In this approach, while creating the bank account, the bank should scan the iris known (a part or movement of our eye) and fingerprint of the customer. The scanning can be done with the position of the eye movements and fingerprints identified with the shortest measurements. When the card is swiped then ATM should request the pin, scan the iris and recognize the fingerprint and then allow the customer to withdraw money. If somebody tries to break the ATM an alert message is given to the nearby police station and the ATM shutter is automatically closed. This helps in avoiding the hackers who withdraw money by stealing the ATM card and also helps the government in identifying the criminals easily.

Impurity model for mixed-valent Mn3+/Mn4+ ions

International Nuclear Information System (INIS)

Schlottmann, P.; Lee, K.

1997-01-01

Intermediate valent tri- and tetravalent manganese ions play an important role in LaMnO 3 -based systems. We consider a Mn impurity with five orbitals in cubic symmetry which hybridize with conduction electrons. The exchange interaction in the d shell maximizes the impurity spin. We study the valence of the Mn impurity as a function of the splitting of the e g to t 2g orbitals in zero magnetic field and for the totally spin-polarized state. The lifting of the degeneracy of the e g levels due to a small quadrupolar field, related to the Mn-O bond length or a Jahn-Teller effect, is also investigated. Possible implications on the magnetoresistance are discussed. copyright 1997 The American Physical Society

New Layered Oxide-Fluoride Perovskites: KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+

Directory of Open Access Journals (Sweden)

Rachelle Ann F. Pinlac

2011-03-01

Full Text Available KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+, three new layered oxide-fluoride perovskites with the general formula ABB’X6, form from the combination of a second-order Jahn-Teller d0 transition metal and an alkali metal (Na+ on the B-site. Alternating layers of cation vacancies and K+ cations on the A-site complete the structure. The K+ cations are found in the A-site layer where the fluoride ions are located. The A-site is vacant in the adjacent A-site layer where the axial oxides are located. This unusual layered arrangement of unoccupied A-sites and under bonded oxygen has not been observed previously although many perovskite-related structures are known.

Micropapillary Lung Cancer with Breast Metastasis Simulating Primary Breast Cancer due to Architectural Distortion on Images

Energy Technology Data Exchange (ETDEWEB)

Ko, Kyung Ran; Hong, Eun Kyung; Lee, See Yeon [Center for Breast Cancer, National Cancer Center, Goyang (Korea, Republic of); Ro, Jae Yoon [The Methodist Hospital, Weill Medical College of Cornell University, Houston (United States)

2012-03-15

A 47-year-old Korean woman with right middle lobe lung adenocarcinoma, malignant pleural effusion, and multiple lymph node and bone metastases, after three months of lung cancer diagnosis, presented with a palpable right breast mass. Images of the right breast demonstrated architectural distortion that strongly suggested primary breast cancer. Breast biopsy revealed metastatic lung cancer with a negative result for estrogen receptor (ER), progesterone receptor (PR) and mammaglobin, and a positive result for thyroid transcription factor-1 (TTF-1). We present a case of breast metastasis from a case of lung cancer with an extensive micropapillary component, which was initially misinterpreted as a primary breast cancer due to unusual image findings with architectural distortion.

Strained superlattices and magnetic tunnel junctions based on doped manganites

International Nuclear Information System (INIS)

Yafeng Lu

2001-01-01

In the first part of this work the effect of biaxial strain on the structure and transport properties of doped manganites has been studied to explore the relevance of Jahn-Teller electron-lattice interaction for the CMR phenomenon in these materials. A series of high quality, coherently strained La 2/3 (Ca or Ba) 1/3 MnO 3 /SrTiO 3 superlattices with different modulation periods have been fabricated on (001) SrTiO 3 and NdGaO 3 substrates by laser molecular beam epitaxy. A detailed structural characterization was performed by high-angle X-ray diffraction (HAXRD) and low-angle X-ray reflectivity (LAXRR). The fabricated superlattices are very flat, show excellent structural coherence and very small mosaic spread (0.2 ∝0.03 ). The in-plane coherency strain could be varied by changing the thickness ratio of the constituent layers allowing for a systematic variation of the resulting lattice distortion of La 2/3 (Ca or Ba) 1/3 MnO 3 . By the in-plane coherency strain the out-of-plane lattice constant could be continuously adjusted by varying the relative thickness of the SrTiO 3 and La 2/3 (Ca or Ba) 1/3 MnO 3 layers: the c-axis lattice constant of La 2/3 Ba 1/3 MnO 3 was found to vary from 3.910 A to 3.975 A due to a compressive in-plane strain, whereas the c-axis constant of La 2/3 Ca 1/3 MnO 3 was found to change from 3.87 A to 3.79A due to tensile in-plane strain. The strain results in a biaxial distortion ε bi of La 2/3 (Ca or Ba) 1/3 MnO 3 that strongly affects the electrical transport properties and the magnetoresistance. Our measurements show that there is a clear correlation between ε bi and the temperature T p corresponding to the maximum in the resistivity versus temperature curves as well as the measured magnetoresistance in the two systems. In the second part of this work we have investigated the spin-dependent tunneling in trilayer structures of La 2/3 Ba 1/3 MnO 3 /SrTiO 3 /La 2/3 Ba 1/3 MnO 3 . (orig.)

What makes an automated teller machine usable by blind users?

Science.gov (United States)

Manzke, J M; Egan, D H; Felix, D; Krueger, H

1998-07-01

Fifteen blind and sighted subjects, who featured as a control group for acceptance, were asked for their requirements for automated teller machines (ATMs). Both groups also tested the usability of a partially operational ATM mock-up. This machine was based on an existing cash dispenser, providing natural speech output, different function menus and different key arrangements. Performance and subjective evaluation data of blind and sighted subjects were collected. All blind subjects were able to operate the ATM successfully. The implemented speech output was the main usability factor for them. The different interface designs did not significantly affect performance and subjective evaluation. Nevertheless, design recommendations can be derived from the requirement assessment. The sighted subjects were rather open for design modifications, especially the implementation of speech output. However, there was also a mismatch of the requirements of the two subject groups, mainly concerning the key arrangement.

Effect of single vacancy on the structural, electronic structure and magnetic properties of monolayer graphyne by first-principles

Energy Technology Data Exchange (ETDEWEB)

Yun, Jiangni, E-mail: niniyun@nwu.edu.cn; Zhang, Yanni; Xu, Manzhang; Wang, Keyun; Zhang, Zhiyong

2016-10-01

The effect of single vacancy on the structural, electronic and magnetic properties of monolayer graphyne is investigated by the first-principles calculations. The calculated results reveal that single vacancy can result in the spin polarization in monolayer graphyne and the spin polarization is sensitive to local geometric structure of the vacancy. In the case of monolayer graphyne with one single vacancy at the sp{sup 2} hybridized C site, the vacancy introduces rather weakly spin-polarized, flat bands in the band gap. Due to the localization nature of the defect-induced bands, the magnetic moment is mainly localized at the vacancy site. As for the monolayer graphyne with one single vacancy at the sp hybridized C site, one defect-induced state which is highly split appears in the band gap. The spin-up band of the defect-induced state is highly dispersive and shows considerable delocalization, suggesting that the magnetic moment is dispersed around the vacancy site. The above magnetization in monolayer graphyne with one single vacancy is possibly explained in terms of the valence-bond theory. - Graphical abstract: Calculated band structure of the monolayer graphyne without (a) and with one single vacancy at Vb site (b) and at Vr site(c), respectively. Blue and red lines represent the spin-up and spin-down bands, respectively. For the sake of clarity, the band structure near the Fermi energy is also presented on the right panel. The Fermi level is set to zero on the energy scale. - Highlights: • A Jahn-Teller distortion occurs in monolayer graphyne with single vacancy. • The spin polarization is sensitive to local geometric structure of the vacancy. • Vacancy lying at sp{sup 2} hybridized C site introduces weakly spin-polarized defect bands. • A strong spin splitting occurs when the vacancy lies at sp hybridized C site. • The magnetization is explained in terms of the valence-bond theory.

Spectral intensities: The emission spectra for the Cs2NaScCl6: MoCl63- system in the Fm3m space group

International Nuclear Information System (INIS)

Acevedo, R.; Meruane, T.; Navarro, G.

2000-01-01

Taking advantage of the data reported by Flint and Paulusz, we have undertaken a theoretical investigation of the intensity mechanism for the various emissions; Γ 8 ( 2 T 2g ) → Γ 8 ( 4 A 2g ), Γ 8 ( 2 E g ), Γ 8 ( 2 T 1g ), Γ 6 ( 2 T 1g ) for the Cs 2 NaScCl 6 :MoCl 6 3- system in the Fm3m-space group. The experimental data reported by these authors, refer to the visible and near infrared luminescence spectra of MoCl 3- 6 complex ion in different host, such as Cs 2 NaMCl 6 (M = Sc, Y, In), measured between 15,000 cm -1 and 3,000 cm -1 at liquid helium temperatures. At least, five luminescence transitions have been identified and assigned and each of them show extensive vibronic structure, which was analyzed to yield the vibrational frequencies of the MoX 3- 6 (X -1 = Cl -1 Br -1 ) ion in each excitation. A careful analysis of the experimental data reported shows that for the various observed electronic transitions, the vibration frequencies do change only slightly, and therefore there is no indication that the system undergoes a Jahn-Teller distortion (along an active coordinate) of some importance to be taken into account in the current work. There is, though clear evidence that for the chloro-elpasolites, there is a strong resonance interaction between ν 3 (τ 1u : stretching) of the MoX 6 3- , complex ion and that of the host when M = In, Y. Thus for M = Sc, the slighter higher host ν 3 , wavenumber is likely to minimizes the effect of this coupling. This experimental evidence, will allow us for the Cs 2 NaScCl 6 3- system to neglect to first order approximation, the coupling among the internal and the external vibrations and to proceed using a both a molecular model and the independent system model (ISM)

Binding energy and photoionization cross-section of hydrogen-like impurity in a Poschl-Teller quantum well

International Nuclear Information System (INIS)

Hakimifard, A.

2010-01-01

The effect of the donor impurity position and the form of confining potential on the binding energy and the photoionization cross-section if a semiconductor quantum well with Poschl-Teller potential is investigated. An analytical expression for the photoionization cross-section is obtained for the case when the polarization vector of light wave is directed along the direction of size quantization. It is shown that the photoionization cross-section has a threshold behavior

Gamow-Teller resonances and a separable approximation for Skyrme tensor interactions

Directory of Open Access Journals (Sweden)

Severyukhin A. P.

2012-12-01

Full Text Available A finite rank separable approximation for the quasiparticle random phase approximation (QRPA with Skyrme interactions is applied to study properties of the Gamow-Teller (GT resonances in the neutron-rich Cd isotopes. This approximation enables one to reduce considerably the dimension of matrix that must be diagonalized to perform QRPA calculations in a very large configuration space. Our results from the SGII Skyrme interaction with the tensor interactions and the density-dependent zero-range pairing interaction show that the GT distribution is noticeably modified when the tensor correlations are taken into account. In particular, for 130Cd the dominant peak is moved 3.6 MeV downward and 10% of the GT distribution is shifted to the high excitation energy region near E=50MeV.

Dopant structural distortions in high-temperature superconductors: an active or a passive role?

International Nuclear Information System (INIS)

Haskel, D.; Stern, E.A.; Dogan, F.; Moodenbaugh, A.R.

2001-01-01

The parent compounds of high-temperature superconductors, such as YBa 2 Cu 3 O 6 and La 2 CuO 4 , are strongly interacting electron systems, rendering them insulators with Mott-Hubbard gaps of a few electron volts. Charge carriers (holes) are introduced by chemical doping, causing an insulator-metal (IM) transition and, at low temperatures, superconductivity. The role of dopants is widely seen as limited to the introduction of holes into the CuO 2 planes (i.e. occupying electronic states derived from Cu 3d x2-y2 and O 2p x,y atomic orbitals). Most theories of high-T c superconductivity deal with pairing interactions between these planar holes. Local distortions around dopants are poorly understood, because of the experimental difficulty in obtaining such information, particularly at low doping. This has resulted in the neglect, in most theories, of the effect of such distortions on the chemical and electronic structure of high-T c superconductors. Angular-resolved X-ray absorption fine structure (XAFS) spectroscopy on oriented samples is an ideal technique to elucidate the dopant distortions. Element specificity, together with a large orientation dependence of the XAFS signal in these layered structures, allows the local structure around dopants to be resolved. Results are presented here on (Sr, Ba) and Ni dopants, which substitute at the La and Cu sites, respectively, of insulating La 2 CuO 4 . The relevance of the measured local distortions for a complete understanding of the normal and superconducting properties of cuprates is discussed. (au)

Systems and methods for mirror mounting with minimized distortion

Science.gov (United States)

Antonille, Scott R. (Inventor); Wallace, Thomas E. (Inventor); Content, David A. (Inventor); Wake, Shane W. (Inventor)

2012-01-01

A method for mounting a mirror for use in a telescope includes attaching the mirror to a plurality of adjustable mounts; determining a distortion in the mirror caused by the plurality adjustable mounts, and, if the distortion is determined to be above a predetermined level: adjusting one or more of the adjustable mounts; and determining the distortion in the mirror caused by the adjustable mounts; and in the event the determined distortion is determined to be at or below the predetermined level, rigidizing the adjustable mounts.

Modelling the Perceptual Components of Loudspeaker Distortion

DEFF Research Database (Denmark)

Olsen, Sune L.; Agerkvist, Finn T.; MacDonald, Ewen

2016-01-01

While non-linear distortion in loudspeakers decreases audio quality, the perceptual consequences can vary substantially. This paper investigates the metric Rnonlin [1] which was developed to predict subjective measurements of sound quality in nonlinear systems. The generalisability of the metric...... the perceptual consequences of non-linear distortion....

The influence of the Coulomb-distortion effect on proton-proton observables

International Nuclear Information System (INIS)

Plessas, W.; Mathelitsch, L.

1980-01-01

The effect of the Coulomb distortion of the strong interaction is studied on the basis of nucleon-nucleon observables. In particular, cross sections, polarizations, spin-correlation parameters, and spin-transfer coefficients are considered for proton-proton as well as neutron-neutron scattering at laboratory kinetic energies Esub(Lab) = 10, 20, and 50 MeV. The calculations are performed for the meson-theoretical PARIS potential, the nonlocal separable GRAZ potential and also using the Arndt-Hackman-Roper parametrization of proton-proton scattering phase shifts. Important conclusions are drawn with respect to phenomenological phase-shift analyses. (Auth.)

Off-shell distortions of multichannel atomic processes

Science.gov (United States)

Barrachina, R. O.; Clauser, C. F.

2017-10-01

Any multichannel problem can be reduced to a succession of two-body events. However, these basic building blocks of many-body theories do not correspond to elastic processes but are off-the-energy-shell. In view of this difficulty, the great majority of the Distorted-Wave models includes a subsidiary approximation where these off-shell terms are arbitrarily forced to lie on the energy shell. At a first glance, since the energy deficiency is negligible for high enough velocities, the on-shell assumption seems to be completely justified. However, for the case of Coulomb interactions, the two-body off-shell distortions have branch-point singularities on the on-shell limit. In this article we demonstrate that these singularities might produce sizeable distortions of multiple scattering amplitudes, mainly when dealing with ion-ion collisions. Finally, we propose a method of including these distortions that might lead to better results that removing them completely.

Modeling Kinetics of Distortion in Porous Bi-layered Structures

DEFF Research Database (Denmark)

Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Bjørk, Rasmus

2013-01-01

because of different sintering rates of the materials resulting in undesired distortions of the component. An analytical model based on the continuum theory of sintering has been developed to describe the kinetics of densification and distortion in the sintering processes. A new approach is used...... to extract the material parameters controlling shape distortion through optimizing the model to experimental data of free shrinkage strains. The significant influence of weight of the sample (gravity) on the kinetics of distortion is taken in to consideration. The modeling predictions indicate good agreement...

Harmonic distortion in microwave photonic filters.

Science.gov (United States)

Rius, Manuel; Mora, José; Bolea, Mario; Capmany, José

2012-04-09

We present a theoretical and experimental analysis of nonlinear microwave photonic filters. Far from the conventional condition of low modulation index commonly used to neglect high-order terms, we have analyzed the harmonic distortion involved in microwave photonic structures with periodic and non-periodic frequency responses. We show that it is possible to design microwave photonic filters with reduced harmonic distortion and high linearity even under large signal operation.

CMB spectral distortions as solutions to the Boltzmann equations

Energy Technology Data Exchange (ETDEWEB)

Ota, Atsuhisa, E-mail: a.ota@th.phys.titech.ac.jp [Department of Physics, Tokyo Institute of Technology, Tokyo 152-8551 (Japan)

2017-01-01

We propose to re-interpret the cosmic microwave background spectral distortions as solutions to the Boltzmann equation. This approach makes it possible to solve the second order Boltzmann equation explicitly, with the spectral y distortion and the momentum independent second order temperature perturbation, while generation of μ distortion cannot be explained even at second order in this framework. We also extend our method to higher order Boltzmann equations systematically and find new type spectral distortions, assuming that the collision term is linear in the photon distribution functions, namely, in the Thomson scattering limit. As an example, we concretely construct solutions to the cubic order Boltzmann equation and show that the equations are closed with additional three parameters composed of a cubic order temperature perturbation and two cubic order spectral distortions. The linear Sunyaev-Zel'dovich effect whose momentum dependence is different from the usual y distortion is also discussed in the presence of the next leading order Kompaneets terms, and we show that higher order spectral distortions are also generated as a result of the diffusion process in a framework of higher order Boltzmann equations. The method may be applicable to a wider class of problems and has potential to give a general prescription to non-equilibrium physics.

Distortional solutions for loaded semi-discretized thin-walled beams

DEFF Research Database (Denmark)

Andreassen, Michael Joachim; Jönsson, Jeppe

2012-01-01

distortional displacement fields which decouple the reduced order differential equations. In this process the cross section is discretized into finite cross-section elements, and the natural distortional modes as well as the related axial variations are found as solutions to the established coupled fourth...... order homogeneous differential equations of GBT.In this paper the non-homogeneous distortional differential equations of GBT are formulated using this novel semi-discretization process. Transforming these non-homogeneous distortional differential equations into the natural eigenmode space by using...... the distortional modal matrix found for the homogeneous system, we get the uncoupled set of differential equations including the distributed loads. This uncoupling is very important in GBT, since the shear stiffness contribution from St. Venant torsional shear stress as well as “Bredt's shear flow” cannot...

Lattice shear distortions in fluorite structure oxides

International Nuclear Information System (INIS)

Faber, J. Jr.; Mueller, M.H.; Hitterman, R.L.

1979-01-01

Crystallographic shear distortions have been observed in fluorite structure, single crystals of UO 2 and Zr(Ca)O 2 /sub-x/ by neutron-diffraction techniques. These distortions localize on the oxygen sublattice and do not require the presence of an external strain. The internal rearrangement mode in UO 2 is a transverse, zone boundary q vector = 2π/a (0.5, 0.0) deformation with amplitude 0.014 A. In Zr(Ca)O/sub 2-x/, the mode is a longitudinal, q vector = 2-/a (0,0,0.5) deformation with amplitude 0.23 A. Cation-anion elastic interactions dominate in selecting the nature of the internal distortion

Theoretical investigations of the local distortion and spectral properties for VO{sup 2+} in SiO{sub 2} glass

Energy Technology Data Exchange (ETDEWEB)

Li, Mu-Neng; Zhang, Zhi-Hong; Wu, Shao-Yi [Univ. of Electronic Science and Technology of China, Chengdu (China). School of Physical Electronics

2017-07-01

The local distortions and the spin Hamiltonian parameters g factors g {sub parallel}, g {sub perpendicular} {sub to} and the hyperfine structure constants A {sub parallel} and A {sub perpendicular} {sub to} for isolated vanadyl ions VO{sup 2+} doped in SiO{sub 2} glass at 700 C are theoretically investigated from the perturbation formulas of these parameters for a 3d{sup 1} ion in tetragonally compressed octahedra. In these formulas, the relationships between local structure of VO{sup 2+} ions center and the tetragonal crystal field parameters are established. As a result, the distortion of the ligand octahedron is attributed to the strong axial crystal-fields associated with the short V{sup 4+}-O{sup 2-} bond due to the strong V=O bonding in the silica matrix. The theoretical spin Hamiltonian parameters obtained in this work show reasonable agreement with the experimental data.

Coulomb Distortion in the Inelastic Regime

Energy Technology Data Exchange (ETDEWEB)

Patricia Solvignon, Dave Gaskell, John Arrington

2009-09-01

The Coulomb distortion effects have been for a long time neglected in deep inelastic scattering for the good reason that the incident energies were very high. But for energies in the range of earlier data from SLAC or at JLab, the Coulomb distortion could have the potential consequence of affecting the A-dependence of the EMC effect and of the longitudinal to transverse virtual photon absorption cross section ratio $R(x,Q^2)$.

Effects of image distortion correction on voxel-based morphometry

International Nuclear Information System (INIS)

Goto, Masami; Abe, Osamu; Kabasawa, Hiroyuki

2012-01-01

We aimed to show that correcting image distortion significantly affects brain volumetry using voxel-based morphometry (VBM) and to assess whether the processing of distortion correction reduces system dependency. We obtained contiguous sagittal T 1 -weighted images of the brain from 22 healthy participants using 1.5- and 3-tesla magnetic resonance (MR) scanners, preprocessed images using Statistical Parametric Mapping 5, and tested the relation between distortion correction and brain volume using VBM. Local brain volume significantly increased or decreased on corrected images compared with uncorrected images. In addition, the method used to correct image distortion for gradient nonlinearity produced fewer volumetric errors from MR system variation. This is the first VBM study to show more precise volumetry using VBM with corrected images. These results indicate that multi-scanner or multi-site imaging trials require correction for distortion induced by gradient nonlinearity. (author)

Tomosynthesis-detected Architectural Distortion: Management Algorithm with Radiologic-Pathologic Correlation.

Science.gov (United States)

Durand, Melissa A; Wang, Steven; Hooley, Regina J; Raghu, Madhavi; Philpotts, Liane E

2016-01-01

As use of digital breast tomosynthesis becomes increasingly widespread, new management challenges are inevitable because tomosynthesis may reveal suspicious lesions not visible at conventional two-dimensional (2D) full-field digital mammography. Architectural distortion is a mammographic finding associated with a high positive predictive value for malignancy. It is detected more frequently at tomosynthesis than at 2D digital mammography and may even be occult at conventional 2D imaging. Few studies have focused on tomosynthesis-detected architectural distortions to date, and optimal management of these distortions has yet to be well defined. Since implementing tomosynthesis at our institution in 2011, we have learned some practical ways to assess architectural distortion. Because distortions may be subtle, tomosynthesis localization tools plus improved visualization of adjacent landmarks are crucial elements in guiding mammographic identification of elusive distortions. These same tools can guide more focused ultrasonography (US) of the breast, which facilitates detection and permits US-guided tissue sampling. Some distortions may be sonographically occult, in which case magnetic resonance imaging may be a reasonable option, both to increase diagnostic confidence and to provide a means for image-guided biopsy. As an alternative, tomosynthesis-guided biopsy, conventional stereotactic biopsy (when possible), or tomosynthesis-guided needle localization may be used to achieve tissue diagnosis. Practical uses for tomosynthesis in evaluation of architectural distortion are highlighted, potential complications are identified, and a working algorithm for management of tomosynthesis-detected architectural distortion is proposed. (©)RSNA, 2016.

Spatial distortion in MRI with application to stereotactic neurosurgery

International Nuclear Information System (INIS)

Morgan, P.S.

1999-05-01

The aim of this work was to implement a thorough method for quantifying the errors introduced to frame-based neurosurgical stereotactic procedures by the use of MRI. Chang and Fitzpatrick's reversed gradient distortion correction method was used, in combination with a phantom, to measure these errors. Spatial distortion in MR images of between 1 mm and 2 mm was measured. Further analysis showed that this typically introduced an additional error in the coordinate of the actual treatment point of 0.7 mm. The implications of this are discussed. The main source of distortion in the MR images used for stereotaxis was found to be the head ring. A comparison between imaging sequences and MR scanners revealed that the spatial distortion depends mainly on the bandwidth per pixel of the sequence rather than other differences in the imaging sequences. By comparison with a phase map distortion correction technique, the imaging parameters required to allow successful distortion correction with the reversed gradient method were identified. The most important was the use of full Fourier spin echo acquisitions. The reversed gradient correction method was applied to two contemporary EPI techniques. Considerable improvement was seen in the production of ADC maps after the images had been corrected for distortion. The method also was shown to be valid in application to BOLD fMRl data. (author)

Electronic properties of rocksalt copper monoxide: a proxy structure for high temperature superconductivity

International Nuclear Information System (INIS)

Grant, Paul M

2008-01-01

Cubic rocksalt copper monoxide, in contrast to its lighter transition metal neighbours, does not exist in nature nor has it yet been successfully synthesized. Nonetheless, its numerical study as a structurally much simpler proxy for the layered cuprate perovskites may prove useful in probing the source of high temperature superconductivity in the latter family of compounds. Here we report such a study employing density functional theory (DFT) abetted by the local density approximation including cation on-site Hubbard interactions (LDA+U). Rather surprisingly, we find that unlike oxides of the light transition metals, cubic CuO remains metallic for all physically reasonable values of U and does not result in a Mott- Hubbard induced charge transfer insulator as might be expected, and, in fact, displays a Fermi surface with clearly nesting tendencies. Preliminary calculations of the net dimensionless electron-phonon coupling constant, λ, yield values in the range 0.6 - 0.7 similar to those found for the superconducting fullerenes and magnesium diboride. On the other hand, we do find as we gradually introduce a tetragonal distortion away from pure cubic symmetry that a charge- transfer insulator emerges for values of U ∼ 5 eV and c/a ∼ 1.3 in agreement with recent experimental data on forced-epitaxial growth of 2-4 ML thick films of tetragonal rocksalt CuO. We preliminarily conclude from these computational studies that high temperature superconductivity in the copper oxide compounds is at least initially mediated by Jahn-Teller driven electron-phonon coupling as originally suggested by Bednorz and Mueller.

Distortion dependent intersystem crossing

DEFF Research Database (Denmark)

Stephansen, Anne Boutrup; Sølling, Theis Ivan

2017-01-01

. The effect is observed to increase in the presence of methyl-groups on the pinnacle carbon-atoms, where largest extents of r and p orbital-mixing are observed. This is fully consistent with the time-resolved spectroscopy data: Toluene and p-xylene show evidence for ultrafast triplet formation competing......The competition between ultrafast intersystem crossing and internal conversion in benzene, toluene, and p-xylene is investigated with time-resolved photoelectron spectroscopy and quantum chemical calculations. By exciting to S2 out-of-plane symmetry breaking, distortions are activated at early...... times whereupon spin-forbidden intersystem crossing becomes (partly) allowed. Natural bond orbital analysis suggests that the pinnacle carbon atoms distorting from the aromatic plane change hybridization between the planar Franck-Condon geometry and the deformed (boat-shaped) S2 equilibrium geometry...

Economic choices reveal probability distortion in macaque monkeys.

Science.gov (United States)

Stauffer, William R; Lak, Armin; Bossaerts, Peter; Schultz, Wolfram

2015-02-18

Economic choices are largely determined by two principal elements, reward value (utility) and probability. Although nonlinear utility functions have been acknowledged for centuries, nonlinear probability weighting (probability distortion) was only recently recognized as a ubiquitous aspect of real-world choice behavior. Even when outcome probabilities are known and acknowledged, human decision makers often overweight low probability outcomes and underweight high probability outcomes. Whereas recent studies measured utility functions and their corresponding neural correlates in monkeys, it is not known whether monkeys distort probability in a manner similar to humans. Therefore, we investigated economic choices in macaque monkeys for evidence of probability distortion. We trained two monkeys to predict reward from probabilistic gambles with constant outcome values (0.5 ml or nothing). The probability of winning was conveyed using explicit visual cues (sector stimuli). Choices between the gambles revealed that the monkeys used the explicit probability information to make meaningful decisions. Using these cues, we measured probability distortion from choices between the gambles and safe rewards. Parametric modeling of the choices revealed classic probability weighting functions with inverted-S shape. Therefore, the animals overweighted low probability rewards and underweighted high probability rewards. Empirical investigation of the behavior verified that the choices were best explained by a combination of nonlinear value and nonlinear probability distortion. Together, these results suggest that probability distortion may reflect evolutionarily preserved neuronal processing. Copyright © 2015 Stauffer et al.

Distortion definition and correction in off-axis systems

Science.gov (United States)

Da Deppo, Vania; Simioni, Emanuele; Naletto, Giampiero; Cremonese, Gabriele

2015-09-01

Off-axis optical configurations are becoming more and more used in a variety of applications, in particular they are the most preferred solution for cameras devoted to Solar System planets and small bodies (i.e. asteroids and comets) study. Off-axis designs, being devoid of central obstruction, are able to guarantee better PSF and MTF performance, and thus higher contrast imaging capabilities with respect to classical on-axis designs. In particular they are suitable for observing extended targets with intrinsic low contrast features, or scenes where a high dynamical signal range is present. Classical distortion theory is able to well describe the performance of the on-axis systems, but it has to be adapted for the off-axis case. A proper way to deal with off-axis distortion definition is thus needed together with dedicated techniques to accurately measure and hence remove the distortion effects present in the acquired images. In this paper, a review of the distortion definition for off-axis systems will be given. In particular the method adopted by the authors to deal with the distortion related issues (definition, measure, removal) in some off-axis instruments will be described in detail.

Word Recognition for Temporally and Spectrally Distorted Materials

DEFF Research Database (Denmark)

Smith, Sherri L.; Pichora-Fuller, Margaret Kathleen; Wilson, Richard H.

2012-01-01

listeners with near-normal hearing and hearing loss performed best in the unaltered condition, followed by the jitter and smear conditions, with the poorest performance in the combined jitter-smear condition in both quiet and noise. Overall, listeners with near-normal hearing performed better than listeners...... to predict group differences, but not the effects of distortion. Individual differences in performance were similar across all distortion conditions with both age and hearing loss being implicated. The speech materials needed to be both spectrally and temporally distorted to mimic the effects of age...

An Iterative Optimization Algorithm for Lens Distortion Correction Using Two-Parameter Models

Directory of Open Access Journals (Sweden)

Daniel Santana-Cedrés

2016-12-01

Full Text Available We present a method for the automatic estimation of two-parameter radial distortion models, considering polynomial as well as division models. The method first detects the longest distorted lines within the image by applying the Hough transform enriched with a radial distortion parameter. From these lines, the first distortion parameter is estimated, then we initialize the second distortion parameter to zero and the two-parameter model is embedded into an iterative nonlinear optimization process to improve the estimation. This optimization aims at reducing the distance from the edge points to the lines, adjusting two distortion parameters as well as the coordinates of the center of distortion. Furthermore, this allows detecting more points belonging to the distorted lines, so that the Hough transform is iteratively repeated to extract a better set of lines until no improvement is achieved. We present some experiments on real images with significant distortion to show the ability of the proposed approach to automatically correct this type of distortion as well as a comparison between the polynomial and division models.

Nonthermal ice nucleation observed at distorted contact lines of supercooled water drops.

Science.gov (United States)

Yang, Fan; Cruikshank, Owen; He, Weilue; Kostinski, Alex; Shaw, Raymond A

2018-02-01

Ice nucleation is the crucial step for ice formation in atmospheric clouds and therefore underlies climatologically relevant precipitation and radiative properties. Progress has been made in understanding the roles of temperature, supersaturation, and material properties, but an explanation for the efficient ice nucleation occurring when a particle contacts a supercooled water drop has been elusive for over half a century. Here, we explore ice nucleation initiated at constant temperature and observe that mechanical agitation induces freezing of supercooled water drops at distorted contact lines. Results show that symmetric motion of supercooled water on a vertically oscillating substrate does not freeze, no matter how we agitate it. However, when the moving contact line is distorted with the help of trace amounts of oil or inhomogeneous pinning on the substrate, freezing can occur at temperatures much higher than in a static droplet, equivalent to ∼10^{10} increase in nucleation rate. Several possible mechanisms are proposed to explain the observations. One plausible explanation among them, decreased pressure due to interface curvature, is explored theoretically and compared with the observational results quasiquantitatively. Indeed, the observed freezing-temperature increase scales with contact line speed in a manner consistent with the pressure hypothesis. Whatever the mechanism, the experiments demonstrate a strong preference for ice nucleation at three-phase contact lines compared to the two-phase interface, and they also show that movement and distortion of the contact line are necessary contributions to stimulating the nucleation process.

The role of visual similarity and memory in body model distortions.

Science.gov (United States)

Saulton, Aurelie; Longo, Matthew R; Wong, Hong Yu; Bülthoff, Heinrich H; de la Rosa, Stephan

2016-02-01

Several studies have shown that the perception of one's own hand size is distorted in proprioceptive localization tasks. It has been suggested that those distortions mirror somatosensory anisotropies. Recent research suggests that non-corporeal items also show some spatial distortions. In order to investigate the psychological processes underlying the localization task, we investigated the influences of visual similarity and memory on distortions observed on corporeal and non-corporeal items. In experiment 1, participants indicated the location of landmarks on: their own hand, a rubber hand (rated as most similar to the real hand), and a rake (rated as least similar to the real hand). Results show no significant differences between rake and rubber hand distortions but both items were significantly less distorted than the hand. Experiments 2 and 3 explored the role of memory in spatial distance judgments of the hand, the rake and the rubber hand. Spatial representations of items measured in experiments 2 and 3 were also distorted but showed the tendency to be smaller than in localization tasks. While memory and visual similarity seem to contribute to explain qualitative similarities in distortions between the hand and non-corporeal items, those factors cannot explain the larger magnitude observed in hand distortions. Copyright © 2015. Published by Elsevier B.V.

Can journalistic "false balance" distort public perception of consensus in expert opinion?

Science.gov (United States)

Koehler, Derek J

2016-03-01

Media critics have expressed concern that journalistic "false balance" can distort the public's perceptions of what ought to be noncontroversial subjects (e.g., climate change). I report several experiments testing the influence of presenting conflicting comments from 2 experts who disagree on an issue (balance condition) in addition to a complete count of the number of experts on a panel who favor either side. Compared with a control condition, who received only the complete count, participants in the balance condition gave ratings of the perceived agreement among the experts that did not discriminate as clearly between issues with and without strong expert consensus. Participants in the balance condition also perceived less agreement among the experts in general, and were less likely to think that there was enough agreement among experts on the high-consensus issues to guide government policy. Evidently, "false balance" can distort perceptions of expert opinion even when participants would seem to have all the information needed to correct for its influence. (c) 2016 APA, all rights reserved).

Fisheye image rectification using spherical and digital distortion models

Science.gov (United States)

Li, Xin; Pi, Yingdong; Jia, Yanling; Yang, Yuhui; Chen, Zhiyong; Hou, Wenguang

2018-02-01

Fisheye cameras have been widely used in many applications including close range visual navigation and observation and cyber city reconstruction because its field of view is much larger than that of a common pinhole camera. This means that a fisheye camera can capture more information than a pinhole camera in the same scenario. However, the fisheye image contains serious distortion, which may cause trouble for human observers in recognizing the objects within. Therefore, in most practical applications, the fisheye image should be rectified to a pinhole perspective projection image to conform to human cognitive habits. The traditional mathematical model-based methods cannot effectively remove the distortion, but the digital distortion model can reduce the image resolution to some extent. Considering these defects, this paper proposes a new method that combines the physical spherical model and the digital distortion model. The distortion of fisheye images can be effectively removed according to the proposed approach. Many experiments validate its feasibility and effectiveness.

Distortions in the output signals of conventional spectrum analyzers

International Nuclear Information System (INIS)

Njau, E.C.

1988-08-01

We show that the output signals of conventional spectrum analysers contain distortions which basically originate from the signal processing performed inside the analysers' frequency convertors. Total elimination of these distortions through normal filtering techniques is difficult owing to the closeness of some of their frequencies to the corresponding frequencies of the required signals. Simple design adjustments that can minimize these distortions are suggested. (author). 7 refs, 2 figs

Appraisal Distortions and Intimate Partner Violence: Gender, Power, and Interaction

Science.gov (United States)

Whiting, Jason B.; Oka, Megan; Fife, Stephen T.

2012-01-01

In relationships characterized by control, abuse, or violence, many appraisal distortions occur including denial and minimization. However, the nature of the distortion varies depending on the individual's role in the relationship (i.e., abuser or victim). Reducing these distortions is an important component in treatment success and involves…

Evidence of two-channel distortion effects in positronium formation reactions

International Nuclear Information System (INIS)

Macri, P A; Miraglia, J E; Hanssen, J; Fojon, O A; Rivarola, R D

2004-01-01

The formation of ground-state positronium in collisions of positrons on hydrogen-like atoms is considered. In previous theoretical works, two-centre distorted wavefunctions were employed to approximate either the initial or the final channel. Here we report results obtained by means of the eikonal final state continuum distorted wave approximation for which asymptotically correct distorted wavefunctions are used for both the initial and final states of the scattering system. Comparison of the present theoretical total cross sections with experimental data reveals that distortion effects become important in both channels as the impact energy decreases. This work also shows that distorted-wave theories may be extended from their usual domain of high impact energies to lower ones. (letter to the editor)

Evidence of two-channel distortion effects in positronium formation reactions

Energy Technology Data Exchange (ETDEWEB)

Macri, P A [Instituto de AstronomIa y FIsica del Espacio, Consejo Nacional de Investigaciones CientIficas y Tecnicas-Universidad de Buenos Aires, Casilla de Correo 67, Suc. 28, 1428 Buenos Aires (Argentina); Miraglia, J E [Instituto de AstronomIa y FIsica del Espacio, Consejo Nacional de Investigaciones CientIficas y Tecnicas-Universidad de Buenos Aires, Casilla de Correo 67, Suc. 28, 1428 Buenos Aires (Argentina); Hanssen, J [Laboratoire de Physique Moleculaire et des Collisions, Institute de Physique Rue Arago, Tecnopole 2000, Metz (France); Fojon, O A [Instituto de FIsica de Rosario, Consejo Nacional de Investigaciones CientIficas y Tecnicas-Universidad Nacional de Rosario, Av. Pellegrini 250, 2000 Rosario (Argentina); Rivarola, R D [Instituto de FIsica de Rosario, Consejo Nacional de Investigaciones CientIficas y Tecnicas-Universidad Nacional de Rosario, Av. Pellegrini 250, 2000 Rosario (Argentina)

2004-03-28

The formation of ground-state positronium in collisions of positrons on hydrogen-like atoms is considered. In previous theoretical works, two-centre distorted wavefunctions were employed to approximate either the initial or the final channel. Here we report results obtained by means of the eikonal final state continuum distorted wave approximation for which asymptotically correct distorted wavefunctions are used for both the initial and final states of the scattering system. Comparison of the present theoretical total cross sections with experimental data reveals that distortion effects become important in both channels as the impact energy decreases. This work also shows that distorted-wave theories may be extended from their usual domain of high impact energies to lower ones. (letter to the editor)

Using CMB spectral distortions to distinguish between dark matter solutions to the small-scale crisis

Energy Technology Data Exchange (ETDEWEB)

Diacoumis, James A.D.; Wong, Yvonne Y.Y., E-mail: j.diacoumis@unsw.edu.au, E-mail: yvonne.y.wong@unsw.edu.au [School of Physics, The University of New South Wales, Sydney NSW 2052 (Australia)

2017-09-01

The dissipation of small-scale perturbations in the early universe produces a distortion in the blackbody spectrum of cosmic microwave background photons. In this work, we propose to use these distortions as a probe of the microphysics of dark matter on scales 1 Mpc{sup -1}∼< k ∼< 10{sup 4} Mpc{sup -1}. We consider in particular models in which the dark matter is kinetically coupled to either neutrinos or photons until shortly before recombination, and compute the photon heating rate and the resultant μ-distortion in both cases. We show that the μ-parameter is generally enhanced relative to ΛCDM for interactions with neutrinos, and may be either enhanced or suppressed in the case of interactions with photons. The deviations from the ΛCDM signal are potentially within the sensitivity reach of a PRISM-like experiment if σ{sub DM-γ} ∼> 1.1 × 10{sup -30} (m{sub DM}/GeV) cm{sup 2} and σ{sub DM-ν} ∼> 4.8 × 10{sup -32} (m{sub DM}/GeV) cm{sup 2} for time-independent cross sections, and σ{sup 0}{sub DM-γ} ∼> 1.8 × 10{sup -40} (m{sub DM}/GeV) cm{sup 2} and σ{sup 0}{sub DM-ν} ∼> 2.5 × 10{sup -47} (m{sub DM}/GeV) cm{sup 2} for cross sections scaling as temperature squared, coinciding with the parameter regions in which late kinetic decoupling may serve as a solution to the small-scale crisis. Furthermore, these μ-distortion signals differ from those of warm dark matter (no deviation from ΛCDM) and a suppressed primordial power spectrum (a strongly suppressed or negative μ-parameter), demonstrating that CMB spectral distortion can potentially be used to distinguish between solutions to the small-scale crisis.

Testing inflation and curvaton scenarios with CMB distortions

International Nuclear Information System (INIS)

Clesse, Sébastien; Garbrecht, Björn; Zhu, Yi

2014-01-01

Prior to recombination, Silk damping causes the dissipation of energy from acoustic waves into the monopole of the Cosmic Microwave Background (CMB), resulting in spectral distortions. These can be used to probe the primordial scalar power spectrum on smaller scales than it is possible with CMB anisotropies. An enhancement of power on these scales is nevertheless required for the resulting distortions to be detectable by future experiments like PIXIE. In this paper, we examine all 49 single-field inflation models listed by Martin et al. in the Encyclopaedia Inflationaris [1] and find that only one of these may lead to a detectable level of distortions in a tuned region of its parameter space, namely the original hybrid model. Three effective multi-field scenarios are also studied: with softly and suddenly turning trajectories, and with a mild waterfall trajectory. Softly turning trajectories do not induce distortions at any detectable level, whereas a sudden turn in the field space or a mild waterfall trajectory predicts a peak (plus damped oscillations in the sudden turn case) in the scalar power spectrum, which can lead to an observable amount of CMB distortions. Finally, another scenario leading to potentially detectable distortions involves a curvaton whose blue spectrum is subdominant on CMB angular scales and overtakes the inflaton spectrum on smaller scales. In this case however, we show that the bounds from ultra compact minihaloes are not satisfied. Expectations for an ultimate PRISM-class experiment characterized by an improvement in sensitivity by a factor of ten are discussed for some models

Testing inflation and curvaton scenarios with CMB distortions

Science.gov (United States)

Clesse, Sébastien; Garbrecht, Björn; Zhu, Yi

2014-10-01

Prior to recombination, Silk damping causes the dissipation of energy from acoustic waves into the monopole of the Cosmic Microwave Background (CMB), resulting in spectral distortions. These can be used to probe the primordial scalar power spectrum on smaller scales than it is possible with CMB anisotropies. An enhancement of power on these scales is nevertheless required for the resulting distortions to be detectable by future experiments like PIXIE. In this paper, we examine all 49 single-field inflation models listed by Martin et al. in the Encyclopaedia Inflationaris [1] and find that only one of these may lead to a detectable level of distortions in a tuned region of its parameter space, namely the original hybrid model. Three effective multi-field scenarios are also studied: with softly and suddenly turning trajectories, and with a mild waterfall trajectory. Softly turning trajectories do not induce distortions at any detectable level, whereas a sudden turn in the field space or a mild waterfall trajectory predicts a peak (plus damped oscillations in the sudden turn case) in the scalar power spectrum, which can lead to an observable amount of CMB distortions. Finally, another scenario leading to potentially detectable distortions involves a curvaton whose blue spectrum is subdominant on CMB angular scales and overtakes the inflaton spectrum on smaller scales. In this case however, we show that the bounds from ultra compact minihaloes are not satisfied. Expectations for an ultimate PRISM-class experiment characterized by an improvement in sensitivity by a factor of ten are discussed for some models.

Gamow-Teller strength distributions and electron capture rates for 55Co and 56Ni

International Nuclear Information System (INIS)

Nabi, Jameel-Un; Rahman, Muneeb-Ur

2005-01-01

The Gamow-Teller strength (GT) distributions and electron capture rates on 55 Co and 56 Ni have been calculated using the proton-neutron quasiparticle random phase approximation theory. We calculate these weak interaction mediated rates over a wide temperature (0.01x10 9 -30x10 9 K) and density (10-10 11 gcm -3 ) domain. Electron capture process is one of the essential ingredients involved in the complex dynamics of supernova explosion. Our calculations of electron capture rates show differences with the reported shell model diagonalization approach calculations and are comparatively enhanced at presupernova temperatures. We note that the GT strength is fragmented over many final states

Orbital physics in sulfur spinels: ordered, liquid and glassy ground states

International Nuclear Information System (INIS)

Buettgen, N; Hemberger, J; Fritsch, V; Krimmel, A; Muecksch, M; Nidda, H-A Krug von; Lunkenheimer, P; Fichtl, R; Tsurkan, V; Loidl, A

2004-01-01

Measurements of magnetization M(T, H), heat capacity C(T), NMR lineshift K(T) and linewidth Δ(T), neutron scattering S(Q, ω, T) and broadband dielectric spectroscopy ε(ω, T) provide experimental evidence of the different orbital ground states in the cubic sulfur spinels under investigation. In all compounds, the tetrahedrally coordinated Jahn-Teller ions Fe 2+ are characterized by a degeneracy of the orbital degrees of freedom. Particularly, we found a long-range orbital ordering in polycrystalline (PC) FeCr 2 S 4 , and a glassy freezing of the orbital degrees of freedom in FeCr 2 S 4 (single crystals) (SCs). In contrast, FeSc 2 S 4 belongs to the rare class of spin-orbital liquids, where quantum fluctuations accompanying the glassy freezing of the orbitals suppress long-range magnetic order

Structures and properties of spatially distorted porphyrins

International Nuclear Information System (INIS)

Golubchikov, Oleg A; Kuvshinova, Elizaveta M; Pukhovskaya, Svetlana G

2005-01-01

The published data on the structures and properties of porphyrins with distorted aromatic macrocycles are generalised and analysed. Data on the crystal structures, spectra and kinetics of formation and dissociation of their coordination derivatives are summarised. It is demonstrated that the distortion of the planar structure of the tetrapyrrole core is one of the most efficient means of controlling spectral, physicochemical and coordination properties of these compounds.

An Exploratory Study of the Critical Factors Affecting the Acceptability of Automated Teller Machine (ATM) in Nigeria

OpenAIRE

Olusegun Folorunso; Oluwafunmilayo Ayobami Ateji; Gabriel Oludare Awe

2010-01-01

This paper uses the Technology Acceptance Model (TAM) as a basis for studying critical factors that affects the acceptability of Automated Teller Machine (ATM) in Nigeria. Questionnaire approach was used with the respondents predominantly between 20-29 years old. Factor analysis was used to test which of the factors are the main factors affecting the adoption of the technology in Nigeria. It was discovered that the major factors affecting people’s intention to accept ATM are the security issu...

Effects Of Field Distortions In Ih-apf Linac

CERN Document Server

Kapin, Valery; Yamada, S

2004-01-01

The project on developing compact medical accelera-tors for the tumor therapy using carbon ions has been started at the National Institute of Radiological Sciences (NIRS). Alternating-phase-focused (APF) linac using an interdigital H-mode (IH) cavity has been proposed for the injector linac. The IH-cavity is doubly ridged circular resonator loaded by the drift-tubes mounted on ridges with supporting stems. The effects of intrinsic and random field distortions in a practical design of the 4-MeV/u 200 MHz IH-APF linac are considered. The intrinsic field distortions in IH-cavity are caused by the asymmetry of the gap field due to presence of the drift-tube supporting stems and pair of ridges. The random field distortions are caused by drift-tube misalignments and non-regular deviations of the voltage distribution from programmed law. The RF fields in IH-cavity have been calculated using Microwave Studio (MWS) code. The effects of field distortions on beam dynamics have been simulated numerically.

Expertise and processing distorted structure in chess.

Science.gov (United States)

Bartlett, James C; Boggan, Amy L; Krawczyk, Daniel C

2013-01-01

A classic finding in research on human expertise and knowledge is that of enhanced memory for stimuli in a domain of expertise as compared to either stimuli outside that domain, or within-domain stimuli that have been degraded or distorted in some way. However, we do not understand how experts process degradation or distortion of stimuli within the expert domain (e.g., a face with the eyes, nose, and mouth in the wrong positions, or a chessboard with pieces placed randomly). Focusing on the domain of chess, we present new fMRI evidence that when experts view such distorted/within-domain stimuli, they engage an active search for structure-a kind of exploratory chunking-that involves a component of a prefrontal-parietal network linked to consciousness, attention and working memory.

Could unstable relic particles distort the microwave background radiation?

International Nuclear Information System (INIS)

Dar, A.; Loeb, A.; Nussinov, S.

1989-01-01

Three general classes of possible scenarios for the recently reported distortion of the microwave background radiation (MBR) via decaying relic weakly interacting particles are analyzed. The analysis shows that such particles could not reheat the universe and cause the spectral distortion of the MBR. Gravitational processes such as the early formation of massive black holes may still be plausible energy sources for producing the reported spectral distortion of the MBR at an early cosmological epoch. 24 references

Gamow-Teller strength in deformed nuclei within self-consistent pnQRPA with the Gogny force

Directory of Open Access Journals (Sweden)

Martini M.

2014-03-01

Full Text Available In recent years fully consistent quasiparticle random-phase approximation (QRPA calculations using finite range Gogny force have been performed to study electromagnetic excitations of several axially-symmetric deformed nuclei up to the 238U. Here we present the extension of this approach to the charge-exchange nuclear excitations (pn-QRPA. In particular we focus on the Gamow-Teller (GT excitations. A comparison of the predicted GT strength distribution with existing experimental data is presented The role of nuclear deformation is shown. Special attention is paid to β-decay half-lives calculations for which experimental data exist.

Anisotropic extinction distortion of the galaxy correlation function

International Nuclear Information System (INIS)

Fang Wenjuan; Hui Lam; Menard, Brice; May, Morgan; Scranton, Ryan

2011-01-01

Similar to the magnification of the galaxies' fluxes by gravitational lensing, the extinction of the fluxes by comic dust, whose existence is recently detected by [B. Menard, R. Scranton, M. Fukugita, and G. Richards, Mon. Not. R. Astron. Soc. 405, 1025 (2010).], also modifies the distribution of a flux-selected galaxy sample. We study the anisotropic distortion by dust extinction to the 3D galaxy correlation function, including magnification bias and redshift distortion at the same time. We find the extinction distortion is most significant along the line of sight and at large separations, similar to that by magnification bias. The correction from dust extinction is negative except at sufficiently large transverse separations, which is almost always opposite to that from magnification bias (we consider a number count slope s>0.4). Hence, the distortions from these two effects tend to reduce each other. At low z (< or approx. 1), the distortion by extinction is stronger than that by magnification bias, but at high z, the reverse holds. We also study how dust extinction affects probes in real space of the baryon acoustic oscillations (BAO) and the linear redshift distortion parameter β. We find its effect on BAO is negligible. However, it introduces a positive scale-dependent correction to β that can be as large as a few percent. At the same time, we also find a negative scale-dependent correction from magnification bias, which is up to percent level at low z, but to ∼40% at high z. These corrections are non-negligible for precision cosmology, and should be considered when testing General Relativity through the scale-dependence of β.

Characterization, prediction, and correction of geometric distortion in 3 T MR images

International Nuclear Information System (INIS)

Baldwin, Lesley N.; Wachowicz, Keith; Thomas, Steven D.; Rivest, Ryan; Gino Fallone, B.

2007-01-01

The work presented herein describes our methods and results for predicting, measuring and correcting geometric distortions in a 3 T clinical magnetic resonance (MR) scanner for the purpose of image guidance in radiation treatment planning. Geometric inaccuracies due to both inhomogeneities in the background field and nonlinearities in the applied gradients were easily visualized on the MR images of a regularly structured three-dimensional (3D) grid phantom. From a computed tomography scan, the locations of just under 10 000 control points within the phantom were accurately determined in three dimensions using a MATLAB-based computer program. MR distortion was then determined by measuring the corresponding locations of the control points when the phantom was imaged using the MR scanner. Using a reversed gradient method, distortions due to gradient nonlinearities were separated from distortions due to inhomogeneities in the background B 0 field. Because the various sources of machine-related distortions can be individually characterized, distortions present in other imaging sequences (for which 3D distortion cannot accurately be measured using phantom methods) can be predicted negating the need for individual distortion calculation for a variety of other imaging sequences. Distortions were found to be primarily caused by gradient nonlinearities and maximum image distortions were reported to be less than those previously found by other researchers at 1.5 T. Finally, the image slices were corrected for distortion in order to provide geometrically accurate phantom images

The psychological analysis of distortions of a behaviour of schoolboys living in various regions

International Nuclear Information System (INIS)

Furmanov, I.A.

1995-01-01

The necessity of compelled living on contaminated territory and the state social psychological disadaptation, connected with expectation of a remove to other regions, is the reason that the children are in a situation of a prolongation stress, destroying motivational, emotional, strong-willed and moral components of a behaviour regulation. It results to inadequate behaviour reactions to effects of social environment and varying conditions of activity. For the explanation of the reasons of a distortion of behaviour in a critical situation a psychological diagnostics of school teenagers living in the contamination and 'clear' regions was conducted, inter regional distinctions in the behaviour sphere of schoolboys are determined, psychological analysis of the main components of a regulation of a behaviour of teenagers with a various level of an aggressive is conducted. A psychological portrait of schoolboys with various types of behaviour distortions is received. Main directions of a correction work with various categories schoolboys are offered. 8 refs., 1 tab

Spin-state responses to light impurity substitution in low-spin perovskite LaCoO3

Science.gov (United States)

Tomiyasu, Keisuke; Kubota, Yuuki; Shimomura, Saya; Onodera, Mitsugi; Koyama, Syun-Ichi; Nojima, Tsutomu; Ishihara, Sumio; Nakao, Hironori; Murakami, Youichi

2013-06-01

We studied the spin-state responses to light impurity substitution in low-spin perovskite LaCoO3 (Co3+: d6) through magnetization, x-ray fluorescence, and electrical resistivity measurements of single-crystal LaCo0.99M0.01O3 (M = Cr, Mn, Fe, Ni). In the magnetization curves measured at 1.8 K, a change in the spin-state was not observed for Cr, Mn, or Fe substitution but was observed for Ni substitution. Strong magnetic anisotropy was also found in the Ni-substituted sample. The fluorescence measurements revealed that the valences were roughly estimated to be Cr3+, Mn(4-δ)+, Fe(3+δ')+, and Ni3+. From the observed chemical trends, we propose that the chemical potential is a key factor in inducing the change of the low-spin state. By expanding a model of the ferromagnetic spin-state heptamer generated by hole doping [Podlesnyak , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.101.247603 101, 247603 (2008)], the emergence of highly anisotropic spin-state molecular ferromagnets induced by low-spin Ni3+ with Jahn-Teller activity is suggested. We also discuss applicability of the present results to other materials with Fe (d6).

Carrier Distortion in Hysteretic Self-Oscillating Class-D Audio Power

DEFF Research Database (Denmark)

Høyerby, Mikkel Christian Kofod; Andersen, Michael A. E.

2009-01-01

An important distortion mechanism in hysteretic self-oscillating (SO) class-D (switch mode) power amplifiers-–carrier distortion-–is analyzed and an optimization method is proposed. This mechanism is an issue in any power amplifier application where a high degree of proportionality between input...... and output is required, such as in audio power amplifiers or xDSL drivers. From an average-mode point of view, carrier distortion is shown to be caused by nonlinear variation of the hysteretic comparator input average voltage with the output average voltage. This easily causes total harmonic distortion...... figures in excess of 0.1–0.2%, inadequate for high-quality audio applications. Carrier distortion is shown to be minimized when the feedback system is designed to provide a triangular carrier (sliding) signal at the input of a hysteretic comparator. The proposed optimization method is experimentally...

Improvement of vector compensation method for vehicle magnetic distortion field

Energy Technology Data Exchange (ETDEWEB)

Pang, Hongfeng, E-mail: panghongfeng@126.com; Zhang, Qi; Li, Ji; Luo, Shitu; Chen, Dixiang; Pan, Mengchun; Luo, Feilu

2014-03-15

Magnetic distortions such as eddy-current field and low frequency magnetic field have not been considered in vector compensation methods. A new compensation method is proposed to suppress these magnetic distortions and improve compensation performance, in which the magnetic distortions related to measurement vectors and time are considered. The experimental system mainly consists of a three-axis fluxgate magnetometer (DM-050), an underwater vehicle and a proton magnetometer, in which the scalar value of magnetic field is obtained with the proton magnetometer and considered to be the true value. Comparing with traditional compensation methods, experimental results show that the magnetic distortions can be further reduced by two times. After compensation, error intensity and RMS error are reduced from 11684.013 nT and 7794.604 nT to 16.219 nT and 5.907 nT respectively. It suggests an effective way to improve the compensation performance of magnetic distortions. - Highlights: • A new vector compensation method is proposed for vehicle magnetic distortion. • The proposed model not only includes magnetometer error but also considers magnetic distortion. • Compensation parameters are computed directly by solving nonlinear equations. • Compared with traditional methods, the proposed method is not related with rotation angle rate. • Error intensity and RMS error can be reduced to 1/2 of the error with traditional methods.

Improvement of vector compensation method for vehicle magnetic distortion field

International Nuclear Information System (INIS)

Pang, Hongfeng; Zhang, Qi; Li, Ji; Luo, Shitu; Chen, Dixiang; Pan, Mengchun; Luo, Feilu

2014-01-01

Magnetic distortions such as eddy-current field and low frequency magnetic field have not been considered in vector compensation methods. A new compensation method is proposed to suppress these magnetic distortions and improve compensation performance, in which the magnetic distortions related to measurement vectors and time are considered. The experimental system mainly consists of a three-axis fluxgate magnetometer (DM-050), an underwater vehicle and a proton magnetometer, in which the scalar value of magnetic field is obtained with the proton magnetometer and considered to be the true value. Comparing with traditional compensation methods, experimental results show that the magnetic distortions can be further reduced by two times. After compensation, error intensity and RMS error are reduced from 11684.013 nT and 7794.604 nT to 16.219 nT and 5.907 nT respectively. It suggests an effective way to improve the compensation performance of magnetic distortions. - Highlights: • A new vector compensation method is proposed for vehicle magnetic distortion. • The proposed model not only includes magnetometer error but also considers magnetic distortion. • Compensation parameters are computed directly by solving nonlinear equations. • Compared with traditional methods, the proposed method is not related with rotation angle rate. • Error intensity and RMS error can be reduced to 1/2 of the error with traditional methods

Gamow-Teller strength distribution in the beta-decay of 100Ag from total-absorption gamma spectrometry

International Nuclear Information System (INIS)

Batist, L.; Bykov, A.; Moroz, F.; Wittmann, V.; Alkhazov, G.D.; Keller, H.; Kirchner, R.; Klepper, O.; Roeckl, E.; Huyse, M.; Duppen, P. van; Reusen, G.; Plochocki, A.; Pfuetzner, M.; Rykaczewski, K.; Szerypo, J.; Zylicz, J.; Brown, B.A.

1994-10-01

The EC/β + -decay of the odd-odd nucleus 100 Ag was studied by means of total absorption γ-ray spectrometry. Most of the Gamow-Teller strength was found to be concentrated at an excitation energy of 5.6 MeV in 100 Pd, the FWHM of this resonance being 1.5 MeV. The measured strength distribution which is interpreted within the BCS approximation as being due to the dominant population of four-quasiparticle excitations, resembles the distribution predicted by an advanced shell-model calculation for the 98 Ag→ 98 Cd decay. (orig.)

Convergence of the Distorted Wave Born series

International Nuclear Information System (INIS)

MacMillan, D.S.

1981-01-01

The aim of this thesis is to begin to understand the idea of reaction mechanisms in nonrelativistic scattering systems. If we have a complete reaction theory of a particular scattering system, then we claim that the theory itself must contain information about important reaction mechanisms in the system. This information can be used to decide what reaction mechanisms should be included in an approximate calculation. To investigate this claim, we studied several solvable models. The primary concept employed in studying our models is the convergence of the multistep series generated by iterating the corresponding scattering integral equation. We known that the eigenvalues of the kernel of the Lippmann-Schwinger equation for potential scattering determine the rate of convergence of the Born series. The Born series will converge only if these eigenvalues all life within the unit circle. We extend these results to a study of the distorted wave Born series for inelastic scattering. The convergence criterion tells us when approximations are valid. We learn how the convergence of the distorted wave series depends upon energy, coupling constants, angular momentum, and angular momentum transfer. In one of our models, we look at several possible distorting potentials to see which one gives the best convergence. We have also applied our results to several actual DWBA or coupled channel calculations in the literature. In addition to the study of models of two-body scattering systems, we have considered the case of rearrangement scattering. We have discussed the formulation of (N greater than or equal to 3)-body distorted wave equations in which the interior dynamics have been redistributed by introducing compact N-body distortion potentials

Forensic image analysis - CCTV distortion and artefacts.

Science.gov (United States)

Seckiner, Dilan; Mallett, Xanthé; Roux, Claude; Meuwly, Didier; Maynard, Philip

2018-04-01

As a result of the worldwide deployment of surveillance cameras, authorities have gained a powerful tool that captures footage of activities of people in public areas. Surveillance cameras allow continuous monitoring of the area and allow footage to be obtained for later use, if a criminal or other act of interest occurs. Following this, a forensic practitioner, or expert witness can be required to analyse the footage of the Person of Interest. The examination ultimately aims at evaluating the strength of evidence at source and activity levels. In this paper, both source and activity levels are inferred from the trace, obtained in the form of CCTV footage. The source level alludes to features observed within the anatomy and gait of an individual, whilst the activity level relates to activity undertaken by the individual within the footage. The strength of evidence depends on the value of the information recorded, where the activity level is robust, yet source level requires further development. It is therefore suggested that the camera and the associated distortions should be assessed first and foremost and, where possible, quantified, to determine the level of each type of distortion present within the footage. A review of the 'forensic image analysis' review is presented here. It will outline the image distortion types and detail the limitations of differing surveillance camera systems. The aim is to highlight various types of distortion present particularly from surveillance footage, as well as address gaps in current literature in relation to assessment of CCTV distortions in tandem with gait analysis. Future work will consider the anatomical assessment from surveillance footage. Copyright © 2018 Elsevier B.V. All rights reserved.

Helical Peierls distortion: Formation of helices of polyketone and polyisocyanide

Science.gov (United States)

Cui, Chang-Xing; Kertesz, Miklos

1990-06-01

A new type of Peierls-like distortion, the formation of a helix due to the existence of partially filled crossing bands, is reported for polyketone and polyisocyanide. The torsional potential curves, optimized geometries, band structures and phonon dispersion curves are derived. A comparison with the well-known Peierls-distorted all-trans polyacetylene indicates close similarity between the two types of Peierls distortions.

Numerical simulation of hot-pressed veneer products: Forming - Spring back – Distortion

DEFF Research Database (Denmark)

Ormarsson, Sigurdur; Sandberg, Dick

2007-01-01

Customers demand very high quality of veneered furniture products with regard to surface appearance, shape stability and stiffness. To meet these requirements, it is important to improve the manufacturing process by a better understanding of the thermo-hygro-mechanical behaviour of the individual...... veneers. During the manufacture of strongly curved products, the veneers are exposed to large membrane and bending deformations and to high pressure in the radial fibre direction. When hot-press forming is used, the veneers are also exposed to a high surface temperature during the pressing time (curing...... time). These severe conditions can result in plastic deformation perpendicular to the veneer surface as well as mechano-sorptive strains in the curved regions, since the heating can have a significant influence on the moisture distribution. How strong an influence these factors have on the distortion...

Characterization of tissue magnetic susceptibility-induced distortions for MRIgRT

International Nuclear Information System (INIS)

Stanescu, T.; Wachowicz, K.; Jaffray, D. A.

2012-01-01

Purpose: MR image geometric integrity is one of the building blocks of MRI-guided radiotherapy. In particular, tissue magnetic susceptibility-induced effects are patient-dependent and their behavior is difficult to assess and predict. In this study, the authors investigated in detail the characteristics of susceptibility (χ) distortions in the context of MRIgRT, including the case of two common MR-linac system configurations. Methods: The magnetic field distortions were numerically simulated for several imaging parameters and anatomical sites, i.e., brain, lung, pelvis (with air pockets), and prostate. The simulation process consisted of (a) segmentation of patient CT data into susceptibility relevant anatomical volumes (i.e., soft-tissue, bone and air/lung), (b) conversion of CT data into susceptibility masks by assigning bulk χ values to the structures defined at (a), (c) numerical computations of the local magnetic fields by using a finite difference algorithm, and (d) generation of the geometric distortion maps from the magnetic field distributions. For each patient anatomy, the distortions were quantified at the interfaces of anatomical structures with significantly different χ values. The analysis was performed for two specific orientations of the external main magnetic field (B 0 ) characteristic to the MR-linac systems, specifically along the z-axis for a bore MR scanner and in the (x,y)-plane for a biplanner magnet. The magnetic field local perturbations were reported in ppm. The metrics used to quantify the geometric distortions were the maximum, mean, and range of distortions. The numerical simulation algorithm was validated using phantom data measurements. Results: Susceptibility-induced distortions were determined for both quadratic and patient specific geometries. The numerical simulations showed a good agreement with the experimental data. The measurements were acquired at 1.5 and 3 T and with an encoding gradient varying between 3 and 20 mT/m by

Characterization of tissue magnetic susceptibility-induced distortions for MRIgRT.

Science.gov (United States)

Stanescu, T; Wachowicz, K; Jaffray, D A

2012-12-01

MR image geometric integrity is one of the building blocks of MRI-guided radiotherapy. In particular, tissue magnetic susceptibility-induced effects are patient-dependent and their behavior is difficult to assess and predict. In this study, the authors investigated in detail the characteristics of susceptibility (χ) distortions in the context of MRIgRT, including the case of two common MR-linac system configurations. The magnetic field distortions were numerically simulated for several imaging parameters and anatomical sites, i.e., brain, lung, pelvis (with air pockets), and prostate. The simulation process consisted of (a) segmentation of patient CT data into susceptibility relevant anatomical volumes (i.e., soft-tissue, bone and air∕lung), (b) conversion of CT data into susceptibility masks by assigning bulk χ values to the structures defined at (a), (c) numerical computations of the local magnetic fields by using a finite difference algorithm, and (d) generation of the geometric distortion maps from the magnetic field distributions. For each patient anatomy, the distortions were quantified at the interfaces of anatomical structures with significantly different χ values. The analysis was performed for two specific orientations of the external main magnetic field (B(0)) characteristic to the MR-linac systems, specifically along the z-axis for a bore MR scanner and in the (x,y)-plane for a biplanner magnet. The magnetic field local perturbations were reported in ppm. The metrics used to quantify the geometric distortions were the maximum, mean, and range of distortions. The numerical simulation algorithm was validated using phantom data measurements. Susceptibility-induced distortions were determined for both quadratic and patient specific geometries. The numerical simulations showed a good agreement with the experimental data. The measurements were acquired at 1.5 and 3 T and with an encoding gradient varying between 3 and 20 mT∕m by using an annular

Analysis of the workload of bank tellers of a Brazilian public institution.

Science.gov (United States)

Serikawa, Simoni S; Albieri, Ana Carolina S; Bonugli, Gustavo P; Greghi, Marina F

2012-01-01

During the last decades there have been many changes in the banking sector organization. It has been also observed the mutual growing of musculoskeletal and mental disorders. This study investigated the workload of bank tellers at a Brazilian public institution. It was performed the Ergonomic Work Analysis (EWA). Three employees participated in this study. During the analysis process, three research instruments were applied: Inventory of Work and Risk of Illness, Yoshitake Fatigue Questionnaire and Nordic Musculoskeletal Questionnaire, beyond the realization of footage recordings and the self-confrontation. The results indicated the existence of an excess of workload on the evaluated workstations, mainly in relation to mental order constraints, that overlaps the physical aspects. Thereby it was found that the employees tend to adopt strategies trying to reduce the impacts of the excess of workload, in order to regulate it.

Role of momentum transfer in the quenching of the Gamow-Teller strength

International Nuclear Information System (INIS)

Marketin, T.; Martínez-Pinedo, G.; Paar, N.; Vretenar, D.

2012-01-01

A recent analysis of (p,n) and (n,p) reaction data from 90 Zr was performed recently, where a significant amount of Gamow-Teller strength was found above the resonance, an energy region previously unreachable by experimental setups. The extracted strengths in the β − and the β + channel indicate that approximately 10% of the total strength necessary to satisfy the model independent Ikeda sum rule is missing. One possible source of this discrepancy is the treatment of the isovector spin monopole (IVSM) mode of excitation which has been found to occurr at high excitation energies. Employing the relativistic Hartree-Bogoliubov (RHB) model and the protonneutron relativistic quasiparticle random phase approximation (pn-RQRPA) to calculate the nuclear response, we explore the contribution of the IVSM mode to the total L= 0 strength and apply our results to the available data.

Role of momentum transfer in the quenching of the Gamow-Teller strength

Energy Technology Data Exchange (ETDEWEB)

Marketin, T.; Martinez-Pinedo, G.; Paar, N.; Vretenar, D. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, D-64289 Darmstadt, Germany and Physics Department, Faculty of Science, University of Zagreb, 10000 Zagreb (Croatia); Institut fuer Kernphysik, Technische Universitaet Darmstadt, D-64289 Darmstadt (Germany); Physics Department, Faculty of Science, University of Zagreb, 10000 Zagreb (Croatia)

2012-10-20

A recent analysis of (p,n) and (n,p) reaction data from {sup 90}Zr was performed recently, where a significant amount of Gamow-Teller strength was found above the resonance, an energy region previously unreachable by experimental setups. The extracted strengths in the {beta}{sub -} and the {beta}{sub +} channel indicate that approximately 10% of the total strength necessary to satisfy the model independent Ikeda sum rule is missing. One possible source of this discrepancy is the treatment of the isovector spin monopole (IVSM) mode of excitation which has been found to occurr at high excitation energies. Employing the relativistic Hartree-Bogoliubov (RHB) model and the protonneutron relativistic quasiparticle random phase approximation (pn-RQRPA) to calculate the nuclear response, we explore the contribution of the IVSM mode to the total L= 0 strength and apply our results to the available data.

Shape distortion and dimensional precision in tungsten heavy alloy liquid phase sintering

International Nuclear Information System (INIS)

Wuwen Yi; German, R.M.; Lu, P.K.

2001-01-01

Microstructure effects on densification and shape distortion in liquid phase sintering of tungsten heavy alloy were investigated. Microstructure parameters such as the solid volume fraction, dihedral angle, initial porosity, and pore size were varied to measure densification and distortion behavior during LPS using W-Ni-Cu alloys. Green compacts were formed using ethylene-bis-stearamide as a pore-forming agent with the amount of polymer controlling the initial porosity. Different initial pore sizes were generated by varying the polymer particle size. Dihedral angle was varied by changing the Ni:Cu ratio in the alloys. Finally, the solid volume fraction was adjusted via the tungsten content. Distortion was quantified using profiles determined with a coordinate measuring machine to calculate a distortion parameter. Sintering results showed that solid volume fraction and dihedral angle are the dominant factors on densification and distortion during liquid phase sintering. Distortion decreases with increasing solid volume fraction and dihedral angle, while initial porosity and pore size have no observable effect on distortion at nearly full densification. Various strategies emerge to improve distortion control in liquid phase sintering. (author)

Distorted representation in visual tourism research

DEFF Research Database (Denmark)

Jensen, Martin Trandberg

2016-01-01

how photographic materialities, performativities and sensations contribute to new tourism knowledges. While highlighting the potential of distorted representation, the paper posits a cautionary note in regards to the influential role of academic journals in determining the qualities of visual data....... The paper exemplifies distorted representation through three impressionistic tales derived from ethnographic research on the European rail travel phenomenon: interrail.......Tourism research has recently been informed by non-representational theories to highlight the socio-material, embodied and heterogeneous composition of tourist experiences. These advances have contributed to further reflexivity and called for novel ways to animate representations...

Operation of static series compensator under distorted utility conditions

DEFF Research Database (Denmark)

Awad, H.; Nelsen, H.; Blaabjerg, Frede

2005-01-01

in the case of distorted grid voltage. Furthermore, a selective harmonic compensation strategy is applied to filter out the grid harmonics. The operation of the SSC under distorted utility conditions and voltage dips is discussed. The validity of the proposed controller is verified by experiments, carried out...... on a 10-kV SSC laboratory setup. Experimental results have shown the ability of the SSC to mitigate voltage dips and harmonics. It is also shown that the proposed controller has improved the transient performance of the SSC even under distorted utility conditions....

Distorted Risk Measures with Application to Military Capability Shortfalls

Science.gov (United States)

2005-12-15

effects of different distortions and to make basic recommendations regarding the appropriateness of certain distortion functions and parameters using...and increased limits ratemaking by proportional hazards transforms. Insurance: Mathematics and Economics, 17: 43-54. [9] Wang, S. (1996a). Premium

An Exploratory Study of the Critical Factors Affecting the Acceptability of Automated Teller Machine (ATM in Nigeria

Directory of Open Access Journals (Sweden)

Olusegun Folorunso

2010-01-01

Full Text Available This paper uses the Technology Acceptance Model (TAM as a basis for studying critical factors that affects the acceptability of Automated Teller Machine (ATM in Nigeria. Questionnaire approach was used with the respondents predominantly between 20-29 years old. Factor analysis was used to test which of the factors are the main factors affecting the adoption of the technology in Nigeria. It was discovered that the major factors affecting people’s intention to accept ATM are the security issues and poor internet connectivity.

Audible Aliasing Distortion in Digital Audio Synthesis

Directory of Open Access Journals (Sweden)

J. Schimmel

2012-04-01

Full Text Available This paper deals with aliasing distortion in digital audio signal synthesis of classic periodic waveforms with infinite Fourier series, for electronic musical instruments. When these waveforms are generated in the digital domain then the aliasing appears due to its unlimited bandwidth. There are several techniques for the synthesis of these signals that have been designed to avoid or reduce the aliasing distortion. However, these techniques have high computing demands. One can say that today's computers have enough computing power to use these methods. However, we have to realize that today’s computer-aided music production requires tens of multi-timbre voices generated simultaneously by software synthesizers and the most of the computing power must be reserved for hard-disc recording subsystem and real-time audio processing of many audio channels with a lot of audio effects. Trivially generated classic analog synthesizer waveforms are therefore still effective for sound synthesis. We cannot avoid the aliasing distortion but spectral components produced by the aliasing can be masked with harmonic components and thus made inaudible if sufficient oversampling ratio is used. This paper deals with the assessment of audible aliasing distortion with the help of a psychoacoustic model of simultaneous masking and compares the computing demands of trivial generation using oversampling with those of other methods.

Two dimensional spatial distortion correction algorithm for scintillation GAMMA cameras

International Nuclear Information System (INIS)

Chaney, R.; Gray, E.; Jih, F.; King, S.E.; Lim, C.B.

1985-01-01

Spatial distortion in an Anger gamma camera originates fundamentally from the discrete nature of scintillation light sampling with an array of PMT's. Historically digital distortion correction started with the method based on the distortion measurement by using 1-D slit pattern and the subsequent on-line bi-linear approximation with 64 x 64 look-up tables for X and Y. However, the X, Y distortions are inherently two-dimensional in nature, and thus the validity of this 1-D calibration method becomes questionable with the increasing distortion amplitude in association with the effort to get better spatial and energy resolutions. The authors have developed a new accurate 2-D correction algorithm. This method involves the steps of; data collection from 2-D orthogonal hole pattern, 2-D distortion vector measurement, 2-D Lagrangian polynomial interpolation, and transformation to X, Y ADC frame. The impact of numerical precision used in correction and the accuracy of bilinear approximation with varying look-up table size have been carefully examined through computer simulation by using measured single PMT light response function together with Anger positioning logic. Also the accuracy level of different order Lagrangian polynomial interpolations for correction table expansion from hole centroids were investigated. Detailed algorithm and computer simulation are presented along with camera test results

Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra

Energy Technology Data Exchange (ETDEWEB)

Keates, Adam C. [School of Chemistry, University of Southampton, Southampton, Hampshire SO17 1B,. UK (United Kingdom); Wang, Qianlong [Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY (United Kingdom); Weller, Mark T., E-mail: m.t.weller@bath.ac.uk [Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY (United Kingdom)

2014-02-15

Single crystal and bulk polycrystalline forms of K{sub 2}MP{sub 2}O{sub 7} (M=Fe(II), Cu(II)) have been synthesised and their structures determined from single crystal X-ray diffraction data. Both compounds crystallize in the tetragonal system, space group P-42{sub 1}m. Their structures are formed from infinite sheets of linked oxopolyhedra of the stoichiometry [MP{sub 2}O{sub 7}]{sup 2−} with potassium cations situated between the layers. The MO{sub 4} tetrahedra share oxygen atoms with [P{sub 2}O{sub 7}]{sup 4−} diphosphate groups and the potassium ions have KO{sub 8} square prismatic geometry. In both compounds the M(II) centre has an unusual strongly flattened, tetrahedral coordination to oxygen, as a result of the Jahn–Teller (JT) effect for the high spin d{sup 6} Fe(II) and p-orbital mixing or a second order JT effect for d{sup 9} Cu(II) centres in four fold coordination. The uncommon transition metal ion environments found in these materials are reflected in their optical absorption spectra and magnetism data. - Graphical abstract: The structures of the tetragonal polymorphs of K{sub 2}MP{sub 2}O{sub 7}, M=Cu(II), Fe(II), consist of infinite sheets of stoichiometry [MP{sub 2}O{sub 7}]{sup 2−}, formed from linked pyrophosphate groups and MO{sub 4} tetrahedra, separated by potassium ions. In both compounds the unusual tetrahedral coordination of the M(II) centre is strongly flattened as a result of Jahn–Teller (JT) effects for high spin, d{sup 6} Fe(II) and p-orbital mixing and second-order JT effects for d{sup 9} Cu(II). Display Omitted - Highlights: • Tetrahedral copper and iron(II) coordinated by oxygen. • New layered phosphate structure. • Jahn–Teller and d{sup 10} distorted coordinations.

Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra

International Nuclear Information System (INIS)

Keates, Adam C.; Wang, Qianlong; Weller, Mark T.

2014-01-01

Single crystal and bulk polycrystalline forms of K 2 MP 2 O 7 (M=Fe(II), Cu(II)) have been synthesised and their structures determined from single crystal X-ray diffraction data. Both compounds crystallize in the tetragonal system, space group P-42 1 m. Their structures are formed from infinite sheets of linked oxopolyhedra of the stoichiometry [MP 2 O 7 ] 2− with potassium cations situated between the layers. The MO 4 tetrahedra share oxygen atoms with [P 2 O 7 ] 4− diphosphate groups and the potassium ions have KO 8 square prismatic geometry. In both compounds the M(II) centre has an unusual strongly flattened, tetrahedral coordination to oxygen, as a result of the Jahn–Teller (JT) effect for the high spin d 6 Fe(II) and p-orbital mixing or a second order JT effect for d 9 Cu(II) centres in four fold coordination. The uncommon transition metal ion environments found in these materials are reflected in their optical absorption spectra and magnetism data. - Graphical abstract: The structures of the tetragonal polymorphs of K 2 MP 2 O 7 , M=Cu(II), Fe(II), consist of infinite sheets of stoichiometry [MP 2 O 7 ] 2− , formed from linked pyrophosphate groups and MO 4 tetrahedra, separated by potassium ions. In both compounds the unusual tetrahedral coordination of the M(II) centre is strongly flattened as a result of Jahn–Teller (JT) effects for high spin, d 6 Fe(II) and p-orbital mixing and second-order JT effects for d 9 Cu(II). Display Omitted - Highlights: • Tetrahedral copper and iron(II) coordinated by oxygen. • New layered phosphate structure. • Jahn–Teller and d 10 distorted coordinations

A method to correct coordinate distortion in EBSD maps

International Nuclear Information System (INIS)

Zhang, Y.B.; Elbrønd, A.; Lin, F.X.

2014-01-01

Drift during electron backscatter diffraction mapping leads to coordinate distortions in resulting orientation maps, which affects, in some cases significantly, the accuracy of analysis. A method, thin plate spline, is introduced and tested to correct such coordinate distortions in the maps after the electron backscatter diffraction measurements. The accuracy of the correction as well as theoretical and practical aspects of using the thin plate spline method is discussed in detail. By comparing with other correction methods, it is shown that the thin plate spline method is most efficient to correct different local distortions in the electron backscatter diffraction maps. - Highlights: • A new method is suggested to correct nonlinear spatial distortion in EBSD maps. • The method corrects EBSD maps more precisely than presently available methods. • Errors less than 1–2 pixels are typically obtained. • Direct quantitative analysis of dynamic data are available after this correction

Motivational Distortion on 16 PF Primaries by Male Felons.

Science.gov (United States)

Wallbrown, Fred H.; And Others

1989-01-01

Investigated motivational distortion using the 16 Personality Factor Questionnaire (16 PF) for male (n=331) criminal offenders. Results indicated that ego-strength, free-floating anxiety, ability to bind anxiety, boldness, dominance, emotional sensitivity and suspiciousness contributed most to the motivational distortion scale predictions.…

Controlling the Orbital Sequence in Individual Cu-Phthalocyanine Molecules

NARCIS (Netherlands)

Uhlmann, C.; Swart, I.; Repp, J.

2013-01-01

We report on the controlled change of the energetic ordering of molecular orbitals. Negatively charged copper(II)phthalocyanine on NaCl/Cu(100) undergoes a Jahn–Teller distortion that lifts the degeneracy of two frontier orbitals. The energetic order of the levels can be controlled by Au and Ag

IMPACT OF NEW GAMOW–TELLER STRENGTHS ON EXPLOSIVE TYPE IA SUPERNOVA NUCLEOSYNTHESIS

Energy Technology Data Exchange (ETDEWEB)

Mori, Kanji; Famiano, Michael A.; Kajino, Toshitaka; Suzuki, Toshio [National Astronomical Observatory of Japan 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Hidaka, Jun [Mechanical Engineering Department, Meisei University, 2-1-1 Hodokubo, Hino, Tokyo 191-8506 (Japan); Honma, Michio [Center for Mathematical Sciences, University of Aizu, Aizu-Wakamatsu, Fukushima 965-8580 (Japan); Iwamoto, Koichi [Department of Physics, College of Science and Technology, Nihon University, Tokyo 101-8308 (Japan); Nomoto, Ken’ichi [Kavli Institute for the Physics and Mathematics of the Universe (WPI), The University of Tokyo, Kashiwa, Chiba 277-8583 (Japan); Otsuka, Takaharu, E-mail: kanji.mori@nao.ac.jp, E-mail: kajino@nao.ac.jp, E-mail: michael.famiano@wmich.edu, E-mail: suzuki@phys.chs.nihon-u.ac.jp, E-mail: jun.hidaka@meisei-u.ac.jp, E-mail: m-honma@u-aizu.ac.jp, E-mail: iwamoto@phys.cst.nihon-u.ac.jp, E-mail: nomoto@astron.s.u-tokyo.ac.jp, E-mail: otsuka@phys.s.u-tokyo.ac.jp [Department of Physics, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

2016-12-20

Recent experimental results have confirmed a possible reduction in the Gamow–Teller (GT{sub +}) strengths of pf-shell nuclei. These proton-rich nuclei are of relevance in the deflagration and explosive burning phases of SNe Ia. While prior GT strengths result in nucleosynthesis predictions with a lower-than-expected electron fraction, a reduction in the GT{sub +} strength can result in a slightly increased electron fraction compared to previous shell model predictions, though the enhancement is not as large as previous enhancements in going from rates computed by Fuller, Fowler, and Newman based on an independent particle model. A shell model parametrization has been developed that more closely matches experimental GT strengths. The resultant electron-capture rates are used in nucleosynthesis calculations for carbon deflagration and explosion phases of SNe Ia, and the final mass fractions are compared to those obtained using more commonly used rates.

Electromagnetic dipole and Gamow-Teller responses of even and odd {sup 90-94}{sub 40}Zr isotopes in QRPA calculations with the D1M Gogny force

Energy Technology Data Exchange (ETDEWEB)

Deloncle, I. [CSNSM, CNRS et Universite Paris-Sud, Orsay (France); CEA, DAM, DIF, Arpajon (France); Peru, S. [CEA, DAM, DIF, Arpajon (France); Martini, M. [ESNT, CEA-Saclay, DSM, Irfu, Service de Physique Nucleaire, Gif-sur-Yvette (France)

2017-08-15

In this paper we present theoretical results on the dipole response in the proton spin-saturated {sup 90-94}Zr isotopes. The electric and magnetic dipole excitations are obtained in Hartree-Fock-Bogolyubov plus Quasi-particle Random Phase Approximation (QRPA) calculations performed with the D1M Gogny force. A pnQRPA charge exchange code is used to study the Gamow-Teller response. The results on the pygmy, the giant dipole resonances as well as those on the magnetic nuclear spin-flip excitation and the Gamow-Teller transitions are compared with available experimental or theoretical information. In our approach, the proton pairing plays a role in the phonon excitations, in particular in the M1 nuclear spin-flip resonance. (orig.)

Correcting the Chromatic Aberration in Barrel Distortion of Endoscopic Images

Directory of Open Access Journals (Sweden)

Y. M. Harry Ng

2003-04-01

Full Text Available Modern endoscopes offer physicians a wide-angle field of view (FOV for minimally invasive therapies. However, the high level of barrel distortion may prevent accurate perception of image. Fortunately, this kind of distortion may be corrected by digital image processing. In this paper we investigate the chromatic aberrations in the barrel distortion of endoscopic images. In the past, chromatic aberration in endoscopes is corrected by achromatic lenses or active lens control. In contrast, we take a computational approach by modifying the concept of image warping and the existing barrel distortion correction algorithm to tackle the chromatic aberration problem. In addition, an error function for the determination of the level of centroid coincidence is proposed. Simulation and experimental results confirm the effectiveness of our method.

Mode distortion measurements on the Jefferson lab IR FEL

CERN Document Server

Benson, S V; Shinn, M

2002-01-01

We have previously reported on the analytical calculations of mirror distortion in a high-power FEL with a near-concentric cavity. This analysis allowed us to estimate the power level at which the FEL interaction would be affected, though no exact theory of FEL power vs. distortion exists at this point. Recently we have directly measured the mode size and beam quality as a function of power using a resonator with a center wavelength of 5 mu m. The resonator mirrors were calcium fluoride. This particular material exhibits a large amount of distortion for a given power but, due to the negative slope of refractive index vs. temperature, adds almost no optical phase distortion on the laser output. The mode in the cavity can thus be directly calculated from the measurements at the resonator output. The presence of angular jitter produced raw measurements inconsistent with cold cavity expectations. Removing the effects of the angular jitter, we derive results in agreement with cold cavity measurements. The result i...

Factors associated with body image distortion in Korean adolescents

Directory of Open Access Journals (Sweden)

Hyun MY

2014-05-01

Full Text Available Mi-Yeul Hyun,1 Young-Eun Jung,2 Moon-Doo Kim,2 Young-Sook Kwak,2 Sung-Chul Hong,3 Won-Myong Bahk,4 Bo-Hyun Yoon,5 Hye Won Yoon,6 Bora Yoo61College of Nursing, Jeju National University, Jeju, Korea; 2Department of Psychiatry, School of Medicine, Jeju National University, Jeju, Korea; 3Department of Preventive Medicine, School of Medicine, Jeju National University, Jeju, Korea; 4Department of Psychiatry, Yeouido St Mary’s Hospital, College of Medicine, The Catholic University of Korea, Seoul, Korea; 5Department of Psychiatry, Naju National Hospital, Naju, Korea; 6School of Medicine, Jeju National University, Jeju, KoreaPurpose: Body image incorporates cognitive and affective components as well as behaviors related to own body perception. This study evaluated the occurrence of body image distortion and its correlates in Korean adolescents.Methods: In a school-based cross-sectional survey, a total of 2,117 adolescents were recruited. They filled out self-completing questionnaires on body image distortion, eating attitudes, and behaviors (Eating Attitude Test-26 and related factors.Results: Body image distortions were found in 51.8 percent of adolescents. Univariate analyses showed that boys and older adolescents had higher rates of body image distortion. In the multivariate analyses, body image distortion was associated with high risk for eating disorders (odds ratio [OR] =1.69; 95% confidence interval [CI] 1.11–2.58; P=0.015 and being over weight (OR =33.27; 95% CI 15.51–71.35; P<0.001 or obese (OR =9.37; 95% CI 5.06–17.34; P<0.001.Conclusion: These results suggest that body image distortion is relatively common in Korean adolescents, which has implications for adolescents at risk of developing eating disorders.Keywords: body image distortion, high risk for eating disorders, Korean adolescent

Mobile Watermarking against Geometrical Distortions

Directory of Open Access Journals (Sweden)

Jing Zhang

2015-08-01

Full Text Available Mobile watermarking robust to geometrical distortions is still a great challenge. In mobile watermarking, efficient computation is necessary because mobile devices have very limited resources due to power consumption. In this paper, we propose a low-complexity geometrically resilient watermarking approach based on the optimal tradeoff circular harmonic function (OTCHF correlation filter and the minimum average correlation energy Mellin radial harmonic (MACE-MRH correlation filter. By the rotation, translation and scale tolerance properties of the two kinds of filter, the proposed watermark detector can be robust to geometrical attacks. The embedded watermark is weighted by a perceptual mask which matches very well with the properties of the human visual system. Before correlation, a whitening process is utilized to improve watermark detection reliability. Experimental results demonstrate that the proposed watermarking approach is computationally efficient and robust to geometrical distortions.

Pump-induced optical distortions in disk amplifier modules: holographic and interferometric measurements

International Nuclear Information System (INIS)

Linford, G.J.; Chau, H.H.; Glaze, J.A.; Layne, C.B.; Rainer, F.

1975-01-01

Interferometric measurements have been made of the optical distortions induced in laser disk amplifiers during the flashlamp pumping pulse. Both conventional interferometric methods and the techniques of double exposure holographic interferometry were used to identify four major sources of pump-induced optical distortions: subsonic intrusion of hot gas (traced to leakage of atmospheric oxygen into the amplifier), microexplosions of dust particles, thermally induced optical distortions in the glass disks, and gaseous optical distortion effects caused by turbulent flow of the purging nitrogen gas supply used within the laser amplifier head. Methods for reducing or eliminating the effects of each of these optical distortions are described

Distortion of gravitational-wave packets due to their self-gravity

International Nuclear Information System (INIS)

Kocsis, Bence; Loeb, Abraham

2007-01-01

When a source emits a gravity-wave (GW) pulse over a short period of time, the leading edge of the GW signal is redshifted more than the inner boundary of the pulse. The GW pulse is distorted by the gravitational effect of the self-energy residing in between these shells. We illustrate this distortion for GW pulses from the final plunge of black hole binaries, leading to the evolution of the GW profile as a function of the radial distance from the source. The distortion depends on the total GW energy released ε and the duration of the emission τ, scaled by the total binary mass M. The effect should be relevant in finite box simulations where the waveforms are extracted within a radius of 2 M. For characteristic emission parameters at the final plunge between binary black holes of arbitrary spins, this effect could distort the simulated GW templates for LIGO and LISA by a fraction of 10 -3 . Accounting for the wave distortion would significantly decrease the waveform extraction errors in numerical simulations

Electronic structure and local distortions in epitaxial ScGaN films

International Nuclear Information System (INIS)

Knoll, S M; Zhang, S; Rovezzi, M; Joyce, T B; Moram, M A

2014-01-01

High energy resolution fluorescence-detected x-ray absorption spectroscopy and density functional theory calculations were used to investigate the local bonding and electronic structure of Sc in epitaxial wurtzite-structure Sc x Ga 1−x N films with x ≤ 0.059. Sc atoms are found to substitute for Ga atoms, accompanied by a local distortion involving an increase in the internal lattice parameter u around the Sc atoms. The local bonding and electronic structure at Sc are not affected strongly by the strain state or the defect microstructure of the films. These data are consistent with theoretical predictions regarding the electronic structure of dilute Sc x Ga 1−x N alloys. (paper)

Cognitive distortions among older adult gamblers in an Asian context.

Directory of Open Access Journals (Sweden)

Mythily Subramaniam

Full Text Available The study aims to describe the construct of cognitive distortions based on the narratives of older adult gamblers (aged 60 years and above in Singapore.Singapore residents (citizens or permanent residents aged 60 years and above, who were current or past regular gamblers were included in the study. Participants were recruited using a combination of venue based approach, referrals from service providers as well as by snowball sampling. In all, 25 in-depth interviews were conducted with older adult gamblers. The six-step thematic network analysis methodology was adopted for data analysis.The mean age of the participants was 66.2 years. The majority were male (n = 18, of Chinese ethnicity (n = 16, with a mean age of gambling initiation at 24.5 years. Among older adult gamblers, cognitive distortions emerged as a significant global theme comprising three organizing themes-illusion of control, probability control and interpretive control. The organizing themes comprised nine basic themes: perception of gambling as a skill, near miss, concept of luck, superstitious beliefs, entrapment, gambler's fallacy, chasing wins, chasing losses, and beliefs that wins are more than losses.Cognitive distortions were endorsed by all gamblers in the current study and were shown to play a role in both maintaining and escalating the gambling behaviour. While the surface characteristics of the distortions had a culture-specific appearance, the deeper characteristics of the distortions may in fact be more universal than previously thought. Future research must include longitudinal studies to understand causal relationships between cognitive distortions and gambling as well as the role of culture-specific distortions both in the maintenance and treatment of the disorder.

Safe-by-Design CuO Nanoparticles via Fe-Doping, Cu-O Bond Length Variation, and Biological Assessment in Cells and Zebrafish Embryos.

Science.gov (United States)

Naatz, Hendrik; Lin, Sijie; Li, Ruibin; Jiang, Wen; Ji, Zhaoxia; Chang, Chong Hyun; Köser, Jan; Thöming, Jorg; Xia, Tian; Nel, Andre E; Mädler, Lutz; Pokhrel, Suman

2017-01-24

The safe implementation of nanotechnology requires nanomaterial hazard assessment in accordance with the material physicochemical properties that trigger the injury response at the nano/bio interface. Since CuO nanoparticles (NPs) are widely used industrially and their dissolution properties play a major role in hazard potential, we hypothesized that tighter bonding of Cu to Fe by particle doping could constitute a safer-by-design approach through decreased dissolution. Accordingly, we designed a combinatorial library in which CuO was doped with 1-10% Fe in a flame spray pyrolysis reactor. The morphology and structural properties were determined by XRD, BET, Raman spectroscopy, HRTEM, EFTEM, and EELS, which demonstrated a significant reduction in the apical Cu-O bond length while simultaneously increasing the planar bond length (Jahn-Teller distortion). Hazard screening was performed in tissue culture cell lines and zebrafish embryos to discern the change in the hazardous effects of doped vs nondoped particles. This demonstrated that with increased levels of doping there was a progressive decrease in cytotoxicity in BEAS-2B and THP-1 cells, as well as an incremental decrease in the rate of hatching interference in zebrafish embryos. The dissolution profiles were determined and the surface reactions taking place in Holtfreter's solution were validated using cyclic voltammetry measurements to demonstrate that the Cu + /Cu 2+ and Fe 2+ /Fe 3+ redox species play a major role in the dissolution process of pure and Fe-doped CuO. Altogether, a safe-by-design strategy was implemented for the toxic CuO particles via Fe doping and has been demonstrated for their safe use in the environment.

Synthesis, structure, and physicochemical investigations of the new α Cu 0.50TiO(PO 4) oxyphosphate

Science.gov (United States)

Benmokhtar, S.; Belmal, H.; El Jazouli, A.; Chaminade, J. P.; Gravereau, P.; Pechev, S.; Grenier, J. C.; Villeneuve, G.; de Waal, D.

2007-02-01

The room-temperature crystal structure of a new Cu(II) oxyphosphate— α Cu 0.50IITiO(PO 4)—was determined from X-ray single crystals diffraction data, in the monoclinic system, space group P2 1/c. The refinement from 5561 independent reflections lead to the following parameters: a=7.5612(4)Å, b=7.0919(4)Å, c=7.4874(4)Å, β=122.25(1)°, Z=4, with the final R=0.0198, wR=0.0510. The structure of α Cu 0.50IITiO(PO 4) can be described as a TiOPO 4 framework constituted by chains of tilted corner-sharing [TiO 6] octahedra running parallel to the c-axis and cross linked by phosphate [PO 4] tetrahedra, where one-half of octahedral cavities created are occupied by Cu atoms. Ti atoms are displaced from the center of octahedra units in alternating long (2.308 Å) and short (1.722 Å) Ti-O(1) bonds along chains. Such O(1) atoms not linked to P atoms justify the oxyphosphate formulation α Cu 0.50TiO(PO 4). The divalent cations Cu 2+ occupy a Jahn-Teller distorted octahedron sharing two faces with two [TiO 6] octahedra. EPR and optical measurements are in good agreement with structural data. The X-ray diffraction results are supported by Raman and infrared spectroscopy studies that confirmed the existence of the infinite chains -Ti-O-Ti-O-Ti-. α Cu 0.50TiO(PO 4) shows a Curie-Weiss paramagnetic behavior in the temperature range 4-80 K.

C_6_0"3"- versus C_6_0"4"- /C_6_0"2"- - synthesis and characterization of five salts containing discrete fullerene anions

International Nuclear Information System (INIS)

Boeddinghaus, M. Bele; Klein, Wilhelm; Wahl, Bernhard; Faessler, Thomas F.; Jakes, Peter; Eichel, Ruediger A.

2014-01-01

Five new compounds, [Rb(18crown-6)]_3[C_6_0] (1), [Rb(18crown-6)]_6[C_6_0]_2(C_3H_7NO)_2(C_4H_8O)_2 (2), [Rb(benzo18crown-6)]_6[C_6_0]_2(C_2H_8N_2)_5 (3), [Cs(benzo18crown-6)]_3C_6_0(C_2H_8N_2)_2 (4), and [Cs_3(benzo18crown-6)_5]C_6_0(C_2H_8N_2)_(_4_._5_+_x_) (5) were synthesized and characterized by single-crystal X-ray structure determination. All compounds contain discrete C_6_0 anions, which are ordered in 1, 2, and 4, where direct cation-anion contacts occur. The unit cells of 1 and 2 contain two independent fullerides, which coordinate to the rubidium atoms either of two or of four [Rb(18crown-6)] units. Owing to the presence of differently coordinated fullerene units in compounds 1 and 2, a possible disproportionation of C_6_0"3"- into C_6_0"2"- and C_6_0"4"- anions is discussed. In 3 and 4 the C_6_0 anions are coordinated by three Rb and Cs atoms, respectively. In all compounds the average charge of the anion is -3. Magnetic data reveal a doublet spin state for 3. The EPR spectra are discussed for compounds 3 and 5. The role of a dynamic Jahn-Teller distortion is discussed, and we report the first IR spectroscopic data of fullerene trianions, which have been obtained in solution. (Copyright copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

La{sub 0.7}Sr{sub 0.3}MnO{sub 3} thin films deposited by pulsed laser ablation for spintronic applications

Energy Technology Data Exchange (ETDEWEB)

Martino, Maurizio; Cesaria, Maura; Caricato, Anna Paola [Physics Department, University of Salento, Via Arnesano, 73100 Lecce (Italy); Maruccio, Giuseppe [Physics Department, University of Salento, Via Arnesano, 73100 Lecce (Italy); NNL CNR-Istituto di Nanoscienze, Via Arnesano, 73100 Lecce (Italy); Cola, Adriano; Farella, Isabella [Institute for Microelectronics and Microsystems, IMM-CNR, 73100 Lecce (Italy)

2011-08-15

Among spintronic materials, mixed-valence manganite La{sub 0.7}Sr{sub 0.3}MnO{sub 3} (LSMO) is widely investigated due to its half-metal nature. LSMO thin films were grown by pulsed laser deposition (PLD) onto amorphous silica substrates heated at nearly 600 C. An ArF excimer laser was chosen to induce ablation due to its more energetic photons compared to the other quoted excimer laser sources. Different oxygen pressures were considered in order to study the influence of oxygen on the LSMO optical and electrical properties. In this respect, the visible transparency percentage of the deposited films is found good enough for spin-OLED applications. The absorption coefficient shows an absorption band tunable as a function of the oxygen content. Its energetic location and evolution with the oxygen content demonstrate it originates from radiative transitions between the spin-majority bands separated by the Jahn-Teller distortion. All of this lets relate the deposition oxygen pressure to the Mn{sup 3+} ion content in each film and interpret electrical data. The 200 and 100 nm thick samples exhibit weak metallic transport behavior at room temperature with a resistivity of 4.8 and 6.9 {omega} cm, respectively. Concerning the resistivity response versus temperature, the measured low metal-insulator transition temperature (150 K) is related to the sample structural features as involved by the depositions. Two different transport mechanisms describe the conductivity regime of the deposited samples, namely the small polaron variable range hopping (VRH) and the Arrhenius law. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Perceptual distortion analysis of color image VQ-based coding

Science.gov (United States)

Charrier, Christophe; Knoblauch, Kenneth; Cherifi, Hocine

1997-04-01

It is generally accepted that a RGB color image can be easily encoded by using a gray-scale compression technique on each of the three color planes. Such an approach, however, fails to take into account correlations existing between color planes and perceptual factors. We evaluated several linear and non-linear color spaces, some introduced by the CIE, compressed with the vector quantization technique for minimum perceptual distortion. To study these distortions, we measured contrast and luminance of the video framebuffer, to precisely control color. We then obtained psychophysical judgements to measure how well these methods work to minimize perceptual distortion in a variety of color space.

Cognitive distortions as a component and treatment focus of pathological gambling: a review.

Science.gov (United States)

Fortune, Erica E; Goodie, Adam S

2012-06-01

The literature on the role of cognitive distortions in the understanding and treatment of pathological gambling (PG) is reviewed, with sections focusing on (a) conceptual underpinnings of cognitive distortions, (b) cognitive distortions related to PG, (c) PG therapies that target cognitive distortions, (d) methodological factors and outcome variations, and (e) conclusions and prescriptive recommendations. The conceptual background for distortions related to PG lies in the program of heuristics and biases (Kahneman & Tversky, 1974) as well as other errors identified in basic psychology. The literature has focused on distortions arising from the representativeness heuristic (gambler's fallacy, overconfidence, and trends in number picking), the availability heuristic (illusory correlation, other individuals' wins, and inherent memory bias), and other sources (the illusion of control and double switching). Some therapies have incorporated cognitive restructuring within broader cognitive-behavioral therapies, with success. Other therapies have focused more narrowly on correcting distorted beliefs, more often with limited success. It is concluded that the literature establishes the role of cognitive distortions in PG and suggests therapies with particularly good promise, but is in need of further enrichment.

Distortion of Probability and Outcome Information in Risky Decisions

Science.gov (United States)

DeKay, Michael L.; Patino-Echeverri, Dalia; Fischbeck, Paul S.

2009-01-01

Substantial evidence indicates that information is distorted during decision making, but very few studies have assessed the distortion of probability and outcome information in risky decisions. In two studies involving six binary decisions (e.g., banning blood donations from people who have visited England, because of "mad cow disease"),…

Audiovisual Cues and Perceptual Learning of Spectrally Distorted Speech

Science.gov (United States)

Pilling, Michael; Thomas, Sharon

2011-01-01

Two experiments investigate the effectiveness of audiovisual (AV) speech cues (cues derived from both seeing and hearing a talker speak) in facilitating perceptual learning of spectrally distorted speech. Speech was distorted through an eight channel noise-vocoder which shifted the spectral envelope of the speech signal to simulate the properties…

Distorted eikonal cross sections: A time-dependent view

International Nuclear Information System (INIS)

Turner, R.E.

1982-01-01

For Hamiltonians with two potentials, differential cross sections are written as time-correlation functions of reference and distorted transition operators. Distorted eikonal differential cross sections are defined in terms of straight-line and reference classical trajectories. Both elastic and inelastic results are obtained. Expressions for the inelastic cross sections are presented in terms of time-ordered cosine and sine memory functions through the use of the Zwanzig-Feshbach projection-operator method

Band Jahn-Teller effect on the density of states of the magnetic high-Tc superconductors: A model study

International Nuclear Information System (INIS)

Pradhan, B.; Mohanta, K.L.; Rout, G.C.

2012-01-01

We report here a mean-field study of competing antiferromagnetism, superconductivity and lattice strain phases and their effect on the local density of states of the cuprate system. Our model Hamiltonian incorporating these interactions is reported earlier [G.C. Rout et al., Physica C, 2007]. The analytic expression for superconducting, antiferromagnetism and lattice strain order parameters are calculated and solved self-consistently. The interplay of these order parameters is investigated considering the calculated density of states (DOSs) of the conduction electrons. The DOS displays multiple gap structures with multiple peaks. It is suggested that the tunneling conductance data obtained from the scanning tunneling microscopy (STM) measurements could be interpreted by using the quasi-particle bands calculated from our model Hamiltonian. We have discussed the mechanism to calculate the order parameters from the conductance data.

Lattice modes and the Jahn-Teller ferroelectric transition of GaV.sub.4./sub.S.sub.8./sub.

Czech Academy of Sciences Publication Activity Database

Hlinka, Jiří; Borodavka, Fedir; Rafalovskyi, Iegor; Dočekalová, Zuzana; Pokorný, Jan; Gregora, Ivan; Tsurkan, V.; Nakamura, H.; Mayr, F.; Kuntscher, C.A.; Loidl, A.; Bordács, S.; Szaller, D.; Lee, H.-J.; Lee, J.H.; Kézsmárki, I.

2016-01-01

Roč. 94, č. 6 (2016), 1-4, č. článku 060104. ISSN 2469-9950 R&D Projects: GA ČR GA13-15110S Institutional support: RVO:68378271 Keywords : augmented-wave method * crystals * phase Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016

Psychological Vulnerability and Problem Gambling: The Mediational Role of Cognitive Distortions.

Science.gov (United States)

Lévesque, David; Sévigny, Serge; Giroux, Isabelle; Jacques, Christian

2018-01-03

Despite numerous studies demonstrating the influence of cognitive distortions on gambling problem severity, empirical data regarding the role of psychological vulnerability on the latter is limited. Hence, this study assesses the mediating effect of cognitive distortions between psychological vulnerability (personality and mood), and gambling problem severity. It also verifies whether the relationships between these variables differs according to the preferred gambling activity. The sample is composed of 272 male gamblers [191 poker players; 81 video lottery terminal (VLT) players] aged between 18 and 82 years (M = 35.2). Bootstrap analysis results revealed that cognitive distortions mediate the effect of narcissism on gambling problem severity for both groups. The level of depression for VLT players significantly predicted gambling problem severity, both directly and indirectly via the mediating effect of cognitive distortions. Mediation analyses also indicated that narcissism had an indirect impact on problem gambling through cognitive distortions for both groups. These findings suggest that certain vulnerabilities related to personality and mood may influence cognitive distortion intensity and gambling problem severity. In addition, psychological vulnerabilities could differ based on preferred gambling activity. These results may be useful for prevention policies, identifying high risk gamblers and planning psychological interventions.

New technique for real-time distortion-invariant multiobject recognition and classification

Science.gov (United States)

Hong, Rutong; Li, Xiaoshun; Hong, En; Wang, Zuyi; Wei, Hongan

2001-04-01

A real-time hybrid distortion-invariant OPR system was established to make 3D multiobject distortion-invariant automatic pattern recognition. Wavelet transform technique was used to make digital preprocessing of the input scene, to depress the noisy background and enhance the recognized object. A three-layer backpropagation artificial neural network was used in correlation signal post-processing to perform multiobject distortion-invariant recognition and classification. The C-80 and NOA real-time processing ability and the multithread programming technology were used to perform high speed parallel multitask processing and speed up the post processing rate to ROIs. The reference filter library was constructed for the distortion version of 3D object model images based on the distortion parameter tolerance measuring as rotation, azimuth and scale. The real-time optical correlation recognition testing of this OPR system demonstrates that using the preprocessing, post- processing, the nonlinear algorithm os optimum filtering, RFL construction technique and the multithread programming technology, a high possibility of recognition and recognition rate ere obtained for the real-time multiobject distortion-invariant OPR system. The recognition reliability and rate was improved greatly. These techniques are very useful to automatic target recognition.

India's Distorted Sex Ratio: Dire Consequences for Girls.

Science.gov (United States)

Roberts, Lisa R; Montgomery, Susanne B

2016-01-01

Female gender discrimination related to cultural preference for males is a common global problem, especially in Asian countries. Numerous laws intended to prevent discrimination on the basis of gender have been passed in India, yet the distorted female-to-male sex ratio seems to show worsening tendencies. Using detailed, two-year longitudinal chart abstraction data about delivery records of a private mission hospital in rural India, we explored if hospital birth ratio data differed in comparison to regional data, and what demographic and contextual variables may have influenced these outcomes. Using quantitative chart abstraction and qualitative contextual data, study results showed the female-to-male ratio was lower than the reported state ratio at birth. In the context of India's patriarchal structure, with its strong son preference, women are under tremendous pressure or coerced to access community-based, sex-selective identification and female fetus abortion. Nurses may be key to turning the tide.

Spectral Behavior of Weakly Compressible Aero-Optical Distortions

Science.gov (United States)

Mathews, Edwin; Wang, Kan; Wang, Meng; Jumper, Eric

2016-11-01

In classical theories of optical distortions by atmospheric turbulence, an appropriate and key assumption is that index-of-refraction variations are dominated by fluctuations in temperature and the effects of turbulent pressure fluctuations are negligible. This assumption is, however, not generally valid for aero-optical distortions caused by turbulent flow over an optical aperture, where both temperature and pressures fluctuations may contribute significantly to the index-of-refraction fluctuations. A general expression for weak fluctuations in refractive index is derived using the ideal gas law and Gladstone-Dale relation and applied to describe the spectral behavior of aero-optical distortions. Large-eddy simulations of weakly compressible, temporally evolving shear layers are then used to verify the theoretical results. Computational results support theoretical findings and confirm that if the log slope of the 1-D density spectrum in the inertial range is -mρ , the optical phase distortion spectral slope is given by - (mρ + 1) . The value of mρ is then shown to be dependent on the ratio of shear-layer free-stream densities and bounded by the spectral slopes of temperature and pressure fluctuations. Supported by HEL-JTO through AFOSR Grant FA9550-13-1-0001 and Blue Waters Graduate Fellowship Program.

Gamow-Teller strength in the continuum studied via the (p,n) reaction

International Nuclear Information System (INIS)

Wakasa, T.; Hatanaka, K.; Sakai, H.

2002-01-01

The double differential cross sections for θ lab between 0.0deg and 14.7deg and the polarization transfer coefficient D NN (0deg) for the 27 Al (p vector, n vector) reaction have been measured at a bombarding energy of 295 MeV. A multipole decomposition technique is applied for the cross section data to extract L=0, 1, 2, and 3 contributions. The Gamow-Teller (GT) strength B(GT) deduced from the L=0 contribution is compared with the B(GT) values calculated in a full sd shell-model space. The sum of B(GT) values up to 20 MeV excitation is S β- =4.0 ± 0.1 ± 0.1. A fairly large L=0 contribution is observed in the continuum region up to 50 MeV, which could be in part ascribed to the quenched GT strength. A limit on the effect that the Δ(1232)-isobar nucleon-hole admixture has upon the GT strength is estimated. (author)

Accuracy evaluation of optical distortion calibration by digital image correlation

Science.gov (United States)

Gao, Zeren; Zhang, Qingchuan; Su, Yong; Wu, Shangquan

2017-11-01

Due to its convenience of operation, the camera calibration algorithm, which is based on the plane template, is widely used in image measurement, computer vision and other fields. How to select a suitable distortion model is always a problem to be solved. Therefore, there is an urgent need for an experimental evaluation of the accuracy of camera distortion calibrations. This paper presents an experimental method for evaluating camera distortion calibration accuracy, which is easy to implement, has high precision, and is suitable for a variety of commonly used lens. First, we use the digital image correlation method to calculate the in-plane rigid body displacement field of an image displayed on a liquid crystal display before and after translation, as captured with a camera. Next, we use a calibration board to calibrate the camera to obtain calibration parameters which are used to correct calculation points of the image before and after deformation. The displacement field before and after correction is compared to analyze the distortion calibration results. Experiments were carried out to evaluate the performance of two commonly used industrial camera lenses for four commonly used distortion models.

Distortion of digital panoramic radiographs used for implant site assessment

Directory of Open Access Journals (Sweden)

Rayyan Abdulhamid Kayal

2016-01-01

Full Text Available Aims: This study is conducted to determine the amount of distortion of digital panoramic radiographs. Materials and Methods: Panoramic radiographs of all patients who received dental implants in the years 2012 and 2013 were selected from the records at the faculty of dentistry, King Abdulaziz University. Radiographs were analyzed using the R4 Kodak Software for linear measurements of implants length and width. The measurements were compared to the actual size of the implant, and the amount of distortion was calculated. Results: A total of 169 implants were analyzed. Horizontally, there was a statistically significant increase of 0.4 mm in width in the radiographic measurement compared to the actual size in the incisor region. Vertically, the sample overall exhibited a decrease by 0.4 mm compared to the actual size. Incisors had the highest difference with a decrease of 1.7 mm in the radiographic measurements compared to actual size. The highest distortion was found in the incisor region for both diameter and length (1.1 and 0.86, respectively. Conclusion: Digital panoramic radiographs show minimal to no distortion. The highest distortion is found in the anterior area.

Analysis of tractable distortion metrics for EEG compression applications

International Nuclear Information System (INIS)

Bazán-Prieto, Carlos; Blanco-Velasco, Manuel; Cruz-Roldán, Fernando; Cárdenas-Barrera, Julián

2012-01-01

Coding distortion in lossy electroencephalographic (EEG) signal compression methods is evaluated through tractable objective criteria. The percentage root-mean-square difference, which is a global and relative indicator of the quality held by reconstructed waveforms, is the most widely used criterion. However, this parameter does not ensure compliance with clinical standard guidelines that specify limits to allowable noise in EEG recordings. As a result, expert clinicians may have difficulties interpreting the resulting distortion of the EEG for a given value of this parameter. Conversely, the root-mean-square error is an alternative criterion that quantifies distortion in understandable units. In this paper, we demonstrate that the root-mean-square error is better suited to control and to assess the distortion introduced by compression methods. The experiments conducted in this paper show that the use of the root-mean-square error as target parameter in EEG compression allows both clinicians and scientists to infer whether coding error is clinically acceptable or not at no cost for the compression ratio. (paper)

Applications of X-ray fluorescence holography to determine local lattice distortions

International Nuclear Information System (INIS)

Hayashi, Kouichi; Happo, Naohisa; Hosokawa, Shinya

2014-01-01

Highlights: • We summarized topics of X-ray fluorescence holography focused on the local lattice distortions. • We found details of behaviors of nearest neighbor atoms around dopants. • We found the average distributions of the atoms at the individual sites in mixed crystals. • Distorted and undistorted sires sometimes coexist in a same mixed crystal. - Abstract: X-ray fluorescence holography (XFH) is a method for investigating atomic order up to the medium ranges, and can provide 3D atomic images around specific elements within a radius of nm order. In addition to these characteristics, XFH is sensitive to positional fluctuations of atoms, and therefore it is useful for characterizing the local lattice distortions around specific elements. We have applied XFH to dopants and mixed crystals. We found interesting features in local lattice distortions, such as the displacements of first-neighbor atoms around dopants, far-sighted views of the atomistic fluctuations in mixed crystals, and the coexistence of distorted/undistorted sites in the same material

Cu²⁺ in Layered Compounds

DEFF Research Database (Denmark)

Aramburu, J. A.; García Lastra, Juan Maria; García-Fernández, P.

2013-01-01

been analyzed using a parametrized Jahn–Teller model with an imposed strain [Reinen, D. Inorg. Chem.2012, 51, 4458]. Here, we present results of ab initio periodic supercell and cluster calculations on K2ZnF4:Cu2+, showing unequivocally that the actual origin of the unusual compressed geometry......– distances are, respectively, Rax = 193 pm and Req = 204 pm, and so the calculated distortion Rax – Req = 11 pm is three times smaller than the estimated through the parametrized Jahn–Teller model. As a salient feature, we find that if the CuF64– complex would assume a perfect octahedral geometry (Rax = Req...

Does energy-price regulation benefit China's economy and environment? Evidence from energy-price distortions

International Nuclear Information System (INIS)

Ju, Keyi; Su, Bin; Zhou, Dequn; Wu, Junmin

2017-01-01

China's energy prices have long been regulated due to the critical role energy plays in economic growth and social development, which leads to energy-price distortion to some extent. To figure out whether energy-price regulations will benefit China's economy (measured by GDP growth) and environment (measured by carbon emissions), we conducted an in-depth simulation using path analysis, where five energy products (natural gas, gasoline, fuel oil, steam coal, and coking coal) are selected and three measurements (absolute, relative, and moving) of energy-price distortions are calculated. The results indicate that, with a series of energy pricing policies, the price distortion for a single type of energy has gradually transformed, while the energy pricing system in China is not fully market-oriented yet. Furthermore, China's economy benefits from relative and moving distortions, while the absolute distortions of energy prices have negative impacts on economic growth. Finally, with regard to the environment, carbon emissions call for fewer distortions. - Highlights: • Price distortion for a single type of energy has gradually transformed. • Energy pricing system in China is not yet fully market-oriented. • China's economy benefits from relative and moving distortions. • Absolute distortions of energy prices have negative effects on economic growth. • Carbon emissions call for less pricing distortions.

Field-dependent spin chirality and frustration in V3 and Cu3 nanomagnets in transverse magnetic field. 2. Spin configurations, chirality and intermediate spin magnetization in distorted trimers

International Nuclear Information System (INIS)

Belinsky, Moisey I.

2014-01-01

Highlights: • Distorted spin configurations determine field behavior of the variable chiralities. • Distortions change spin chiralities, intermediate M 12 ± and staggered magnetization. • Magnetizations, distorted vector and scalar chiralities are strongly correlated. • Distorted V 3 , Cu 3 nanomagnets possess large vector chirality in the ground state in B ⊥ . • Chiralities and distortions in EPR, INS and NMR spectra were considered. - Abstract: Correlated spin configurations, magnetizations, frustration, vector κ ¯ z and scalar χ ¯ chiralities are considered for distorted V ‾ 3 , /Cu 3 / anisotropic DM nanomagnets in transverse B x ‖X and longitudinal B‖Z fields. Different planar configurations in the ground and excited states of distorted nanomagnets in B x determine different field behavior of the vector chiralities and the degenerate frustration in these states correlated with the M ~ 12 ± (B x ) intermediate spin (IS) magnetization which describes the S 12 characteristics, χ=0. Distortion results in the reduced κ ¯ z <1 chirality in the ground distorted configuration and in the maximum κ z =±1 in the excited states with the planar 120° configurations at avoided level crossing. In B‖Z, distorted longitudinal spin-collinear configurations are characterized by the reduced degenerate frustration, out-of-plane staggered and IS M ~ 12 ± (B z ) magnetizations, and in-plane toroidal moments, correlated with the κ ¯ z , χ ¯ chiralities, χ ¯ =±|κ ¯ z |. The chiralities and IS magnetization in EPR, INS and NMR spectra are considered. The quantitative correlations describe variable spin chirality, frustration and field manipulation of chiralities in nanomagnets

A Comparison of Three Methods for Measuring Distortion in Optical Windows

Science.gov (United States)

Youngquist, Robert C.; Nurge, Mark A.; Skow, Miles

2015-01-01

It's important that imagery seen through large-area windows, such as those used on space vehicles, not be substantially distorted. Many approaches are described in the literature for measuring the distortion of an optical window, but most suffer from either poor resolution or processing difficulties. In this paper a new definition of distortion is presented, allowing accurate measurement using an optical interferometer. This new definition is shown to be equivalent to the definitions provided by the military and the standards organizations. In order to determine the advantages and disadvantages of this new approach, the distortion of an acrylic window is measured using three different methods: image comparison, moiré interferometry, and phase-shifting interferometry.

System performance enhancement with pre-distorted OOFDM signal waveforms in DM/DD systems.

Science.gov (United States)

Sánchez, C; Ortega, B; Capmany, J

2014-03-24

In this work we propose a pre-distortion technique for the mitigation of the nonlinear distortion present in directly modulated/detected OOFDM systems and explore the system performance achieved under varying system parameters. Simulation results show that the proposed pre-distortion technique efficiently mitigates the nonlinear distortion, achieving transmission information rates around 40 Gbits/s and 18.5 Gbits/s over 40 km and 100 km of single mode fiber links, respectively, under optimum operating conditions. Moreover, the proposed pre-distortion technique can potentially provide higher system performance to that obtained with nonlinear equalization at the receiver.

The position–momentum uncertainty relations for a Pöschl–Teller type potential and its squeezed phenomena

Energy Technology Data Exchange (ETDEWEB)

Chen, Chang-Yuan, E-mail: yctcccy@163.net [School of Physics and Electronics, Yancheng Teachers University, Yancheng 224051 (China); You, Yuan; Lu, Fa-Lin [School of Physics and Electronics, Yancheng Teachers University, Yancheng 224051 (China); Dong, Shi-Hai, E-mail: dongsh2@yahoo.com [Departamento de Física, Escuela Superior de Física y Matemáticas, Instituto Politécnico Nacional, Edificio 9, Unidad Profesional Adolfo López Mateos, Mexico D.F. 07738 (Mexico)

2013-06-17

We present the position–momentum uncertainties for the Pöschl–Teller potential. We observe that the Δx decreases with the potential depth λ but increases with quantum number n. Interestingly, we find that the Δp first increases and then decreases with the n. The ΔxΔp first decreases and then increases with the λ, but almost becomes a constant (n+1/2)ℏ for a larger λ. Particularly, there exists a squeezed phenomenon in position x for the lower states. The squeezing in x compensated for by an increase in momentum p, such that ΔxΔp⩾ℏ/2 is still satisfied.