WorldWideScience

Sample records for degenerate electronic states

  1. Theoretical investigation of the hyperfine structure in spatially and spin degenerate electronic states

    Directory of Open Access Journals (Sweden)

    JELENA RADIC-PERIC

    2005-03-01

    Full Text Available The present paper reviews the results of ab initio studies on the magnetic hyperfine structure in spectra of spatially and spin degenerate electronic states of triatomic and tetra-atomic molecules. The main goal of the present paper is to show that such theoretical investigations can be used to reliably reproduce, explain and predict the results of the corresponding measurements.

  2. Quantum control of electronic fluxes during adiabatic attosecond charge migration in degenerate superposition states of benzene

    Science.gov (United States)

    Jia, Dongming; Manz, Jörn; Paulus, Beate; Pohl, Vincent; Tremblay, Jean Christophe; Yang, Yonggang

    2017-01-01

    We design four linearly x- and y-polarized as well as circularly right (+) and left (-) polarized, resonant π / 2 -laser pulses that prepare the model benzene molecule in four different degenerate superposition states. These consist of equal (0.5) populations of the electronic ground state S0 (1A1g) plus one of four degenerate excited states, all of them accessible by dipole-allowed transitions. Specifically, for the molecule aligned in the xy-plane, these excited states include different complex-valued linear combinations of the 1E1u,x and 1E1u,y degenerate states. As a consequence, the laser pulses induce four different types of periodic adiabatic attosecond (as) charge migrations (AACM) in benzene, all with the same period, 504 as, but with four different types of angular fluxes. One of the characteristic differences of these fluxes are the two angles for zero fluxes, which appear as the instantaneous angular positions of the "source" and "sink" of two equivalent, or nearly equivalent branches of the fluxes which flow in pincer-type patterns from one molecular site (the "source") to the opposite one (the "sink"). These angles of zero fluxes are either fixed at the positions of two opposite carbon nuclei in the yz-symmetry plane, or at the centers of two opposite carbon-carbon bonds in the xz-symmetry plane, or the angles of zero fluxes rotate in angular forward (+) or backward (-) directions, respectively. As a resume, our quantum model simulations demonstrate quantum control of the electronic fluxes during AACM in degenerate superposition states, in the attosecond time domain, with the laser polarization as the key knob for control.

  3. Highlighting short-lived excited electronic states with pump-degenerate-four-wave-mixing.

    Science.gov (United States)

    Marek, Marie S; Buckup, Tiago; Southall, June; Cogdell, Richard J; Motzkus, Marcus

    2013-08-21

    Detection of short-lived transient species is a major challenge in femtosecond spectroscopy, especially when third-order techniques like transient absorption are used. Higher order methods employ additional interactions between light and matter to highlight such transient species. In this work we address numerically and experimentally the detection of ultrafast species with pump-Degenerate Four Wave Mixing (pump-DFWM). In this respect, conclusive identification of ultrafast species requires the proper determination of time-zero between all four laser pulses (pump pulse and the DFWM sequence). This is addressed here under the light of experimental parameters as well as molecular properties: The role of pulse durations, amount of pulse chirp as well as excited state life time is investigated by measuring a row of natural pigments differing mainly in the number of conjugated double bonds (N = 9 to 13). A comparison of the different signals reveals a strikingly unusual behavior of spheroidene (N = 10). Complete analysis of the pump-DFWM signal illustrates the power of the method and clearly assigns the uniqueness of spheroidene to a mixing of the initially excited state with a dark excited electronic state.

  4. Geometric phases for non-degenerate and degenerate mixed states

    CERN Document Server

    Singh, K; Basu, K; Chen, J L; Du Jiang Feng

    2003-01-01

    This paper focuses on the geometric phase of general mixed states under unitary evolution. Here we analyze both non-degenerate as well as degenerate states. Starting with the non-degenerate case, we show that the usual procedure of subtracting the dynamical phase from the total phase to yield the geometric phase for pure states, does not hold for mixed states. To this end, we furnish an expression for the geometric phase that is gauge invariant. The parallelity conditions are shown to be easily derivable from this expression. We also extend our formalism to states that exhibit degeneracies. Here with the holonomy taking on a non-abelian character, we provide an expression for the geometric phase that is manifestly gauge invariant. As in the case of the non-degenerate case, the form also displays the parallelity conditions clearly. Finally, we furnish explicit examples of the geometric phases for both the non-degenerate as well as degenerate mixed states.

  5. Inelastic electron tunneling through degenerate and nondegenerate ground state polymeric junctions

    Energy Technology Data Exchange (ETDEWEB)

    Golsanamlou, Z.; Bagheri Tagani, M., E-mail: m_bagheri@guilan.ac.ir; Rahimpour Soleimani, H.

    2015-05-01

    Highlights: • Current–voltage characteristics of two polymeric junctions are studied. • Current is reduced in phonon assistant tunneling regime. • Behavior of current is independent of temperature. • Elastic energy changes current drastically. - Abstract: The inelastic electron transport properties through two polymeric (trans-polyacetylene and polythiophene) molecular junctions are studied using Keldysh nonequilibrium Green function formalism. The Hamiltonian of the polymers is described via Su–Schrieffer–Heeger model and the metallic electrodes are modeled by the wide-band approximation. Results show that the step-like behavior of the current–voltage characteristics is deformed in presence of strong electron–phonon interaction. Also, the magnitude of current is slightly decreased in the phonon assistant electron transport regime. In addition, it is observed that the I–V curves are independent of temperature.

  6. Correlations in a partially degenerate electron plasma

    Energy Technology Data Exchange (ETDEWEB)

    Chihara, Junzo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1998-03-01

    The density-functional theory proves that an ion-electron mixture can be treated as a one-component liquid interacting only via a pairwise interaction in the evaluation of the ion-ion radial distribution function (RDF), and provides a set of integral equations: one is an integral equation for the ion-ion RDF and another for an effective ion-ion interaction, which depends on the ion-ion RDF. This formulation gives a set of integral equation to calculate plasma structures with combined use of the electron-electron correlations in a partially degenerate electron plasma. Therefore, it is important for this purpose to determine the electron-electron correlations at a arbitrary temperature. Here, they are calculated by the quantal version of the hypernetted chain (HNC) equation. On the basis of the jellium-vacancy model, the ionic and electronic structures of rubidium are calculated for the range from liquid metal to plasma states by increasing the temperature at the fixed density using the electron-correlation results. (author)

  7. Stopping Power for Degenerate Electrons

    Energy Technology Data Exchange (ETDEWEB)

    Singleton, Jr., Robert [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-05-16

    This is a first attempt at calculating the BPS stopping power with electron degeneracy corrections. Section I establishes some notation and basic facts. Section II outlines the basics of the calculation, and in Section III contains some brief notes on how to proceed with the details of the calculation. The remaining work for the calculation starts with Section III.

  8. Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory.

    Science.gov (United States)

    Cárdenas, Carlos; Ayers, Paul W; Cedillo, Andrés

    2011-05-07

    Density-functional-theory-based chemical reactivity indicators are formulated for degenerate and near-degenerate ground states. For degenerate states, the functional derivatives of the energy with respect to the external potential do not exist, and must be replaced by the weaker concept of functional variation. The resultant reactivity indicators depend on the specific perturbation. Because it is sometimes impractical to compute reactivity indicators for a specific perturbation, we consider two special cases: point-charge perturbations and Dirac delta function perturbations. The Dirac delta function perturbations provide upper bounds on the chemical reactivity. Reactivity indicators using the common used "average of degenerate states approximation" for degenerate states provide a lower bound on the chemical reactivity. Unfortunately, this lower bound is often extremely weak. Approximate formulas for the reactivity indicators within the frontier-molecular-orbital approximation and special cases (two or three degenerate spatial orbitals) are presented in the supplementary material. One remarkable feature that arises in the frontier molecular orbital approximation, and presumably also in the exact theory, is that removing electrons sometimes causes the electron density to increase at the location of a negative (attractive) Dirac delta function perturbation. That is, the energetic response to a reduction in the external potential can increase even when the number of electrons decreases.

  9. The degenerate-internal-states approximation for cold collisions

    NARCIS (Netherlands)

    Maan, A.C.; Tiesinga, E.; Stoof, H.T.C.; Verhaar, B.J.

    1990-01-01

    The Degenerate-Internal-States approximation as well as its first-order correction are shown to provide a convenient method for calculating elastic and inelastic collision amplitudes for low temperature atomic scattering.

  10. Low Starting Electron Beam Current in Degenerate Band Edge Oscillators

    CERN Document Server

    Othman, Mohamed A K; Figotin, Alexander; Capolino, Filippo

    2016-01-01

    We propose a new principle of operation in vacuum electron-beam-based oscillators that leads to a low beam current for starting oscillations. The principle is based on super synchronous operation of an electron beam interacting with four degenerate electromagnetic modes in a slow-wave structure (SWS). The four mode super synchronous regime is associated with a very special degeneracy condition in the dispersion diagram of a cold periodic SWS called degenerate band edge (DBE). This regime features a giant group delay in the finitelength SWS and low starting-oscillation beam current. The starting beam current is at least an order of magnitude smaller compared to a conventional backward wave oscillator (BWO) of the same length. As a representative example we consider a SWS conceived by a periodically-loaded metallic waveguide supporting a DBE, and investigate starting-oscillation conditions using Pierce theory generalized to coupled transmission lines (CTL). The proposed super synchronism regime can be straightf...

  11. Nonlinear electromagnetic waves in a degenerate electron-positron plasma

    Energy Technology Data Exchange (ETDEWEB)

    El-Labany, S.K., E-mail: skellabany@hotmail.com [Department of Physics, Faculty of Science, Damietta University, New Damietta (Egypt); El-Taibany, W.F., E-mail: eltaibany@hotmail.com [Department of Physics, College of Science for Girls in Abha, King Khalid University, Abha (Saudi Arabia); El-Samahy, A.E.; Hafez, A.M.; Atteya, A., E-mail: ahmedsamahy@yahoo.com, E-mail: am.hafez@sci.alex.edu.eg, E-mail: ahmed_ateya2002@yahoo.com [Department of Physics, Faculty of Science, Alexandria University, Alexandria (Egypt)

    2015-08-15

    Using the reductive perturbation technique (RPT), the nonlinear propagation of magnetosonic solitary waves in an ultracold, degenerate (extremely dense) electron-positron (EP) plasma (containing ultracold, degenerate electron, and positron fluids) is investigated. The set of basic equations is reduced to a Korteweg-de Vries (KdV) equation for the lowest-order perturbed magnetic field and to a KdV type equation for the higher-order perturbed magnetic field. The solutions of these evolution equations are obtained. For better accuracy and searching on new features, the new solutions are analyzed numerically based on compact objects (white dwarf) parameters. It is found that including the higher-order corrections results as a reduction (increment) of the fast (slow) electromagnetic wave amplitude but the wave width is increased in both cases. The ranges where the RPT can describe adequately the total magnetic field including different conditions are discussed. (author)

  12. Nonlinear Electromagnetic Waves in a Degenerate Electron-Positron Plasma

    Science.gov (United States)

    El-Labany, S. K.; El-Taibany, W. F.; El-Samahy, A. E.; Hafez, A. M.; Atteya, A.

    2015-08-01

    Using the reductive perturbation technique (RPT), the nonlinear propagation of magnetosonic solitary waves in an ultracold, degenerate (extremely dense) electron-positron (EP) plasma (containing ultracold, degenerate electron, and positron fluids) is investigated. The set of basic equations is reduced to a Korteweg-de Vries (KdV) equation for the lowest-order perturbed magnetic field and to a KdV type equation for the higher-order perturbed magnetic field. The solutions of these evolution equations are obtained. For better accuracy and searching on new features, the new solutions are analyzed numerically based on compact objects (white dwarf) parameters. It is found that including the higher-order corrections results as a reduction (increment) of the fast (slow) electromagnetic wave amplitude but the wave width is increased in both cases. The ranges where the RPT can describe adequately the total magnetic field including different conditions are discussed.

  13. Nearly degenerate isomeric states of 75Cu

    Science.gov (United States)

    Petrone, C.; Daugas, J. M.; Simpson, G. S.; Stanoiu, M.; Plaisir, C.; Faul, T.; Borcea, C.; Borcea, R.; Cáceres, L.; Calinescu, S.; Chevrier, R.; Gaudefroy, L.; Georgiev, G.; Gey, G.; Kamalou, O.; Negoita, F.; Rotaru, F.; Sorlin, O.; Thomas, J. C.

    2016-08-01

    The decays of two isomeric states in the neutron-rich nucleus 75Cu have been studied via delayed γ -ray spectroscopy. These states were populated by the fragmentation of a 60.4 A MeV 86Kr primary beam, which impinged on a Be target at the LISE2k spectrometer of GANIL. Isomeric half-lives and branching ratios were measured, and a γ -γ coincidence analysis performed. These have allowed a revised level scheme of 75Cu to be proposed. A comparison with large-scale shell-model calculations using different effective interactions and valence spaces shows the importance of proton excitations across the Z =28 shell gap for reproducing the energy spacing between the isomeric states. The coexisting collective and single-particle properties of the (1 /2-) and (3 /2-) states, respectively, are similar to those of the same states in the neighboring 69,71,73Cu. The small energy spacings between the (1 /2-) , (3 /2-) , and 5 /2- states are responsible for the isomerism.

  14. Pressure of Degenerate and Relativistic electrons in a superhigh magnetic field

    CERN Document Server

    Gao, Zhi Fu; He, Peng Qiu; Jie, Du Yuan

    2013-01-01

    Based on our previous work, we deduce a general formula for pressure of degenerate and relativistic electrons,Pe, which is suitable for superhigh magnetic fields, discuss the quantization of Landau levels of electrons, and consider the quantum electrodynam-ic(QED) effects on the equations of states (EOSs) for different matter systems. The main conclusions are as follows:Pe is related to the magnetic field B, matter density ?, and electron fraction Ye ; the stronger the magnetic field, the higher the electron pressure becomes; the high electron pressure could be caused by high Fermi energy of electrons in a superhigh magnetic field; compared with a common radio pulsar, a magnetar could be a more compact oblate spheroid-like deformed neutron star due to the anisotropic total pressure; and an increase in the maximum mass of a magnetar is expected because of the positive contribution of the magnetic field energy to the EOS of the star.

  15. Construction of Gaiotto states with fundamental multiplets through Degenerate DAHA

    CERN Document Server

    Matsuo, Yutaka; Zhang, Hong

    2014-01-01

    We construct Gaiotto states with fundamental multiplets in $SU(N)$ gauge theories, in terms of the orthonormal basis of spherical degenerate double affine Hecke algebra (SH in short), the representations of which are equivalent to those of $W_n$ algebra with additional $U(1)$ current. The generalized Whittaker conditions are demonstrated under the action of SH, and further rewritten in terms of $W_n$ algebra. Our approach not only consists with the existing literature but also holds for general $SU(N)$ case.

  16. Electron-phonon heat transport in degenerate Si at low temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Kivinen, P.; Toermae, P. [Department of Physics, University of Jyvaeskylae, P.O. Box 35, 40014 Jyvaeskylae (Finland); Prunnila, M. [VTT Information Technology, P.O. Box 1208, 02044 Espoo (Finland); Savin, A.; Pekola, J.; Ahopelto, J. [Low Temperature Laboratory, Helsinki University of Technology, P.O. Box 2200, 02015 Espoo (Finland)

    2004-11-01

    The thermal conductance between electrons and phonons in a solid state system becomes comparatively weak at sub-Kelvin temperatures. In this work five batches of thin heavily doped silicon-on-insulator samples with the electron concentration in the range of 2.0-16 x 10{sup 19} cm{sup -3} were studied. Below 1 K all the samples were in the dirty limit of the thermal electron-phonon coupling, where the thermal phonon wavelength exceeds the electron mean free path. The heat flow between electrons and phonons is proportional to (T{sup 6}{sub e}-T{sup 6}{sub ph}), where T{sub e} (T{sub ph}) is the electron (phonon) temperature. The constant of proportionality of the heat flow strongly depends on the electron concentration and its magnitude is roughly two orders of magnitude smaller than in normal metals like Cu. These properties of degenerate Si make it promising material for many low temperature device applications. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Arbitrary amplitude electrostatic wave propagation in a magnetized dense plasma containing helium ions and degenerate electrons

    Science.gov (United States)

    Mahmood, S.; Sadiq, Safeer; Haque, Q.; Ali, Munazza Z.

    2016-06-01

    The obliquely propagating arbitrary amplitude electrostatic wave is studied in a dense magnetized plasma having singly and doubly charged helium ions with nonrelativistic and ultrarelativistic degenerate electrons pressures. The Fermi temperature for ultrarelativistic degenerate electrons described by N. M. Vernet [(Cambridge University Press, Cambridge, 2007), p. 57] is used to define ion acoustic speed in ultra-dense plasmas. The pseudo-potential approach is used to solve the fully nonlinear set of dynamic equations for obliquely propagating electrostatic waves in a dense magnetized plasma containing helium ions. The upper and lower Mach number ranges for the existence of electrostatic solitons are found which depends on the obliqueness of the wave propagation with respect to applied magnetic field and charge number of the helium ions. It is found that only compressive (hump) soliton structures are formed in all the cases and only subsonic solitons are formed for a singly charged helium ions plasma case with nonrelativistic degenerate electrons. Both subsonic and supersonic soliton hump structures are formed for doubly charged helium ions with nonrelativistic degenerate electrons and ultrarelativistic degenerate electrons plasma case containing singly as well as doubly charged helium ions. The effect of propagation direction on the soliton amplitude and width of the electrostatic waves is also presented. The numerical plots are also shown for illustration using dense plasma parameters of a compact star (white dwarf) from literature.

  18. Accelerator-based neutron source using a cold deuterium target with degenerate electrons

    Directory of Open Access Journals (Sweden)

    R. E. Phillips

    2013-07-01

    Full Text Available A neutron generator is considered in which a beam of tritons is incident on a hypothetical cold deuterium target with degenerate electrons. The energy efficiency of neutron generation is found to increase substantially with electron density. Recent reports of potential targets are discussed.

  19. EXISTENCE OF WEAK SOLUTIONS TO A DEGENERATE STEAD-STATE SEMICONDUCTOR EQUATIONS

    Institute of Scientific and Technical Information of China (English)

    Wu Bin

    2011-01-01

    In this paper, we consider a degenerate steady-state drift-diffusion model for semiconductors. The pressure function used in this paper is (s)=sα(α>1). We present existence results for general nonlinear diffusivities for the degenerate Dirichlet-Neumann mixed boundary value problem.

  20. Theory for magnetic linear dichroism of electronic transitions between twofold-degenerate molecular spin levels

    Science.gov (United States)

    Bominaar, Emile L.; Achim, Catalina; Peterson, Jim

    1998-07-01

    Magnetic linear dichroism (MLD) spectroscopy is a relatively new technique which previously has been almost exclusively applied to atoms. These investigations have revealed that the study of MLD, in conjunction with electronic absorption and magnetic circular dichroism (MCD) spectroscopies, provides significant additional information concerning the electronic structure of atoms. More recent measurements have indicated that MLD is also observable from transition ions in inorganic compounds and metalloproteins. While the theory for atomic MLD has been worked out in considerable detail during the last two decades, an MLD theory of practical utility for the analysis of the spectra derived from the majority of paramagnetic molecules is not available. In the present contribution, the MLD of an electric-dipole-allowed transition between twofold-degenerate molecular spin levels is analyzed, assuming nonsaturating conditions. As for atomic systems, it is found that the MLD of a single molecule is dominated by the term G0. However, this term vanishes in the powder average evaluated for a randomly oriented ensemble of molecules, leading to a drastic reduction of the MLD differential absorption for systems with spin S=1/2 compared to that observed for systems with higher ground-state spin. It is found that MLD and MCD spectroscopies on solution samples have complementary spin-state specific sensitivities which suggest that the two methods can be used to selectively probe the individual metal sites in multicenter metalloprotein assemblies.

  1. A nonlinear model for magnetoacoustic waves in dense dissipative plasmas with degenerate electrons

    Energy Technology Data Exchange (ETDEWEB)

    Masood, W. [COMSATS Institute of Information Technology, Islamabad (Pakistan); National Centre for Physics (NCP), Shahdra Valley Road, Islamabad (Pakistan); Jahangir, R.; Siddiq, M. [National Centre for Physics (NCP), Shahdra Valley Road, Islamabad (Pakistan); Eliasson, B. [SUPA, Physics Department, University of Strathclyde, Glasgow (United Kingdom)

    2014-10-15

    The properties of nonlinear fast magnetoacoustic waves in dense dissipative plasmas with degenerate electrons are studied theoretically in the framework of the Zabolotskaya-Khokhlov (ZK) equation for small but finite amplitude excitations. Shock-like solutions of the ZK equation are obtained and are applied to parameters relevant to white dwarf stars.

  2. Modeling of modified electron-acoustic solitary waves in a relativistic degenerate plasma

    Energy Technology Data Exchange (ETDEWEB)

    Hossen, M. R.; Mamun, A. A. [Jahangirnagar University, Savar, Dhaka (Bangladesh)

    2014-12-15

    The modeling of a theoretical and numerical study on the nonlinear propagation of modified electron-acoustic (mEA) solitary waves has been carried out in an unmagnetized, collisionless, relativistic, degenerate quantum plasma (containing non-relativistic degenerate inertial cold electrons, both non-relativistic and ultra-relativistic degenerate hot electron and inertial positron fluids, and positively-charged static ions). A reductive perturbation technique is used to derive the planar and the nonplanar Korteweg-de Vries (K-dV) equations, which admit a localized wave solution for the solitary profile. The solitary wave's characteristics are found to have been influenced significantly for the non-relativistic and the ultra-relativistic limits. The mEA solitary waves are also found to have been significantly modified due to the effects of the degenerate pressure and the number densities of this dense plasma's constituents. The properties of the planar K-dV solitary wave are quite different from those of the nonplanar K-dV solitary wave. The relevance of our results to astrophysical objects (like white dwarfs and neutron stars), which are of scientific interest, is briefly mentioned.

  3. Nonlinear magnetosonic waves in dense plasmas with non-relativistic and ultra-relativistic degenerate electrons

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, S.; Mahmood, S.; Rehman, Aman-ur- [Theoretical Physics Division (TPD), PINSTECH, P.O. Nilore, Islamabad 44000, Pakistan and Pakistan Institute of Engineering and Applied Sciences (PIEAS), P.O. Nilore, Islamabad 44000 (Pakistan)

    2014-11-15

    Linear and nonlinear propagation of magnetosonic waves in the perpendicular direction to the ambient magnetic field is studied in dense plasmas for non-relativistic and ultra-relativistic degenerate electrons pressure. The sources of nonlinearities are the divergence of the ions and electrons fluxes, Lorentz forces on ions and electrons fluids and the plasma current density in the system. The Korteweg-de Vries equation for magnetosonic waves propagating in the perpendicular direction of the magnetic field is derived by employing reductive perturbation method for non-relativistic as well as ultra-relativistic degenerate electrons pressure cases in dense plasmas. The plots of the magnetosonic wave solitons are also shown using numerical values of the plasma parameters such a plasma density and magnetic field intensity of the white dwarfs from literature. The dependence of plasma density and magnetic field intensity on the magnetosonic wave propagation is also pointed out in dense plasmas for both non-relativistic and ultra-relativistic degenerate electrons pressure cases.

  4. Magnetoacoustic solitons and shocks in dense astrophysical plasmas with relativistic degenerate electrons

    Science.gov (United States)

    Irfan, M.; Ali, S.; Mirza, Arshad M.

    2016-02-01

    Two-fluid quantum magnetohydrodynamic (QMHD) equations are employed to investigate linear and nonlinear properties of the magnetosonic waves in a semi-relativistic dense plasma accounting for degenerate relativistic electrons. In the linear analysis, a plane wave solution is used to derive the dispersion relation of magnetosonic waves, which is significantly modified due to relativistic degenerate electrons. However, for a nonlinear investigation of solitary and shock waves, we employ the reductive perturbation technique for the derivation of Korteweg-de Vries (KdV) and Korteweg-de Vries Burger (KdVB) equations, admitting nonlinear wave solutions. Numerically, it is shown that the wave frequency decreases to attain a lowest possible value at a certain critical number density Nc(0), and then increases beyond Nc(0) as the plasma number density increases. Moreover, the relativistic electrons and associated pressure degeneracy lead to a reduction in the spatial extents of the magnetosonic waves and a strengthening of the shock amplitude. The results might be important for understanding the linear and nonlinear magnetosonic excitations in dense astrophysical plasmas, such as in white dwarfs, magnetars and neutron stars, etc., where relativistic degenerate electrons are present.

  5. Familial band--shaped keratopathy and spheroidal degeneration. Clinical and electron microscopic study.

    Science.gov (United States)

    Kloucek, F

    1977-12-31

    Presumptive primary band-shaped keratopathy was described in a 35-year-old man and his 62-year-old paternal uncle. Lamellar keratoplasty was performed in one eye in each of these patients. The light and electron microscopic studies were carried out on both corneal specimens. Histologic stains for calcium were negative. Noncalcific band-shaped keratopathy was confirmed by electron microscopic findings too. Electron-dense globular deposits were found in the region of Bowman's membrane and superficial stroma. These may be characterized as a secondary form of spheroidal degeneration.

  6. Giant Amplification in Degenerate Band Edge Slow-Wave Structures Interacting with an Electron Beam

    CERN Document Server

    Othman, Mohamed A K; Figotin, Alexander; Capolino, Filippo

    2015-01-01

    We advance here a new amplification regime based on synchronous operation of four degenerate electromagnetic (EM) modes and the electron beam referred to as super synchronization. These four EM modes arise in a Fabry-Perot cavity (FPC) when degenerate band edge (DBE) condition is satisfied. The modes interact constructively with the electron beam resulting in superior amplification. In particular, much larger gains are achieved for smaller beam currents compared to conventional structures allowing for synchronization with only a single EM mode. We construct a mutli transmission line (MTL) model for a loaded waveguide slow-wave structure exhibiting a DBE, and investigate the phenomenon of giant gain via super synchronization using generalized Pierce model.

  7. Self-Guiding of Electromagnetic Beams in Degenerate Relativistic Electron-Positron Plasma

    CERN Document Server

    Berezhiani, V I

    2016-01-01

    The possibility of self-trapped propagation of electromagnetic beams in the fully degenerate relativistic electron-positron plasma has been studied applying Fluid-Maxwell model; it is shown that dynamics of such beams can be described by the generalized Nonlinear Schr\\"odinger equation with specific type of saturating nonlinearity. Existence of radially symmetric localized solitary structures is demonstrated. It is found that stable solitary structures exist for the arbitrary level of degeneracy.

  8. On the high frequency perpendicular propagating waves in ultra-relativistic fully degenerate electron plasma

    Science.gov (United States)

    Noureen, S.; Abbas, G.; Farooq, H.

    2017-09-01

    Using Vlasov-Maxwell's equations, the spectra of the perpendicular propagating Bernstein wave and Extraordinary wave in ultra-relativistic fully degenerate electron plasma are studied. The equilibrium particle distribution function is assumed to be isotropic Fermian. The analysis of high frequency spectra of the waves is carried out in the weak propagation limit Ω≫k .v and in the weak magnetic field limit |ω-k .v | ≫Ω and graphically observed.

  9. Modified Monte Carlo method for study of electron transport in degenerate electron gas in the presence of electron-electron interactions, application to graphene

    Science.gov (United States)

    Borowik, Piotr; Thobel, Jean-Luc; Adamowicz, Leszek

    2017-07-01

    Standard computational methods used to take account of the Pauli Exclusion Principle into Monte Carlo (MC) simulations of electron transport in semiconductors may give unphysical results in low field regime, where obtained electron distribution function takes values exceeding unity. Modified algorithms were already proposed and allow to correctly account for electron scattering on phonons or impurities. Present paper extends this approach and proposes improved simulation scheme allowing including Pauli exclusion principle for electron-electron (e-e) scattering into MC simulations. Simulations with significantly reduced computational cost recreate correct values of the electron distribution function. Proposed algorithm is applied to study transport properties of degenerate electrons in graphene with e-e interactions. This required adapting the treatment of e-e scattering in the case of linear band dispersion relation. Hence, this part of the simulation algorithm is described in details.

  10. New nonlinear structures in a degenerate one-dimensional electron gas

    CERN Document Server

    Ghosh, S; Haas, F

    2014-01-01

    The collective dynamics of nonlinear electron waves in an one-dimensional degenerate electron gas is treated using the Lagrangian fluid approach. A new class of solutions with a nontrivial space and time dependence is derived. Both analytical and numerical results demonstrate the formation of stable, breather-like modes, provided certain conditions are meet. For large amplitude of the initial density perturbation, a catastrophic collapse of the plasma density is predicted, even in the presence of the quantum statistical pressure and quantum diffraction dispersive effects. The results are useful for the understanding of the properties of general nonlinear structures in dense plasmas.

  11. Magnetohydrodynamic waves with relativistic electrons and positrons in degenerate spin-1/2 astrophysical plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Maroof, R. [Department of Physics, Abdul Wali Khan University, Mardan 23200 (Pakistan); Department of Physics, University of Peshawar, Peshawar 25000 (Pakistan); National Center for Physics (NCP) at QAU Campus, Shahdra Valley Road, Islamabad 44000 (Pakistan); Ali, S. [National Center for Physics (NCP) at QAU Campus, Shahdra Valley Road, Islamabad 44000 (Pakistan); Mushtaq, A. [Department of Physics, Abdul Wali Khan University, Mardan 23200 (Pakistan); National Center for Physics (NCP) at QAU Campus, Shahdra Valley Road, Islamabad 44000 (Pakistan); Qamar, A. [Department of Physics, University of Peshawar, Peshawar 25000 (Pakistan)

    2015-11-15

    Linear properties of high and low frequency waves are studied in an electron-positron-ion (e-p-i) dense plasma with spin and relativity effects. In a low frequency regime, the magnetohydrodynamic (MHD) waves, namely, the magnetoacoustic and Alfven waves are presented in a magnetized plasma, in which the inertial ions are taken as spinless and non-degenerate, whereas the electrons and positrons are treated quantum mechanically due to their smaller mass. Quantum corrections associated with the spin magnetization and density correlations for electrons and positrons are re-considered and a generalized dispersion relation for the low frequency MHD waves is derived to account for relativistic degeneracy effects. On the basis of angles of propagation, the dispersion relations of different modes are discussed analytically in a degenerate relativistic plasma. Numerical results reveal that electron and positron relativistic degeneracy effects significantly modify the dispersive properties of MHD waves. Our present analysis should be useful for understanding the collective interactions in dense astrophysical compact objects, like, the white dwarfs and in atmosphere of neutron stars.

  12. Electronic states of myricetin

    DEFF Research Database (Denmark)

    Vojta, Danijela; Karlsen, Eva; Spanget-Larsen, Jens

    2017-01-01

    Myricetin (3,3',4',5,5',7'-hexahydroxyflavone) was investigated by linear dichroism spectroscopy on molecular samples partially aligned in stretched poly(vinyl alcohol) (PVA). At least five electronic transitions in the range 40000 – 20000 cm–1 were characterized with respect to their wavenumbers......, relative intensities, and transition moment directions. The observed bands were assigned to electronic transitions predicted with TD-B3LYP/6-31+G(d,p)....

  13. Electronic states of myricetin

    DEFF Research Database (Denmark)

    Vojta, Danijela; Karlsen, Eva; Spanget-Larsen, Jens

    2016-01-01

    Myricetin (3,3',4',5,5',7'-hexahydroxyflavone) was investigated by linear dichroism spectroscopy on molecular samples partially aligned in stretched poly(vinyl alcohol) (PVA). At least five electronic transitions in the range 40000 – 20000 cm–1 were characterized with respect to their wavenumbers......, relative intensities, and transition moment directions. The observed bands were assigned to electronic transitions predicted with TD-B3LYP/6-31+G(d,p)....

  14. The SU(1, 1) Perelomov number coherent states and the non-degenerate parametric amplifier

    Energy Technology Data Exchange (ETDEWEB)

    Ojeda-Guillén, D., E-mail: dojedag@ipn.mx; Granados, V. D. [Escuela Superior de Física y Matemáticas, Instituto Politécnico Nacional, Ed. 9, Unidad Profesional Adolfo López Mateos, C.P. 07738 México D. F. (Mexico); Mota, R. D. [Escuela Superior de Ingeniería Mecánica y Eléctrica, Unidad Culhuacán, Instituto Politécnico Nacional, Av. Santa Ana No. 1000, Col. San Francisco Culhuacán, Delegación Coyoacán, C.P. 04430, México D. F. (Mexico)

    2014-04-15

    We construct the Perelomov number coherent states for an arbitrary su(1, 1) group operation and study some of their properties. We introduce three operators which act on Perelomov number coherent states and close the su(1, 1) Lie algebra. By using the tilting transformation we apply our results to obtain the energy spectrum and eigenfunctions of the non-degenerate parametric amplifier. We show that these eigenfunctions are the Perelomov number coherent states of the two-dimensional harmonic oscillator.

  15. Non-Fermi liquid behavior of thermal relaxation time in degenerate electron gas

    CERN Document Server

    Sarkar, Sreemoyee

    2012-01-01

    The thermal relaxation time ($\\tau_{\\kappa_{ee}}$) for the degenerate electron plasma has been calculated by incorporating non-Fermi liquid (NFL) corrections both for the thermal conductivity and specific heat capacity. Perturbative results are presented by making expansion in $T/m_D$ with next to leading order corrections. It is seen that unlike the normal Fermi liquid (FL) result where $\\tau_{\\kappa_{ee}}\\propto 1/T^2$, NFL corrections in leading order (LO) changes the temperature dependence of $\\tau_{\\kappa_{ee}}$ to 1/T. Incorporation of the phase space correction driven by the medium modified Fermion dispersion relation increases the relaxation time further.

  16. Hydrodynamic theory of partially degenerate electron-hole fluids in semiconductors

    Science.gov (United States)

    Akbari-Moghanjoughi, M.; Eliasson, B.

    2016-10-01

    A quantum hydrodynamic theory for high-frequency electron-hole Langmuir and acoustic-like oscillations as well as static charge shielding effects in arbitrarily doped semiconductors is presented. The model includes kinetic corrections to the quantum statistical pressure and to the quantum Bohm potential for partially degenerate electrons and holes at finite temperatures. The holes contribute to the oscillations and screening effects in semiconductors in a similar manner as real particles. The dielectric functions are derived in the high-frequency limit for wave excitations and in the low-frequency limit for the study of static screening. The dispersion relation for the Langmuir and acoustic-like oscillations is examined for different parameters of doped silicon (Si). Some interesting properties and differences of electron hole dynamical behavior in N- and P-type Si are pointed out. Holes are also observed to enhance an attractive charge shielding effect when the semiconductor is highly acceptor-doped.

  17. The effect of degenerate atomic levels on the field state dissipation in two-photon Jaynes-Cummings model

    Institute of Scientific and Technical Information of China (English)

    周玲; 宋鹤山; 李崇; 郭彦青

    2003-01-01

    The dissipation of the field in the two-photon Jaynes-Cummings model (JCM) with degenerate atomic levels was studied. The initial degenerate atomic state affects the field coherence loss. When the degenerate atom is initially in an equal probability superposition state, the field coherence loss is smallest. It is found that the degeneracy of the atomic level increases the period of entanglement between the atom and the field. When the degeneracy was considered, the coherence properties of the field could be affected by the reservoir qualitatively, if a nonlinear two-photon process is involved. This is different from the dissipation of one-photon JCM with degenerate atomic levels.

  18. Behaviour of plasma with arbitrary degree of degeneration of electronic gas in a slab of conducting medium

    CERN Document Server

    Latyshev, A V

    2016-01-01

    The analytical solution of the boundary problem on behaviour (oscillations) of the electronic plasmas with arbitrary degree of degeneration of electronic gas in a slab of the conducting medium is received. The kinetic Vlasov---Boltzmann equation with integral of collisions type BGK (Bhatnagar, Gross and Krook) and Maxwell equation for electric field are applied. Mirror (reflections) boundary conditions are used.

  19. Shocks and Solitons in Ultradense Degenerate Electron-Positron-Ion Plasmas*

    Institute of Scientific and Technical Information of China (English)

    S.A. Khan; Arshad M.Mirza

    2011-01-01

    The formation and propagation of shocks and solitons are investigated in an unmagnetized, ultradense plasma containing degenerate Fermi gas of electrons and positrons, and classical ion gas by employing Thomas-Fermi model. For this purpose, a deformed Korteweg-de Vries-Berger (dKdVB) equation is derived using the reductive perturbative technique for cold, adiabatic, and isothermal ions. Localized analytical solutions of dKdVB equation in planar geometry are obtained for dispersion as well as dissipation dominant cases. For nonplanar (cylindrical and spherical) geometry, time varying numerical shock wave solution of dKdVB equation is found. Its dispersion dominant case leading to the soliton solution is also discussed. The effect of ion temperature, positron concentration and dissipation is found significant on these nonlinear structures. The relevance of the results to the systems of scientific interest is pointed out.

  20. Modified Monte Carlo method for study of electron transport in degenerate electron gas in the presence of electron–electron interactions, application to graphene

    Energy Technology Data Exchange (ETDEWEB)

    Borowik, Piotr, E-mail: pborow@poczta.onet.pl [Warsaw University of Technology, Faculty of Physics, ul. Koszykowa 75, 00-662 Warszawa (Poland); Thobel, Jean-Luc, E-mail: jean-luc.thobel@iemn.univ-lille1.fr [Institut d' Electronique, de Microélectronique et de Nanotechnologies, UMR CNRS 8520, Université Lille 1, Avenue Poincaré, CS 60069, 59652 Villeneuve d' Ascq Cédex (France); Adamowicz, Leszek, E-mail: adamo@if.pw.edu.pl [Warsaw University of Technology, Faculty of Physics, ul. Koszykowa 75, 00-662 Warszawa (Poland)

    2017-07-15

    Standard computational methods used to take account of the Pauli Exclusion Principle into Monte Carlo (MC) simulations of electron transport in semiconductors may give unphysical results in low field regime, where obtained electron distribution function takes values exceeding unity. Modified algorithms were already proposed and allow to correctly account for electron scattering on phonons or impurities. Present paper extends this approach and proposes improved simulation scheme allowing including Pauli exclusion principle for electron–electron (e–e) scattering into MC simulations. Simulations with significantly reduced computational cost recreate correct values of the electron distribution function. Proposed algorithm is applied to study transport properties of degenerate electrons in graphene with e–e interactions. This required adapting the treatment of e–e scattering in the case of linear band dispersion relation. Hence, this part of the simulation algorithm is described in details.

  1. Introduction to solid state electronics

    CERN Document Server

    Wang, FFY

    1989-01-01

    This textbook is specifically tailored for undergraduate engineering courses offered in the junior year, providing a thorough understanding of solid state electronics without relying on the prerequisites of quantum mechanics. In contrast to most solid state electronics texts currently available, with their generalized treatments of the same topics, this is the first text to focus exclusively and in meaningful detail on introductory material. The original text has already been in use for 10 years. In this new edition, additional problems have been added at the end of most chapters. These proble

  2. Charge and current density profiles of a degenerate magnetized free-electron gas near a hard wall

    NARCIS (Netherlands)

    M.M. Kettenis; L.G. Suttorp

    1998-01-01

    The charge and current densities of a completely degenerate free-electron gas in a uniform magnetic field are found to have a damped oscillatory spatial dependence near a wall that is parallel to the magnetic field. For large distances from the wall the behaviour of the associated profile functions

  3. Equation of state of the relativistic free electron gas at arbitrary degeneracy

    Science.gov (United States)

    Faussurier, Gérald

    2016-12-01

    We study the problem of the relativistic free electron gas at arbitrary degeneracy. The specific heat at constant volume and particle number CV and the specific heat at constant pressure and particle number CP are calculated. The question of equation of state is also studied. Non degenerate and degenerate limits are considered. We generalize the formulas obtained in the non-relativistic and ultra-relativistic regimes.

  4. Degenerate Density Perturbation Theory

    CERN Document Server

    Palenik, Mark C

    2016-01-01

    Fractional occupation numbers can be used in density functional theory to create a symmetric Kohn-Sham potential, resulting in orbitals with degenerate eigenvalues. We develop the corresponding perturbation theory and apply it to a system of $N_d$ degenerate electrons in a harmonic oscillator potential. The order-by-order expansions of both the fractional occupation numbers and unitary transformations within the degenerate subspace are determined by the requirement that a differentiable map exists connecting the initial and perturbed states. Using the X$\\alpha$ exchange-correlation (XC) functional, we find an analytic solution for the first-order density and first through third-order energies as a function of $\\alpha$, with and without a self-interaction correction. The fact that the XC Hessian is not positive definite plays an important role in the behavior of the occupation numbers.

  5. Degenerate density perturbation theory

    Science.gov (United States)

    Palenik, Mark C.; Dunlap, Brett I.

    2016-09-01

    Fractional occupation numbers can be used in density functional theory to create a symmetric Kohn-Sham potential, resulting in orbitals with degenerate eigenvalues. We develop the corresponding perturbation theory and apply it to a system of Nd degenerate electrons in a harmonic oscillator potential. The order-by-order expansions of both the fractional occupation numbers and unitary transformations within the degenerate subspace are determined by the requirement that a differentiable map exists connecting the initial and perturbed states. Using the X α exchange-correlation (XC) functional, we find an analytic solution for the first-order density and first- through third-order energies as a function of α , with and without a self-interaction correction. The fact that the XC Hessian is not positive definite plays an important role in the behavior of the occupation numbers.

  6. Degenerate ground states and multiple bifurcations in a two-dimensional q-state quantum Potts model.

    Science.gov (United States)

    Dai, Yan-Wei; Cho, Sam Young; Batchelor, Murray T; Zhou, Huan-Qiang

    2014-06-01

    We numerically investigate the two-dimensional q-state quantum Potts model on the infinite square lattice by using the infinite projected entangled-pair state (iPEPS) algorithm. We show that the quantum fidelity, defined as an overlap measurement between an arbitrary reference state and the iPEPS ground state of the system, can detect q-fold degenerate ground states for the Z_{q} broken-symmetry phase. Accordingly, a multiple bifurcation of the quantum ground-state fidelity is shown to occur as the transverse magnetic field varies from the symmetry phase to the broken-symmetry phase, which means that a multiple-bifurcation point corresponds to a critical point. A (dis)continuous behavior of quantum fidelity at phase transition points characterizes a (dis)continuous phase transition. Similar to the characteristic behavior of the quantum fidelity, the magnetizations, as order parameters, obtained from the degenerate ground states exhibit multiple bifurcation at critical points. Each order parameter is also explicitly demonstrated to transform under the Z_{q} subgroup of the symmetry group of the Hamiltonian. We find that the q-state quantum Potts model on the square lattice undergoes a discontinuous (first-order) phase transition for q=3 and q=4 and a continuous phase transition for q=2 (the two-dimensional quantum transverse Ising model).

  7. How a Quantum Chemical Topology Analysis Enables Prediction of Electron Density Transfers in Chemical Reactions. The Degenerated Cope Rearrangement of Semibullvalene.

    Science.gov (United States)

    González-Navarrete, Patricio; Andrés, Juan; Berski, Slawomir

    2012-09-06

    Recent works on the reaction mechanism for the degenerated Cope rearrangement (DCR) of semibullvalene (SBV) in the ground state prompted us to investigate this complex rearrangement in order to assign experimentally observed contrast features in the simulated electron distribution. We present a joint use of the electron localization function (ELF) and Thom's catastrophe theory (CT) as a powerful tool to analyze the electron density transfers along the DCR. The progress of the reaction is monitored by the structural stability domains of the topology of ELF, while the change between them is controlled by turning points derived from CT. The ELF topological analysis shows that the DCR of SBV corresponds to asynchronous electron density rearrangement taking place in three consecutive stages. We show how the pictures anticipated by drawing Lewis structures of the rearrangement correlate with the experimental data and time-dependent quantum description of the process.

  8. Decoupling of Degenerate Positive-norm States in Witten's String Field Theory

    CERN Document Server

    Kao, H C; Kao, Hsien-Chung; Lee, Jen-Chi

    2003-01-01

    We show that the degenerate positive-norm physical propagating fields of the open bosonic string can be gauged to the higher rank fields at the same mass level. As a result, their scattering amplitudes can be determined from those of the higher spin fields. This phenomenon arises from the existence of two types of zero-norm states with the same Young representations as that of the degenerates positive-norm states in the old covariant first quantized (OCFQ) spectrum. It is demonstrated by using the lowest order gauge transformation of Witten's string field theory (WSFT) up to the fourth massive level (spin-five), and is found to be consistent with conformal field theory calculation based on the first quantized generalized sigma-model approach. In particular, on-shell conditions of zero-norm states in OCFQ stringy gauge transformation are found to correspond, in a one-to-one manner, to the background ghost fields in off-shell gauge transformation of WSFT. The implication of decoupling of scalar modes on Sen's c...

  9. Decoupling of degenerate positive-norm states in Witten's string field theory

    Science.gov (United States)

    Kao, Hsien-Chung; Lee, Jen-Chi

    2003-04-01

    We show that the degenerate positive-norm physical propagating fields of the open bosonic string can be gauged to the higher rank fields at the same mass level. As a result, their scattering amplitudes can be determined from those of the higher spin fields. This phenomenon arises from the existence of two types of zero-norm states with the same Young representations as those of the degenerate positive-norm states in the old covariant first quantized (OCFQ) spectrum. This is demonstrated by using the lowest order gauge transformation of Witten’s string field theory (WSFT) up to the fourth massive level (spin-five), and is found to be consistent with conformal field theory calculation based on the first quantized generalized sigma-model approach. In particular, on-shell conditions of zero-norm states in the OCFQ stringy gauge transformation are found to correspond, in a one-to-one manner, to the background ghost fields in off-shell gauge transformation of WSFT. The implication of decoupling of scalar modes on Sen’s conjectures is also briefly discussed.

  10. Split degenerate states and stable p+ip phases from holography

    CERN Document Server

    Nie, Zhang-Yu; Zeng, Hua-Bi; Zeng, Hui

    2016-01-01

    In this paper, we investigate the p+$i$p superfluid phases in the complex vector field holographic p-wave model. We find that in the probe limit, the p+$i$p phase and the p-wave phase are equally stable, hence the p and $i$p orders can be mixed with an arbitrary ratio to form more general p+$\\lambda i$p phases, which are also equally stable with the p-wave and p+$i$p phases. As a result, the system possesses a degenerate thermal state in the superfluid region. We further study the case with considering the back reaction on the metric, and find that the degenerate ground states will be separated into p-wave and p+$i$p phases, and the p-wave phase is more stable. Finally, due to the different critical temperature of the zeroth order phase transitions from p-wave and p+$i$p phases to the normal phase, there is a temperature region where the p+$i$p phase exists but the p-wave phase doesn't. In this region we find the stable p+$i$p phase for the first time.

  11. Split degenerate states and stable p+ip phases from holography

    Energy Technology Data Exchange (ETDEWEB)

    Nie, Zhang-Yu; Zeng, Hui [Kunming University of Science and Technology, Kunming (China); Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing (China); Pan, Qiyuan [Hunan Normal Univ., Key Lab. of Low Dimensional Quantum Structures and Quantum Control of Ministry of Education, and Synergetic Innovation Center for Quantum Effects and Applications, Dept. of Physics, Changsha (China); Zeng, Hua-Bi [Yangzhou University, College of Physics Science and Technology, Yangzhou, Jiangsu (China); National Central University, Department of Physics, Chungli (China)

    2017-02-15

    In this paper, we investigate the p+ip superfluid phases in the complex vector field holographic p-wave model. We find that in the probe limit, the p+ip phase and the p-wave phase are equally stable, hence the p and ip orders can be mixed with an arbitrary ratio to form more general p+λip phases, which are also equally stable with the p-wave and p+ip phases. As a result, the system possesses a degenerate thermal state in the superfluid region. We further study the case on considering the back-reaction on the metric, and we find that the degenerate ground states will be separated into p-wave and p+ip phases, and the p-wave phase is more stable. Finally, due to the different critical temperature of the zeroth order phase transitions from p-wave and p+ip phases to the normal phase, there is a temperature region where the p+ip phase exists but the p-wave phase does not. In this region we find the stable holographic p+ip phase for the first time. (orig.)

  12. Electronic Defect States in Polyaniline.

    Science.gov (United States)

    Ginder, John Matthew

    The electronic defect states of the conducting polymer polyaniline are studied by a variety of magnetic and optical techniques. The insulating emeraldine base form (EB) of polyaniline can be converted to the conducting emeraldine salt form (ES) by treatment with aqueous acids such as HCl. This "protonic acid doping" process occurs via the bonding of protons to the polymer chain, without altering the number of chain electrons. Magnetic susceptibility studies reveal that a roughly linear growth of the Pauli paramagnetic susceptibility, and an increase in the density of Curie-like spins, accompanies this conversion. Consequently, the protonation-induced defects are mainly spin-1/2 polarons; further, the linear growth of the Pauli susceptibility suggests that fully protonated regions--metallic islands --grow with increasing doping level. The electronic structure of the metallic phase is proposed to be that of a polaron lattice with electronic bandwidth ~0.4 eV and polaron decay length ~2 A. The defects which accomodate excess charge in EB were also studied by near-steady-state photoinduced absorption experiments. Upon photoexcitation into the 2 eV absorption band in EB, several photoinduced features evolved. Induced bleachings of the existing transitions at 2.0 and 3.7 eV were observed; induced absorptions were found at 0.9, 1.4, and 3.0 eV. The 2.0 eV bleaching is consistent with the production of molecular charge-transfer excitons, which may relax to a different ring conformation causing long-lived bleaching, or to two separate charges on a single chain. Indeed, the induced absorptions at 1.4 and 3.0 eV are, by analogy with similar protonation -induced absorptions and by their bimolecular recombination kinetics, assigned to photoexcited polarons. Light-induced electron spin resonance experiments confirm the presence of photogenerated spins upon pumping into the excitonic absorption. Near-steady-state photoconductivity measurements on EB reveal a very small induced

  13. On enhanced corrections from quasi-degenerate states to heavy quarkonium observables

    CERN Document Server

    Kiyo, Yuichiro; Sumino, Yukinari

    2016-01-01

    It is well known that in perturbation theory existence of quasi-degenerate states can rearrange the order counting. For a heavy quarkonium system, naively, enhanced effects ($l$-changing mixing effects) could contribute already to the first-order and third-order corrections to the wave function and the energy level, respectively, in expansion in $\\alpha_s$. We present a formulation and note that the corresponding (lowest-order) corrections vanish due to absence of the relevant off-diagonal matrix elements. As a result, in the quarkonium energy level and leptonic decay width, the enhanced effects are expected to appear, respectively, in the fifth- and fourth-order corrections and beyond.

  14. The initial and final state of SNe Ia from the single degenerate model

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Although type Ia supernovae(SNe Ia) show their importance in many astrophysical fields,the nature of the progenitors of SNe Ia is still unclear.At present,the single degenerate(SD) model is presented to be a very likely progenitor model.Following the comprehensive SD model developed by Meng & Yang(2010),we show the initial and final state of the progenitor systems of SNe Ia in an orbital period—the secondary mass(log Pi,M2i) plane.Our results may explain the location of some supersoft X-ray sources and recurrent novae in the(log Pi,M2i) plane,and be helpful to judge whether an SD system is the potential progenitor system of SNe Ia,as well as to simulate the interaction between SN ejecta and its companion.

  15. Targeting excited states in all-trans polyenes with electron-pair states

    Science.gov (United States)

    Boguslawski, Katharina

    2016-12-01

    Wavefunctions restricted to electron pair states are promising models for strongly correlated systems. Specifically, the pair Coupled Cluster Doubles (pCCD) ansatz allows us to accurately describe bond dissociation processes and heavy-element containing compounds with multiple quasi-degenerate single-particle states. Here, we extend the pCCD method to model excited states using the equation of motion (EOM) formalism. As the cluster operator of pCCD is restricted to electron-pair excitations, EOM-pCCD allows us to target excited electron-pair states only. To model singly excited states within EOM-pCCD, we modify the configuration interaction ansatz of EOM-pCCD to contain also single excitations. Our proposed model represents a simple and cost-effective alternative to conventional EOM-CC methods to study singly excited electronic states. The performance of the excited state models is assessed against the lowest-lying excited states of the uranyl cation and the two lowest-lying excited states of all-trans polyenes. Our numerical results suggest that EOM-pCCD including single excitations is a good starting point to target singly excited states.

  16. Analytical model of electron transport in polycrystalline, degenerately doped ZnO films

    Energy Technology Data Exchange (ETDEWEB)

    Bikowski, André, E-mail: andre.bikowski@helmholtz-berlin.de; Ellmer, Klaus [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Institute for Solar Fuels, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany)

    2014-10-14

    An analytical description of the charge carrier transport, valid for non-degenerated and degenerated semiconductors, was developed, critically reviewed, and fitted to the temperature-dependent Hall mobility data of magnetron sputtered, degenerately doped ZnO:Al films. Our extended model for grain boundary scattering in semiconductors of arbitrary degeneracy is based on previous models from literature and suitable to describe the Hall mobility of the carriers as a function of the free carrier concentration and the temperature at the same time. It is mathematically simple enough for a fast fit procedure, which is not possible with most of the previous models. Applying a combined transport model consisting of ionized impurity scattering, phonon scattering, and grain boundary scattering in degenerate semiconductors, we were able to determine the trap density at the grain boundaries Nₜ ≈ 3×10¹³ to 5×10¹³cm⁻² and the deformation potential E{sub ac} in the range of 5 eV to 9 eV depending on the details of the transport model.

  17. Soliton and Shock Profiles in Electron-positron-ion Degenerate Plasmas for Both Nonrelativistic and Ultra-Relativistic Limits

    Science.gov (United States)

    Haider, Md. Masum

    2016-12-01

    An attempt has been taken to find a general equation for degenerate pressure of Chandrasekhar and constants, by using which one can study nonrelativistic as well as ultra-relativistic cases instead of two different equations and constants. Using the general equation, ion-acoustic solitary and shock waves have been studied and compared, numerically and graphically, the two cases in same situation of electron-positron-ion plasmas. Korteweg-de Vries (KdV) and KdV-Barger equations have been derived as well as their solution to study the soliton and shock profiles, respectively.

  18. Multi-bits memory cell using degenerated magnetic states in a synthetic antiferromagnetic reference layer

    Energy Technology Data Exchange (ETDEWEB)

    Fukushima, Akio, E-mail: akio.fukushima@aist.go.jp; Yakushiji, Kay; Konoto, Makoto; Kubota, Hitoshi; Imamura, Hiroshi; Yuasa, Shinji

    2016-02-15

    We newly developed a magnetic memory cell having multi-bit function. The memory cell composed of a perpendicularly magnetized magnetic tunnel junction (MB-pMTJ) and a synthetic antiferromagnetic reference layer. The multi-bit function is realized by combining the freedom of states of the magnetic free layer and that in the antiferromagnetically coupled reference layer. The structure of the reference layer is (FeB/Ta/[Co/Pt]{sub 3})/Ru/([Co/Pt]{sub 6}); the top and the bottom layers are coupled through Ru layer where the reference layer has two degrees of freedom of a head-to-head and a bottom-to-bottom magnetic configuration. A four-state memory cell is realized by combination of both degrees of freedom. The states in the reference layer however is hardly detected by the total resistance of MB-pMTJ, because the magnetoresistance effect in the reference layer is negligibly small. That implies that the resistance values for the different states in the reference layer are degenerated. On the other hand, the two different states in the reference layer bring different stray fields to the free layer, which generate two different minor loop with different switching fields. Therefore, the magnetic states in the reference layer can be differentiated by the two-step reading, before and after applying the appropriately pulsed magnetic field which can identify the initial state in the reference layer. This method is similar to distinguishing different magnetic states in an in-plane magnetized spin-valve element. We demonstrated that four different states in the MB-pMTJ can be distinguished by the two-step read-out. The important feature of the two-step reading is a practically large operation margins (large resistance change in reading) which is equal to that of a single MTJ. Even though the two-step reading is a destructive method by which 50% of the magnetic state is changed, this MB-pMTJ is promising for high density non-volatile memory cell with a minor cost of operation

  19. Health State Utility Values for Age-Related Macular Degeneration: Review and Advice.

    Science.gov (United States)

    Butt, Thomas; Tufail, Adnan; Rubin, Gary

    2017-02-01

    Health state utility values are a major source of uncertainty in economic evaluations of interventions for age-related macular degeneration (AMD). This review identifies and critiques published utility values and methods for eliciting de novo utility values in AMD. We describe how utility values have been used in healthcare decision making and provide guidance on the choice of utility values for future economic evaluations for AMD. Literature was searched using PubMed, and health technology assessments (HTA) were searched using HTA agency websites to identify articles reporting utility values or approaches to derive utility values in AMD and articles applying utilities for use in healthcare decision making relating to treatments for AMD. A total of 70 studies qualified for data extraction, 22 of which were classified as containing utility values and/or elicitation methods, and 48 were classified as using utility values in decision making. A large number of studies have elicited utility values for AMD, although those applied to decision making have focused on a few of these. There is an appreciation of the challenges in the measurement and valuation of health states, with recent studies addressing challenges such as the insensitivity of generic health-related quality of life (HRQoL) questionnaires and utility in the worse-seeing eye. We would encourage careful consideration when choosing utility values in decision making and an explicit critique of their applicability to the decision problem.

  20. Ion-acoustic rogue waves and breathers in relativistically degenerate electron-positron plasmas

    Science.gov (United States)

    Abdikian, A.; Ismaeel, S.

    2017-08-01

    In this paper, we employ a weakly relativistic fluid model to study the nonlinear amplitude modulation of electrostatic waves in an unmagnetized electron-positron-ion plasma. It is assumed that the degeneracy pressure law for electrons and positrons follows the Chandrasekhar limit of state whereas ions are warm and classical. The hydrodynamic approach along with the perturbation method have been applied to obtain the corresponding nonlinear Schrödinger equation (NLSE) in which nonlinearity is in balance with the dispersive terms. Using the NLSE, we could evaluate the modulational instability to show that various types of localized ion acoustic excitations exist in the form of either bright-type envelope solitons or dark-type envelope solitons. The regions of the stable and unstable envelope wave have been confined punctually for various regimes. Furthermore, it is proposed that the exact solutions of the NLSE for breather waves are the rogue waves (RWs), Akhmediev breather (AB), and Kuznetsov-Ma breather (KM) soliton. In order to show that the characteristics of breather structures is influenced by the plasma parameters (namely, relativistic parameter, positron concentration, and ionic temperature), the relevant numerical analysis of the NLSE is examined. In particular, it is observed that by increasing the values of the mentioned plasma parameters, the amplitude of the RWs will be decreased. Our results help researchers to explain the formation and dynamics of nonlinear electrostatic excitations in super dense astrophysical regimes.

  1. Kinetic Temperature and Electron Density Measurement in an Inductively Coupled Plasma Torch using Degenerate Four-Wave Mixing

    Science.gov (United States)

    Schafer, Julia; Lyons, Wendy; Tong, WIlliam G.; Danehy, Paul M.

    2008-01-01

    Laser wave mixing is presented as an effective technique for spatially resolved kinetic temperature measurements in an atmospheric-pressure radio-frequency inductively-coupled plasma. Measurements are performed in a 1 kW, 27 MHz RF plasma using a continuous-wave, tunable 811.5-nm diode laser to excite the 4s(sup 3)P2 approaches 4p(sup 3)D3 argon transition. Kinetic temperature measurements are made at five radial steps from the center of the torch and at four different torch heights. The kinetic temperature is determined by measuring simultaneously the line shape of the sub-Doppler backward phase-conjugate degenerate four-wave mixing and the Doppler-broadened forward-scattering degenerate four-wave mixing. The temperature measurements result in a range of 3,500 to 14,000 K+/-150 K. Electron densities measured range from 6.1 (+/-0.3) x 10(exp 15)/cu cm to 10.1 (+/-0.3) x 10(exp 15)/cu cm. The experimental spectra are analyzed using a perturbative treatment of the backward phase-conjugate and forward-geometry wave-mixing theory. Stark width is determined from the collisional broadening measured in the phase-conjugate geometry. Electron density measurements are made based on the Stark width. The kinetic temperature of the plasma was found to be more than halved by adding deionized water through the nebulizer.

  2. Persistent inflammatory state after photoreceptor loss in an animal model of retinal degeneration.

    Science.gov (United States)

    Noailles, Agustina; Maneu, Victoria; Campello, Laura; Gómez-Vicente, Violeta; Lax, Pedro; Cuenca, Nicolás

    2016-09-14

    Microglia act as the resident immune cells of the central nervous system, including the retina. In response to damaging stimuli microglia adopt an activated state, which can progress into a phagocytic phenotype and play a potentially harmful role by eliciting the expression and release of pro-inflammatory cytokines. The aim of the present study was to assess longitudinal changes in microglia during retinal degeneration in the homozygous P23H rat, a model of dominant retinitis pigmentosa. Microglial phenotypes, morphology and density were analyzed by immunohistochemistry, flow cytometry, and cytokine antibody array. In addition, we performed electroretinograms to evaluate the retinal response. In the P23H retina, sclera, choroid and ciliary body, inflammatory cells increased in number compared with the control at all ages analyzed. As the rats became older, a higher number of amoeboid MHC-II(+) cells were observed in the P23H retina, which correlated with an increase in the expression of pro-inflammatory cytokines. These findings suggest that, in the P23H model, retinal neuroinflammation persists throughout the rat's life span even after photoreceptor depletion. Therefore, the inclusion of anti-inflammatory drugs at advanced stages of the neurodegenerative process may provide better retinal fitness so the remaining cells could still be used as targets of cellular or gene therapies.

  3. A theoretical scheme for generation of Gazeau-Klauder coherent states via intensity-dependent degenerate Raman interaction

    CERN Document Server

    Yadollahi, F; 10.1016/j.optcom.2010.09.062

    2010-01-01

    A theoretical scheme is presented for generating Gazeau-Klauder coherent states(GKCSs) via the generalization of degenerate Raman interaction with coupling constant to intensity-dependent coupling. Firstly, we prove that in the intensity-dependent degenerate Raman interaction, under particular conditions, the modified efective Hamiltonian can be used instead of Hamiltonian in the interaction picture, for describing the atom-field interaction. We suppose that the cavity field is initially prepared in a nonlinear CS, which is not temporally stable. As we will observe, after the occurrence of the interaction between atom and field, the generated state involves a superposition of GKCSs which are temporally stable and initial nonlinear CS. Under specific conditions which may be prepared, the generated state just includes GKCS. So, in this way we produced the GKCS, successfully.

  4. 中子星中简并电子气体的临界磁化%Critical magnetization of degenerate electronic system in neutron star

    Institute of Scientific and Technical Information of China (English)

    王兆军; 吕国梁; 朱春花; 张军

    2011-01-01

    Degenerate electronic Fermi system with intrinsic (spin) magnetic moment and Landau diamagnetic moment of the electrons in a neutron star interior is magnetized. Taking the magnetizing effect into consideration, the magnetic induced equation must be changed: the resulting equation has an additional magnetic induction term and a magnetic diffusion coefficient that is different from the original one for plasma. When effective magnetic diffusion coefficient equals critical value (zero) the fully degenerate electronic system approaches a new phase. In this phase, the magnetic field of neutron star will become very large until other mechanisms suppress the increasing of the field in the neutron star lowered crust.For a stable or de Hass-Van Alphen oscillatory state, it is possible for the neutron star to become a magnetar.%中子星内部的电子处于高度简并或完全简并的状态,电子磁矩(包括内禀磁矩和朗道反磁矩)的取向不是随机的,而是呈现出极强的磁化行为.考虑了磁化后的磁诱导方程要改写,改写后的方程添加了新的磁场生成项,更重要的改变是等效磁扩散系数变小了(顺磁情况),在临界情况(等效扩散系数等于零),磁场在磁生成项的作用下增加直到抑制机理出现,朗道反磁矩就是在这个时候变得越来越重要.磁场增加的最终结果使中子星局域磁场成为振荡的,对外看来有可能成为磁星.

  5. Electron-electron bound states in Maxwell-Chern-Simons-Proca QED{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Belich, H.; Helayel-Neto, J.A. [Grupo de Fisica Teorica Jose Leite Lopes, Petropolis, RJ (Brazil)]|[Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil). Coordenacao de Teoria de Campos e Particulas]. E-mail: belich@cbpf.br; helayel@gft.ucp.br; Del Cima, O.M. [Grupo de Fisica Teorica Jose Leite Lopes, Petropolis, RJ (Brazil)]. E-mail: delcima@gft.ucp.br; Ferreira, M.M. Jr. [Grupo de Fisica Teorica Jose Leite Lopes, Petropolis, RJ (Brazil)]|[Maranhao Univ., Sao Luis, MA (Brazil). Dept. de Fisica]. E-mail: manojr@cbpf.br

    2002-10-01

    We start from a parity-breaking MCS QED{sub 3} model with spontaneous breaking of the gauge symmetry as a framework for evaluation of the electron-electron interaction potential and for attainment of numerical values for the e{sup -}e{sup -} - bound state. Three expressions (V{sub eff{down_arrow}}{sub {down_arrow}}, V{sub eff{down_arrow}}{sub {up_arrow}}, V{sub eff{down_arrow}}{sub {down_arrow}}) are obtained according to the polarization state of the scattered electrons. In an energy scale compatible with condensed matter electronic excitations, these potentials become degenerated. The resulting potential is implemented in the Schroedinger equation and the variational method is applied to carry out the electronic binding energy. The resulting binding energies in the scale of 10-100 meV and a correlation length in the scale of 10 - 30 Angstrom are possible indications that the MCS-QED{sub 3} model adopted may be suitable to address an eventual case of e{sup -}e{sup -} pairing in the presence of parity-symmetry breakdown. The data analyzed here suggest an energy scale of 10-100 meV to fix the breaking of the U(1)-symmetry. (author)

  6. The ion potential in warm dense matter: wake effects due to streaming degenerate electrons

    CERN Document Server

    Moldabekov, Zhandos; Bonitz, Michael; Ramazano, Tlekkabul

    2014-01-01

    The effective dynamically screened potential of a classical ion in a stationary flowing quantum plasma at finite temperature is investigated. This is a key quantity for thermodynamics and transport of dense plasmas in the warm dense matter regime. To compute this potential a linear response description of the electrons via the Mermin dielectric function is utilized with electron-electron collisions taken into account via a relaxation time approximation. The ion potential strongly deviates from the static Yukawa potential exhibiting the familiar oscillatory structure with attractive minima (wake potential). This potential is analyzed in detail for high-density plasmas with values of the Brueckner parameter in the range $0.1 \\le r_s \\le 1$, for a broad range of plasma temperature and electron streaming velocity. It is shown that wake effects become weaker with increasing temperature of the electrons. Finally, we obtain the minimal electron streaming velocity for which attraction between ions occurs. This veloci...

  7. Manipulation of electronic states and photonic states in nanosilicon

    Science.gov (United States)

    Huang, Wei-Qi; Huang, Zhong-Mei; Miao, Xin-Jian; Qin, Chao-Jian; Lv, Quan

    2014-04-01

    On different size hierarchy, period symmetry provides energy band structure, and symmetry breaking produces localized states in gap, for example nanostructures open electronic band gap by confining electrons, but defects in symmetry system produce localized electronic states in gap. The experimental results demonstrate that controlling localized states in gap by changing passivation environment can manipulate emission wavelength, such as stimulated emission at 700 nm due to oxygen passivation and enhanced electroluminescence near 1600 nm due to ytterbium passivation on nanosilicon. In same way, modulating filling fraction and period parameters in photonic crystal enlarges width of photonic band gap (PBG) by confining photons. Symmetry breaking due to defects is effective in manipulating photonic states. New applications for selecting modes in nanolaser and for building single photon source in quantum information are explored by manipulating and coupling between electronic states and photonic states.

  8. Solid-state physics for electronics

    CERN Document Server

    Moliton, Andre

    2009-01-01

    Describing the fundamental physical properties of materials used in electronics, the thorough coverage of this book will facilitate an understanding of the technological processes used in the fabrication of electronic and photonic devices. The book opens with an introduction to the basic applied physics of simple electronic states and energy levels. Silicon and copper, the building blocks for many electronic devices, are used as examples. Next, more advanced theories are developed to better account for the electronic and optical behavior of ordered materials, such as diamond, and disordered ma

  9. Health state utilities in patients with diabetic retinopathy, diabetic macular oedema and age-related macular degeneration: a systematic review

    OpenAIRE

    Poku, E.; Brazier, J; Carlton, J; Ferreira, A.

    2013-01-01

    Background\\ud \\ud Health state utility values (HSUVs) are important in the assessment of the cost effectiveness of new interventions. In the case of visual conditions, models generally tend have tended to be built around a set of health states defined by visual acuity (VA). The aim of this review was to assess the impact of VA on HSUVs in patients with diabetic retinopathy, diabetic macular oedema or age-related macular degeneration.\\ud \\ud Methods\\ud \\ud A systematic literature search was un...

  10. Ion potential in warm dense matter: wake effects due to streaming degenerate electrons.

    Science.gov (United States)

    Moldabekov, Zhandos; Ludwig, Patrick; Bonitz, Michael; Ramazanov, Tlekkabul

    2015-02-01

    The effective dynamically screened potential of a classical ion in a stationary flowing quantum plasma at finite temperature is investigated. This is a key quantity for thermodynamics and transport of dense plasmas in the warm-dense-matter regime. This potential has been studied before within hydrodynamic approaches or based on the zero temperature Lindhard dielectric function. Here we extend the kinetic analysis by including the effects of finite temperature and of collisions based on the Mermin dielectric function. The resulting ion potential exhibits an oscillatory structure with attractive minima (wakes) and, thus, strongly deviates from the static Yukawa potential of equilibrium plasmas. This potential is analyzed in detail for high-density plasmas with values of the Brueckner parameter in the range 0.1≤r(s)≤1 for a broad range of plasma temperature and electron streaming velocity. It is shown that wake effects become weaker with increasing temperature of the electrons. Finally, we obtain the minimal electron streaming velocity for which attraction between ions occurs. This velocity turns out to be less than the electron Fermi velocity. Our results allow for reliable predictions of the strength of wake effects in nonequilibrium quantum plasmas with fast streaming electrons showing that these effects are crucial for transport under warm-dense-matter conditions, in particular for laser-matter interaction, electron-ion temperature equilibration, and stopping power.

  11. Nearly free electron states in MXenes

    Science.gov (United States)

    Khazaei, Mohammad; Ranjbar, Ahmad; Ghorbani-Asl, Mahdi; Arai, Masao; Sasaki, Taizo; Liang, Yunye; Yunoki, Seiji

    2016-05-01

    Using a set of first-principles calculations, we studied the electronic structures of two-dimensional transition metal carbides and nitrides, so called MXenes, functionalized with F, O, and OH. Our projected band structures and electron localization function analyses reveal the existence of nearly free electron (NFE) states in a variety of MXenes. The NFE states are spatially located just outside the atomic structure of MXenes and are extended parallel to the surfaces. Moreover, we found that the OH-terminated MXenes offer the NFE states energetically close to the Fermi level. In particular, the NFE states in some of the OH-terminated MXenes, such as T i2C (OH) 2,Z r2C (OH) 2,Z r2N (OH) 2,H f2C (OH) 2,H f2N (OH) 2,N b2C (OH) 2 , and T a2C (OH) 2 , are partially occupied. This is in remarkable contrast to graphene, graphane, and Mo S2 , in which their NFE states are located far above the Fermi level and thus they are unoccupied. As a prototype of such systems, we investigated the electron transport properties of H f2C (OH) 2 and found that the NFE states in H f2C (OH) 2 provide almost perfect transmission channels without nuclear scattering for electron transport. Our results indicate that these systems might find applications in nanoelectronic devices. Our findings provide new insights into the unique electronic band structures of MXenes.

  12. Theoretical Treatment of Degenerate Electron Exchange and Dimerization in Spin Dynamics of Radical Ion Pairs as Observed by Magnetic Field Effects

    NARCIS (Netherlands)

    Ivanov, K.L.; Stass, D.V.; Kalneus, E.V.; Kaptein, R.; Lukzen, N.K.

    2013-01-01

    In this work we have compared manifestations of degenerate electron exchange (DEE) and dimerization reactions in MARY (magnetically affected reaction yield) spectroscopy and time-resolved magnetic field effects (TR-MFE) of radical ion pairs (RIPs). It is shown that dimerization results in phase and

  13. Minimization principle for non degenerate excited states (independent of orthogonality to lower lying known approximants)

    CERN Document Server

    Bacalis, Naoum C

    2016-01-01

    The computation of small concise and comprehensible excited state wave functions is needed because many electronic processes occur in excited states. But since the excited energies are saddle points in the Hilbert space of wave functions, the standard computational methods, based on orthogonality to lower lying approximants, resort to huge and incomprehensible wave functions, otherwise, the truncated wave function is veered away from the exact. The presented variational principle for excited states, Fn, is demonstrated to lead to the correct excited eigenfunction in necessarily small truncated spaces. Using Hylleraas coordinates for He 1S 1s2s, the standard method based on the theorem of Hylleraas - Unheim, and MacDonald, yields misleading main orbitals 1s1s' and needs a series expansion of 27 terms to be corrected, whereas minimizing Fn goes directly to the corect main orbitals, 1s2s, and can be adequately improved by 8 terms. Fn uses crude, rather inaccurate, lower lying approximants and does not need ortho...

  14. Plasmon spectrum of degenerated electron gas. T=0 Green function method. Detailed pedagogical derivation

    OpenAIRE

    Mishonov, Todor M.; Atanasova, Liliya A.; Ivanov, Peter A; Valchev, Tihomir I.; Arnaudov, Dimo L.

    2003-01-01

    Plasmon spectrum and polarization operator of 1, 2, and 3 dimensional electron gas are calculated by T=0 Green function technique. It is shown that this field theory method gives probably the simplest pedagogical derivation of the statistical problem for the response function. The explanation is complimentary to the standard courses on condensed matter and plasma physics of the level of IX volume of Landau-Lifshitz encyclopedia on theoretical physics.

  15. Solid-state electronic devices an introduction

    CERN Document Server

    Papadopoulos, Christo

    2014-01-01

    A modern and concise treatment of the solid state electronic devices that are fundamental to electronic systems and information technology is provided in this book. The main devices that comprise semiconductor integrated circuits are covered in a clear manner accessible to the wide range of scientific and engineering disciplines that are impacted by this technology. Catering to a wider audience is becoming increasingly important as the field of electronic materials and devices becomes more interdisciplinary, with applications in biology, chemistry and electro-mechanical devices (to name a few) becoming more prevalent. Updated and state-of-the-art advancements are included along with emerging trends in electronic devices and their applications. In addition, an appendix containing the relevant physical background will be included to assist readers from different disciplines and provide a review for those more familiar with the area. Readers of this book can expect to derive a solid foundation for understanding ...

  16. Ion-Acoustic Envelope Modes in a Degenerate Relativistic Electron-Ion Plasma

    CERN Document Server

    McKerr, M; Kourakis, I

    2016-01-01

    A self-consistent relativistic two-fluid model is proposed for one-dimensional electron-ion plasma dynamics. A multiple scales perturbation technique is employed, leading to an evolution equation for the wave envelope, in the form of a nonlinear Schr\\"odinger type equation (NLSE). The inclusion of relativistic effects is shown to introduce density-dependent factors, not present in the non-relativistic case - in the conditions for modulational instability. The role of relativistic effects on the linear dispersion laws and on envelope soliton solutions of the NLSE is discussed.

  17. Spin eigen-states of Dirac equation for quasi-two-dimensional electrons

    Energy Technology Data Exchange (ETDEWEB)

    Eremko, Alexander, E-mail: eremko@bitp.kiev.ua [Bogolyubov Institute for Theoretical Physics, Metrologichna Sttr., 14-b, Kyiv, 03680 (Ukraine); Brizhik, Larissa, E-mail: brizhik@bitp.kiev.ua [Bogolyubov Institute for Theoretical Physics, Metrologichna Sttr., 14-b, Kyiv, 03680 (Ukraine); Loktev, Vadim, E-mail: vloktev@bitp.kiev.ua [Bogolyubov Institute for Theoretical Physics, Metrologichna Sttr., 14-b, Kyiv, 03680 (Ukraine); National Technical University of Ukraine “KPI”, Peremohy av., 37, Kyiv, 03056 (Ukraine)

    2015-10-15

    Dirac equation for electrons in a potential created by quantum well is solved and the three sets of the eigen-functions are obtained. In each set the wavefunction is at the same time the eigen-function of one of the three spin operators, which do not commute with each other, but do commute with the Dirac Hamiltonian. This means that the eigen-functions of Dirac equation describe three independent spin eigen-states. The energy spectrum of electrons confined by the rectangular quantum well is calculated for each of these spin states at the values of energies relevant for solid state physics. It is shown that the standard Rashba spin splitting takes place in one of such states only. In another one, 2D electron subbands remain spin degenerate, and for the third one the spin splitting is anisotropic for different directions of 2D wave vector.

  18. Acoustic solitons in a magnetized quantum electron-positron-ion plasma with relativistic degenerate electrons and positrons pressure

    Science.gov (United States)

    Abdikian, A.; Mahmood, S.

    2016-12-01

    The obliquely nonlinear acoustic solitary propagation in a relativistically quantum magnetized electron-positron (e-p) plasma in the presence of the external magnetic field as well as the stationary ions for neutralizing the plasma background was studied. By considering the dynamic of the fluid e-p quantum and by using the quantum hydrodynamics model and the standard reductive perturbation technique, the Zakharov-Kuznetsov (ZK) equation is derived for small but finite amplitude waves and the solitary wave solution for the parameters relevant to dense astrophysical objects such as white dwarf stars is obtained. The numerical results show that the relativistic effects lead to propagate the electrostatic bell shape structures in quantum e-p plasmas like those in classical pair-ion or pair species for relativistic plasmas. It is also observed that by increasing the relativistic effects, the amplitude and width of the e-p acoustic solitary wave will decrease. In addition, the wave amplitude increases as positron density decreases in magnetized e-p plasmas. It is indicated that by increasing the strength of the magnetic field, the width of the soliton reduces and it becomes sharper. At the end, we have analytically and numerically shown that the pulse soliton solution of the ZK equation is unstable and have traced the dependence of the instability growth rate on electron density. It is found that by considering the relativistic pressure, the instability of the soliton pulse can be reduced. The results can be useful to study the obliquely nonlinear propagation of small amplitude localized structures in magnetized quantum e-p plasmas and be applicable to understand the particle and energy transport mechanism in compact stars such as white dwarfs, where the effects of relativistic electron degeneracy become important.

  19. Electronic Ground State of Higher Acenes

    CERN Document Server

    Jiang, De-en

    2007-01-01

    We examine the electronic ground state of acenes with different number of fused benzene rings (up to 40) by using first principles density functional theory. Their properties are compared with those of infinite polyacene. We find that the ground state of acenes that consist of more than seven fused benzene rings is an antiferromagnetic (in other words, open-shell singlet) state, and we show that this singlet is not necessarily a diradical, because the spatially separated magnetizations for the spin-up and spin-down electrons increase with the size of the acene. For example, our results indicate that there are about four spin-up electrons localized at one zigzag edge of 20-acene. The reason that both acenes and polyacene have the antiferromagnetic ground state is due to the zigzag-shaped boundaries, which cause pi-electrons to localize and form spin orders at the edges. Both wider graphene ribbons and large rectangular-shaped polycyclic aromatic hydrocarbons have been shown to share this antiferromagnetic grou...

  20. Electronic States in Thorium under Pressure

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Jan, J. P.

    1980-01-01

    ) the electronic band structure is formed by 7s and 6d states while the bottom of a relatively broad 5f band is positioned 0.07 Ry above EF. The calculated extremal areas of the Fermi surface and their calculated pressure dependence agree with earlier calculations and with de Haas-van Alphen measurements......We have used the local-density formalism and the atomic-sphere approximation to calculate self-consistently the electronic properties of thorium at pressures up to 400 kbar. The derived equation of state agrees very well with static pressure experiments and shock data. Below the Fermi level (EF...... supporting the validity of the itinerant description of the 5f electrons for the light actinides. The calculation shows that the gradual s to d transition taking place at pressures up to 200 kbar is the cause of the unusual pressure dependence of the Fermi surface seen experimentally....

  1. Electron capture from coherent elliptic Rydberg states

    Energy Technology Data Exchange (ETDEWEB)

    Day, J.C.; DePaola, B.D.; Ehrenreich, T.; Hansen, S.B.; Horsdal-Pedersen, E.; Leontiev, Y.; Mogensen, K.S. [Institute of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark)

    1997-12-01

    Experimental relative cross sections for electron capture by singly charged ions (Na{sup +}) from coherent elliptic states of principal quantum number n=25 are presented. An interval of reduced impact velocities from about 1{endash}2 is covered. Absolute reaction cross sections could not be determined precisely, but the eccentricity of the coherent elliptic states and their orientation relative to the ion-impact velocity were varied to expose the dependence of the electron-capture process on the initial motion of the electron. The dependencies on eccentricity and orientation are generally strong and they vary sharply with impact velocity. Qualitatively, the observations agree fairly well with classical trajectory Monte Carlo (CTMC) calculations, as expected for the large quantum numbers involved, but significant deviations of a systematic nature do remain, showing that some aspects of the capture reactions studied are described poorly by classical physics as represented by the CTMC model. {copyright} {ital 1997} {ital The American Physical Society}

  2. Electronic States of Some Semiconductor Clusters

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    Potential surfaces and equilibrium geometries of InAs2, In2As, InAs2+ and In2As+ were studied using the complete active space multi-configuration self-consistent field (CASMCSCF) technique. Two electronic states, namely 2B2 and 2B1, were found to prevail as the ground states for the InAs2 and In2As trimers, respectively. The corresponding adiabatic ionization energies were computed and the leading configurations of the ground states were analyzed according to the wavefunctions.

  3. Vibrational assignment and vibronic interaction for NO3 in the ground electronic state

    Science.gov (United States)

    Hirota, Eizi

    2015-04-01

    Two important problems exist for the NO3 free radical. One is the frequency of the degenerate N-O stretching mode ν3. It has been assigned to a band at 1492 cm-1 (Assignment I), whereas Stanton calculated it by an ab initio MO method to be around 1000 cm-1 (Assignment II). The second concerns an anomalous ν4 progression, which appeared in the photoelectron spectra of the NO3 anion and was accounted for by Herzberg-Teller (H-T) mechanism, but the interaction parameter derived was too large. The present study critically examines Assignment II and the H-T vibronic interaction model against the results of high-resolution infrared (IR) spectroscopy supplemented with dispersed fluorescence (DF), and concludes Assignment I to be correct and the H-T mechanism to be complemented by a new vibronic interaction model, based upon the observations: (1) Stanton's ab initio MO ν3 appeared in neither IR nor DF spectra, (2) only one A-E type subband was present in the Z-ν4 hot band (Z denotes the upper state of the 1492 cm-1 band), at variance with the two predicted by Assignment II, (3) the ℓ-type doubling constant and the first-order Coriolis coupling constant derived for the Z state by assuming Assignment II were not acceptable, and (4) anomalous features expected from the H-T vibronic interaction model for the ν4 fundamental state were not observed at all. Infrared spectroscopic results on a few 2E‧ degenerate states indicated that the first-order Coriolis coupling constant and the effective spin-orbit interaction constant were closely correlated, suggesting that the unpaired electron azimuthal motion was affected much by that of the degenerate vibrational mode. This sort of vibronic interaction has been well known for linear polyatomic free radicals in 2Σ electronic states with a bending mode singly excited. A similar vibronic interaction should be present also in symmetric-top free radicals, where a degenerate vibrational mode is singly excited. However, few examples

  4. Electronic ground state of Ni$_2^+$

    CERN Document Server

    Zamudio-Bayer, V; Bülow, C; Leistner, G; Terasaki, A; Issendorff, B v; Lau, J T

    2016-01-01

    The $^{4}\\Phi_{9/2}$ ground state of the Ni$_2^+$ diatomic molecular cation is determined experimentally from temperature and magnetic-field-dependent x-ray magnetic circular dichroism spectroscopy in a cryogenic ion trap, where an electronic and rotational temperature of $7.4 \\pm 0.2$ K was achieved by buffer gas cooling of the molecular ion. The contribution of the magnetic dipole term to the x-ray magnetic circular dichroism spin sum rule amounts to $7\\, T_z = 0.17 \\pm 0.06$ $\\mu_B$ per atom, approximately 11 \\% of the spin magnetic moment. We find that, in general, homonuclear diatomic molecular cations of $3d$ transition metals seem to adopt maximum spin magnetic moments in their electronic ground states.

  5. Electronic Excited States of Tungsten(0) Arylisocyanides

    OpenAIRE

    2015-01-01

    W(CNAryl)_6 complexes containing 2,6-diisopropylphenyl isocyanide (CNdipp) are powerful photoreductants with strongly emissive long-lived excited states. These properties are enhanced upon appending another aryl ring, e.g., W(CNdippPh^(OMe)_2)_6; CNdippPh^(OMe)_2 = 4-(3,5-dimethoxyphenyl)-2,6-diisopropylphenylisocyanide (Sattler et al. J. Am. Chem. Soc. 2015, 137, 1198−1205). Electronic transitions and low-lying excited states of these complexes were investigated by time-dependent density fun...

  6. Relativistic degenerate effects of electrons and positrons on modulational instability of quantum ion acoustic waves in dense plasmas with two polarity ions

    Institute of Scientific and Technical Information of China (English)

    刘铁路; 王云良; 路彦珍

    2015-01-01

    The nonlinear propagation of quantum ion acoustic wave (QIAW) is investigated in a four-component plasma com-posed of warm classical positive ions and negative ions, as well as inertialess relativistically degenerate electrons and positrons. A nonlinear Schr ¨odinger equation is derived by using the reductive perturbation method, which governs the dynamics of QIAW packets. The modulation instability analysis of QIAWs is considered based on the typical parameters of the white dwarf. The results exhibit that both in weakly relativistic limit and in ultrarelativistic limit, the modulational instability regions are sensitively dependent on the ratios of temperature and number density of negative ions to those of positive ions respectively, and on relativistically degenerate effect as well.

  7. The Helium Field Effect Transistor (II): Gated Transport of Surface-State Electrons Through Micro-constrictions

    Science.gov (United States)

    Shaban, F.; Ashari, M.; Lorenz, T.; Rau, R.; Scheer, E.; Kono, K.; Rees, D. G.; Leiderer, P.

    2016-11-01

    We present transport measurements of surface-state electrons on liquid helium films in confined geometry. The measurements are taken using split-gate devices similar to a field effect transistor. The number of electrons passing between the source and drain areas of the device can be precisely controlled by changing the length of the voltage pulse applied to the gate electrode. We find evidence that the effective driving potential depends on electron-electron interactions, as well as the electric field applied to the substrate. Our measurements indicate that the mobility of electrons on helium films can be high and that microfabricated transistor devices allow electron manipulation on length scales close to the interelectron separation. Our experiment is an important step toward investigations of surface-state electron properties at much higher densities, for which the quantum melting of the system to a degenerate Fermi gas should be observed.

  8. Electronic processes in organic electronics bridging nanostructure, electronic states and device properties

    CERN Document Server

    Kudo, Kazuhiro; Nakayama, Takashi; Ueno, Nobuo

    2015-01-01

    The book covers a variety of studies of organic semiconductors, from fundamental electronic states to device applications, including theoretical studies. Furthermore, innovative experimental techniques, e.g., ultrahigh sensitivity photoelectron spectroscopy, photoelectron yield spectroscopy, spin-resolved scanning tunneling microscopy (STM), and a material processing method with optical-vortex and polarization-vortex lasers, are introduced. As this book is intended to serve as a textbook for a graduate level course or as reference material for researchers in organic electronics and nanoscience from electronic states, fundamental science that is necessary to understand the research is described. It does not duplicate the books already written on organic electronics, but focuses mainly on electronic properties that arise from the nature of organic semiconductors (molecular solids). The new experimental methods introduced in this book are applicable to various materials (e.g., metals, inorganic and organic mater...

  9. Semiconductor Nanostructures Quantum States and Electronic Transport

    CERN Document Server

    Ihn, Thomas

    2009-01-01

    This textbook describes the physics of semiconductor nanostructures with emphasis on their electronic transport properties. At its heart are five fundamental transport phenomena: quantized conductance, tunnelling transport, the Aharonov-Bohm effect, the quantum Hall effect, and the Coulomb blockade effect. The book starts out with the basics of solid state and semiconductor physics, such as crystal structure, band structure, and effective mass approximation, including spin-orbit interaction effects important for research in semiconductor spintronics. It contains material aspects such as band e

  10. Metastable and spin-polarized states in electron systems with localized electron-electron interaction

    Science.gov (United States)

    Sablikov, Vladimir A.; Shchamkhalova, Bagun S.

    2014-05-01

    We study the formation of spontaneous spin polarization in inhomogeneous electron systems with pair interaction localized in a small region that is not separated by a barrier from surrounding gas of non-interacting electrons. Such a system is interesting as a minimal model of a quantum point contact in which the electron-electron interaction is strong in a small constriction coupled to electron reservoirs without barriers. Based on the analysis of the grand potential within the self-consistent field approximation, we find that the formation of the polarized state strongly differs from the Bloch or Stoner transition in homogeneous interacting systems. The main difference is that a metastable state appears in the critical point in addition to the globally stable state, so that when the interaction parameter exceeds a critical value, two states coexist. One state has spin polarization and the other is unpolarized. Another feature is that the spin polarization increases continuously with the interaction parameter and has a square-root singularity in the critical point. We study the critical conditions and the grand potentials of the polarized and unpolarized states for one-dimensional and two-dimensional models in the case of extremely small size of the interaction region.

  11. Aneutronic Fusion in a Degenerate Plasma

    Energy Technology Data Exchange (ETDEWEB)

    S. Son; N.J. Fisch

    2004-09-03

    In a Fermi-degenerate plasma, the electronic stopping of a slow ion is smaller than that given by the classical formula, because some transitions between the electron states are forbidden. The bremsstrahlung losses are then smaller, so that the nuclear burning of an aneutronic fuel is more efficient. Consequently, there occurs a parameter regime in which self-burning is possible. Practical obstacles in this regime that must be overcome before net energy can be realized include the compression of the fuel to an ultra dense state and the creation of a hot spot.

  12. Electronically shielded solid state charged particle detector

    Energy Technology Data Exchange (ETDEWEB)

    Balmer, D.K.; Haverty, T.W.; Nordin, C.W.; Tyree, W.H.

    1996-08-20

    An electronically shielded solid state charged particle detector system having enhanced radio frequency interference immunity includes a detector housing with a detector entrance opening for receiving the charged particles. A charged particle detector having an active surface is disposed within the housing. The active surface faces toward the detector entrance opening for providing electrical signals representative of the received charged particles when the received charged particles are applied to the active surface. A conductive layer is disposed upon the active surface. In a preferred embodiment, a nonconductive layer is disposed between the conductive layer and the active surface. The conductive layer is electrically coupled to the detector housing to provide a substantially continuous conductive electrical shield surrounding the active surface. The inner surface of the detector housing is supplemented with a radio frequency absorbing material such as ferrite. 1 fig.

  13. Electronically shielded solid state charged particle detector

    Energy Technology Data Exchange (ETDEWEB)

    Balmer, David K. (155 Coral Way, Broomfield, CO 80020); Haverty, Thomas W. (1173 Logan, Northglenn, CO 80233); Nordin, Carl W. (7203 W. 32nd Ave., Wheatridge, CO 80033); Tyree, William H. (1977 Senda Rocosa, Boulder, CO 80303)

    1996-08-20

    An electronically shielded solid state charged particle detector system having enhanced radio frequency interference immunity includes a detector housing with a detector entrance opening for receiving the charged particles. A charged particle detector having an active surface is disposed within the housing. The active surface faces toward the detector entrance opening for providing electrical signals representative of the received charged particles when the received charged particles are applied to the active surface. A conductive layer is disposed upon the active surface. In a preferred embodiment, a nonconductive layer is disposed between the conductive layer and the active surface. The conductive layer is electrically coupled to the detector housing to provide a substantially continuous conductive electrical shield surrounding the active surface. The inner surface of the detector housing is supplemented with a radio frequency absorbing material such as ferrite.

  14. Self-ordered stationary states of driven quantum degenerate gases in optical resonators

    Science.gov (United States)

    Sandner, R. M.; Niedenzu, W.; Piazza, F.; Ritsch, H.

    2015-09-01

    We study the role of quantum statistics in the self-ordering of ultracold bosons and fermions moving inside an optical resonator with transverse coherent pumping. For few particles we numerically compute the nonequilibrium dynamics of the density matrix towards the self-ordered stationary state of the coupled atom-cavity system. We include quantum fluctuations of the particles and the cavity field. These fluctuations in conjunction with cavity cooling determine the stationary distribution of the particles, which exhibits a transition from a homogeneous to a spatially ordered phase with the appearance of a superradiant scattering peak in the cavity output spectrum. While the ordering threshold is generally lower for bosons, we confirm the recently predicted zero pump strength threshold for superradiant scattering for fermions when the cavity photon momentum coincides with twice the Fermi momentum.

  15. Ashkin-Teller criticality and weak first-order behavior of the phase transition to a fourfold degenerate state in two-dimensional frustrated Ising antiferromagnets

    Science.gov (United States)

    Liu, R. M.; Zhuo, W. Z.; Chen, J.; Qin, M. H.; Zeng, M.; Lu, X. B.; Gao, X. S.; Liu, J.-M.

    2017-07-01

    We study the thermal phase transition of the fourfold degenerate phases (the plaquette and single-stripe states) in the two-dimensional frustrated Ising model on the Shastry-Sutherland lattice using Monte Carlo simulations. The critical Ashkin-Teller-like behavior is identified both in the plaquette phase region and the single-stripe phase region. The four-state Potts critical end points differentiating the continuous transitions from the first-order ones are estimated based on finite-size-scaling analyses. Furthermore, a similar behavior of the transition to the fourfold single-stripe phase is also observed in the anisotropic triangular Ising model. Thus, this work clearly demonstrates that the transitions to the fourfold degenerate states of two-dimensional Ising antiferromagnets exhibit similar transition behavior.

  16. Mesoscopic Electronics in Solid State Nanostructures

    CERN Document Server

    Heinzel, Thomas

    2007-01-01

    This text treats electronic transport in the regime where conventional textbook models are no longer applicable, including the effect of electronic phase coherence, energy quantization and single-electron charging. This second edition is completely updated and expanded, and now comprises new chapters on spin electronics and quantum information processing, transport in inhomogeneous magnetic fields, organic/molecular electronics, and applications of field effect transistors. The book also provides an overview of semiconductor processing technologies and experimental techniques. With a number of

  17. Entanglement and double occupancy in many-electron states

    Energy Technology Data Exchange (ETDEWEB)

    Subrahmanyam, V., E-mail: vmani@iitk.ac.i [Department of Physics, Indian Institute of Technology, Kanpur 208016 (India)

    2010-07-12

    The entanglement in many-electron states is investigated using a global entanglement measure, viz. average site mixedness. We have examined metallic states of noninteracting electrons, Nagaoka and Gutzwiller states of strongly-correlated electrons, and superconducting states. Uncorrelated metallic states at half filling seem to maximize entanglement, as these states optimize the number of holes, the number of doubly-occupied sites. Entanglement is calculated explicitly for Gutzwiller-projected many-electron states in one dimension, which have less entanglement as double occupancy is inhibited in these states. Entanglement in superconducting states, which tend to promote double occupancy, is calculated as a function of the energy gap, and found to be lower than the metallic state entanglement. There is a possibility of a regime with a nonzero single-site concurrence depending on the energy gap.

  18. Excitation of the lowest CO2 vibrational states by electrons in hypersonic boundary layers

    Science.gov (United States)

    Armenise, I.

    2017-07-01

    The state-to-state vibrational kinetics of a CO2/O2/CO/C/O/e- mixture in a hypersonic boundary layer under conditions compatible with the Mars re-entry is studied. The model adopted treats three CO2 modes (the two degenerated bending modes are approximated as a unique one) as not independent ones. Vibrational-translational transitions in the bending mode, inter-mode exchanges within CO2 molecule and between molecules of different chemical species as well as dissociation-recombination reactions are considered. Attention is paid to the electron-CO2 collisions that cause transitions from the ground vibrational state, CO2(0,0,0), to the first excited ones, CO2(1,0,0), CO2(0,1,0) and CO2(0,0,1). The corresponding processes rate coefficients are obtained starting from the electron energy distribution function, calculated either as an equilibrium Boltzmann distribution at the local temperature or by solving the Boltzmann equation. Results obtained either neglecting or including in the kinetic scheme the electron-CO2 collisions are compared and explained by analysing the rate coefficients of the electron-CO2 collisions.

  19. Theory of NMR chemical shift in an electronic state with arbitrary degeneracy

    CERN Document Server

    Heuvel, Willem Van den

    2012-01-01

    We present a theory of nuclear magnetic resonance (NMR) shielding tensors for electronic states with arbitrary degeneracy. The shieldings are here expressed in terms of generalized Zeeman ($g^{(k)}$) and hyperfine ($A^{(k)}$) tensors, of all ranks $k$ allowed by the size of degeneracy. Contrary to recent proposals [T. O. Pennanen and J. Vaara, Phys. Rev. Lett. 100, 133002 (2008)], our theory is valid in the strong spin-orbit coupling limit. Ab initio calculations for the 4-fold degenerate $\\Gamma_8$ ground state of lanthanide-doped fluorite crystals CaF$_2$:Ln (Ln = Pr$^{2+}$, Nd$^{3+}$, Sm$^{3+}$, and Dy$^{3+}$) show that previously neglected contributions can account for more than 50% of the paramagnetic shift.

  20. Guide to state-of-the-art electron devices

    CERN Document Server

    2013-01-01

    Concise, high quality and comparative overview of state-of-the-art electron device development, manufacturing technologies and applications Guide to State-of-the-Art Electron Devices marks the 60th anniversary of the IEEE Electron Devices Committee and the 35th anniversary of the IEEE Electron Devices Society, as such it defines the state-of-the-art of electron devices, as well as future directions across the entire field. Spans full range of electron device types such as photovoltaic devices, semiconductor manufacturing and VLSI technology and circuits, covered by IEEE Electron and Devices Society Contributed by internationally respected members of the electron devices community A timely desk reference with fully-integrated colour and a unique lay-out with sidebars to highlight the key terms Discusses the historical developments and speculates on future trends to give a more rounded picture of the topics covered A valuable resource R&D managers; engineers in the semiconductor industry; applied scientists...

  1. Energy Continuity in Degenerate Density Functional Perturbation Theory

    CERN Document Server

    Palenik, Mark C

    2016-01-01

    Fractional occupation numbers can produce open-shell degeneracy in density functional theory. We develop the corresponding perturbation theory by requiring that a differentiable map connects the initial and perturbed states. The degenerate state connects to a single perturbed state which extremizes, but does not necessarily minimize or maximize, the energy with respect to occupation numbers. Using a system of three electrons in a harmonic oscillator potential, we relate the counterintuitive sign of first-order occupation numbers to eigenvalues of the electron-electron interaction Hessian.

  2. Electron States of Few-Electron Quantum Dots

    Institute of Scientific and Technical Information of China (English)

    戴振宏; 孙金祚; 张立德; 李作宏; 黄士勇; 隋鹏飞

    2002-01-01

    We study few-electron semiconductor quantum dots using the unrestricted Hartree-Fock-Roothaan method based on the Gaussian basis. Our emphasis is on the energy level calculation for quantum dots. The confinement potential in a quantum dot is assumed to be in a form of three-dimensional spherical finite potential well. Some valuable results, such as the rearrangement of the energy level, have been obtained.

  3. New: Variational principle-exact solutions and conservation laws for modified ion-acoustic shock waves and double layers with electron degenerate in plasma

    Science.gov (United States)

    EL-Kalaawy, O. H.

    2017-03-01

    The nonlinear propagation of modified ion acoustic shock waves and double layers in a relativistic degenerate plasma is considered. This plasma system is proposed for containing inertial viscous positive and negative ion fluids, relativistic electron fluids, and negatively charged immobile heavy ions. The basic set of fluid equations is reduced to modified Burgers (MB) and further modified Burgers (FMB) or (Gardner) or Mamun and Zobaer (M-Z) equations by using the reductive perturbation method. The basic features of these shocks obtained from this analysis are observed to be significantly different from those obtained from the standard Burgers equation. By introducing two special functions and He's semi-inverse method, a variational principle and conservation laws for the Gardner (FmB) equation are obtained. A set of new exact solutions for the Gardner (FmB) equation are obtained by the auto-Bäcklund transformations. Finally, we will study the physical meanings of solutions.

  4. Low-lying electronic states of M(3)O(9)(-) and M(3)O(9)(2-) (M = Mo, W).

    Science.gov (United States)

    Li, Shenggang; Dixon, David A

    2007-11-01

    Multiple low-lying electronic states of M(3)O(9)(-) and M(3)O(9)(2-) (M = Mo, W) arise from the occupation of the near-degenerate low-lying virtual orbitals in the neutral clusters. We used density functional theory (DFT) and coupled cluster theory (CCSD(T)) with correlation consistent basis sets to study the structures and energetics of the electronic states of these anions. The adiabatic and vertical electron detachment energies (ADEs and VDEs) of the anionic clusters were calculated with 27 exchange-correlation functionals including one local spin density approximation functional, 13 generalized gradient approximation (GGA) functionals, and 13 hybrid GGA functionals, as well as the CCSD(T) method. For M(3)O(9)(-), CCSD(T) and nearly all of the DFT exchange-correlation functionals studied predict the (2)A(1) state arising from the Jahn-Teller distortion due to singly occupying the degenerate e' orbital to be lower in energy than the (2)A(1)' state arising from singly occupying the nondegenerate a(1)' orbital. For W(3)O(9)(-), the (2)A(1) state was predicted to have essentially the same energy as the (2)A(1)' state at the CCSD(T) level with core-valence correlation corrections included and to be higher in energy or essentially isoenergetic with most DFT methods. The calculated VDEs from the CCSD(T) method are in reasonable agreement with the experimental values for both electronic states if estimates for the corrections due to basis set incompleteness are included. For M(3)O(9)(2-), the singlet state arising from doubly occupying the nondegenerate a(1)' orbital was predicted to be the most stable state for both M = Mo and W. However, whereas M(3)O(9)(2-) was predicted to be less stable than M(3)O(9)(-), W(3)O(9)(2-) was predicted to be more stable than W(3)O(9)(-).

  5. Spectroscopic Imaging of Strongly Correlated Electronic States

    Science.gov (United States)

    Yazdani, Ali; da Silva Neto, Eduardo H.; Aynajian, Pegor

    2016-03-01

    The study of correlated electronic systems from high-Tc cuprates to heavy-fermion systems continues to motivate the development of experimental tools to probe electronic phenomena in new ways and with increasing precision. In the past two decades, spectroscopic imaging with scanning tunneling microscopy has emerged as a powerful experimental technique. The combination of high energy and spatial resolutions provided by this technique reveals unprecedented detail of the electronic properties of strongly correlated metals and superconductors. This review examines specific experiments, theoretical concepts, and measurement methods that have established the application of these techniques to correlated materials. A wide range of applications, such as the study of collective responses to single atomic impurities, the characterization of quasiparticle-like excitations through their interference, and the identification of competing electronic phases using spectroscopic imaging, are discussed.

  6. Magnetic susceptibility and Landau diamagnetism of a quantum collisional Plasmas with arbitrary degree of degeneration of electronic gas

    CERN Document Server

    Latyshev, A V

    2013-01-01

    The kinetic description of magnetic susceptibility and Landau diamagnetism of quantum collisional plasmas with any degeration of electronic gas is given. The correct expression of electric conductivity of quantum collisional plasmas with any degeration of electronic gas (see A. V. Latyshev and A. A. Yushkanov, Transverse electrical conductivity of a quantum collisional plasma in the Mermin approach. - Theor. and Math. Phys., V. 175(1):559-569 (2013)) is used.

  7. Electron states in semiconductor quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Dhayal, Suman S., E-mail: ssdhayal@gmail.com [Department of Physics, University of North Texas, P.O. Box 311427, Denton, Texas 76203 (United States); Ramaniah, Lavanya M., E-mail: lavanya@barc.gov.in [High Pressure and Synchrotron Radiation Physics Division, Physics Group, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Ruda, Harry E.; Nair, Selvakumar V., E-mail: selva.nair@utoronto.ca [Centre for Nanotechnology, University of Toronto, 170 College Street, Toronto, Ontario M5S 3E3 (Canada)

    2014-11-28

    In this work, the electronic structures of quantum dots (QDs) of nine direct band gap semiconductor materials belonging to the group II-VI and III-V families are investigated, within the empirical tight-binding framework, in the effective bond orbital model. This methodology is shown to accurately describe these systems, yielding, at the same time, qualitative insights into their electronic properties. Various features of the bulk band structure such as band-gaps, band curvature, and band widths around symmetry points affect the quantum confinement of electrons and holes. These effects are identified and quantified. A comparison with experimental data yields good agreement with the calculations. These theoretical results would help quantify the optical response of QDs of these materials and provide useful input for applications.

  8. A coherent beam splitter for electronic spin states.

    Science.gov (United States)

    Petta, J R; Lu, H; Gossard, A C

    2010-02-05

    Rapid coherent control of electron spin states is required for implementation of a spin-based quantum processor. We demonstrated coherent control of electronic spin states in a double quantum dot by sweeping an initially prepared spin-singlet state through a singlet-triplet anticrossing in the energy-level spectrum. The anticrossing serves as a beam splitter for the incoming spin-singlet state. When performed within the spin-dephasing time, consecutive crossings through the beam splitter result in coherent quantum oscillations between the singlet state and a triplet state. The all-electrical method for quantum control relies on electron-nuclear spin coupling and drives single-electron spin rotations on nanosecond time scales.

  9. Five Electronic State Beyond Born-Oppenheimer Equations and Their Applications to Nitrate and Benzene Radical Cation.

    Science.gov (United States)

    Mukherjee, Soumya; Mukherjee, Bijit; Adhikari, Satrajit

    2017-08-24

    We present explicit form of Adiabatic to Diabatic Transformation (ADT) equations and expressions of non-adiabatic coupling terms (NACTs) for a coupled five-state electronic manifold in terms of ADT angles between electronic wave functions. ADT matrices eliminate the numerical instability arising from singularity of NACTs and transform the adiabatic Schrödinger equation to its diabatic form. Two real molecular systems NO3 and C6H6(+) (Bz(+)) are selectively chosen for the demonstration of workability of those equations. We examine the NACTs among the lowest five electronic states of the NO3 radical [X̃(2)A2(') (1(2)B2), Ã(2)E″ (1(2)A2 and 1(2)B1) and B̃(2)E' (1(2)A1 and 2(2)B2)], in which all types of non-adiabatic interactions, that is, Jahn-Teller (JT) interactions, Pseudo Jahn-Teller (PJT) interactions, and accidental conical intersections (CIs) are present. On the other hand, lowest five electronic states of Bz(+) [X̃(2)E1g (1(2)B3g and 1(2)B2g), B̃(2)E2g (1(2)Ag and 1(2)B1g), and C̃(2)A2u (1(2)B1u)] depict similar kind of complex feature of non-adiabatic effects. For NO3 radical, the two components of degenerate in-plane asymmetric stretching mode are taken as a plane of nuclear configuration space (CS), whereas in case of Bz(+), two pairs are chosen: One is the pair of components of degenerate in-plane asymmetric stretching mode, and the other one is constituted with one of the components each from out-of-plane degenerate bend and in-plane degenerate asymmetric stretching modes. We calculate ab initio adiabatic potential energy surfaces (PESs) and NACTs among the lowest five electronic states at the CASSCF level using MOLPRO quantum chemistry package. Subsequently, the ADT is performed using those newly developed equations to validate the positions of the CIs, evaluate the ADT angles and construct smooth, symmetric, and continuous diabatic PESs for both the molecular systems.

  10. Nanographite Films for Solid State Electronic Applications

    Directory of Open Access Journals (Sweden)

    Sergey G. Lebedev

    2013-01-01

    Full Text Available The structure and properties of nanographite films useful for applications in solid state devices are described. The possibility to use low conducting state of nanographite film for detecting radiation in the segmented solid state detectors is considered. Other interesting phenomena include the field effect conductivity switching which can be used in contactless current limiters and circuit breakers, the rf-to-dc conversion which can be utilized in microwave and photo detectors, and light emitting subsequent to the conductivity switching with possible application as light sources. The possible underlying gears of the mentioned effects are discussed.

  11. The Potential Energy Surface for the Electronic Ground State of H 2Se Derived from Experiment

    Science.gov (United States)

    Jensen, P.; Kozin, I. N.

    1993-07-01

    The present paper reports a determination of the potential energy surface for the electronic ground state of the hydrogen selenide molecule through a direct least-squares fitting to experimental data using the MORBID (Morse oscillator rigid bender internal dynamics) approach developed by P. Jensen [ J. Mol. Spectrosc.128, 478-501 (1988); J. Chem. Soc. Faraday Trans. 284, 1315-1340 (1988)]. We have fitted a selection of 303 rotation-vibration energy spacings of H 280Se, D 280Se, and HD 80Se involving J ≤ 5 with a root-mean-square deviation of 0.0975 cm -1 for the rotational energy spacings and 0.268 cm -1 for the vibrational spacings. In the fitting, 14 parameters were varied. On the basis of the fitted potential surface we have studied the cluster effect in the vibrational ground state of H 2Se, i.e., the formation of nearly degenerate, four-member groups of rotational energy levels [see I. N. Kozin, S. Klee, P. Jensen, O. L. Polyansky, and I. M. Pavlichenkov. J. Mol. Spectrosc., 158, 409-422 (1993), and references therein]. The cluster formation becomes more pronounced with increasing J. For example, four-fold clusters formed in the vibrational ground state of H 280Se at J = 40 are degenerate to within a few MHz. Our predictions of the D 280Se energy spectrum show that for this molecule, the cluster formation is displaced towards higher J values than arc found for H 280Se. In the vibrational ground state, the qualitative deviation from the usual rigid rotor picture starts at J = 12 for H 280Se and at J = 18 for D 280Se, in full agreement with predictions from semiclassical theory. An interpretation of the cluster eigenstates is discussed.

  12. State Space Path Integrals for Electronically Nonadiabatic Reaction Rates

    CERN Document Server

    Duke, Jessica Ryan

    2016-01-01

    We present a state-space-based path integral method to calculate the rate of electron transfer (ET) in multi-state, multi-electron condensed-phase processes. We employ an exact path integral in discrete electronic states and continuous Cartesian nuclear variables to obtain a transition state theory (TST) estimate to the rate. A dynamic recrossing correction to the TST rate is then obtained from real-time dynamics simulations using mean field ring polymer molecular dynamics. We employ two different reaction coordinates in our simulations and show that, despite the use of mean field dynamics, the use of an accurate dividing surface to compute TST rates allows us to achieve remarkable agreement with Fermi's golden rule rates for nonadiabatic ET in the normal regime of Marcus theory. Further, we show that using a reaction coordinate based on electronic state populations allows us to capture the turnover in rates for ET in the Marcus inverted regime.

  13. Two state electron model for geminate recombination of electron-ion pairs in liquid isooctane

    Science.gov (United States)

    Lukin, L. V.; Yakovlev, B. S.

    2011-04-01

    Recombination kinetics of geminate electron-ion pairs is considered in the framework of the two state model for electron transport in liquid hydrocarbons. It is shown that the model well reproduces recent experimental data on the subpicosecond geminate recombination obtained in liquid isooctane. The life time of electrons in a localized state in isooctane is estimated to lie in the range between 0.14 ps and 0.57 ps at room temperature.

  14. Two state electron model for geminate recombination of electron-ion pairs in liquid isooctane

    Energy Technology Data Exchange (ETDEWEB)

    Lukin, L.V., E-mail: lukin@binep.ac.ru [Institute of Energy Problems of Chemical Physics (Branch), Russian Academy of Sciences, Chernogolovka, P.O. Box 56, Moscow oblast 142432 (Russian Federation); Yakovlev, B.S. [Institute of Energy Problems of Chemical Physics (Branch), Russian Academy of Sciences, Chernogolovka, P.O. Box 56, Moscow oblast 142432 (Russian Federation)

    2011-04-28

    Graphical abstract: M + n . h{nu} {yields} mobile electron {yields} trapped electron {yields} free charges. Research highlights: {yields} Electrons produced by ionization of liquid alkanes are trapped near positive ions. {yields} The recombination kinetics was expressed in terms of a trapped electron life time. {yields} Transient absorption after the ionizing pulse was analyzed for liquid isooctane. {yields} The life time of trapped electrons was found. - Abstract: Recombination kinetics of geminate electron-ion pairs is considered in the framework of the two state model for electron transport in liquid hydrocarbons. It is shown that the model well reproduces recent experimental data on the subpicosecond geminate recombination obtained in liquid isooctane. The life time of electrons in a localized state in isooctane is estimated to lie in the range between 0.14 ps and 0.57 ps at room temperature.

  15. Imaging the dynamics of free-electron Landau states.

    Science.gov (United States)

    Schattschneider, P; Schachinger, Th; Stöger-Pollach, M; Löffler, S; Steiger-Thirsfeld, A; Bliokh, K Y; Nori, Franco

    2014-08-08

    Landau levels and states of electrons in a magnetic field are fundamental quantum entities underlying the quantum Hall and related effects in condensed matter physics. However, the real-space properties and observation of Landau wave functions remain elusive. Here we report the real-space observation of Landau states and the internal rotational dynamics of free electrons. States with different quantum numbers are produced using nanometre-sized electron vortex beams, with a radius chosen to match the waist of the Landau states, in a quasi-uniform magnetic field. Scanning the beams along the propagation direction, we reconstruct the rotational dynamics of the Landau wave functions with angular frequency ~100 GHz. We observe that Landau modes with different azimuthal quantum numbers belong to three classes, which are characterized by rotations with zero, Larmor and cyclotron frequencies, respectively. This is in sharp contrast to the uniform cyclotron rotation of classical electrons, and in perfect agreement with recent theoretical predictions.

  16. Complex band structure and superlattice electronic states

    Science.gov (United States)

    Schulman, J. N.; McGill, T. C.

    1981-04-01

    The complex band structures of the bulk materials which constitute the alternating layer (001) semiconductor-semiconductor superlattice are investigated. The complex bands near the center of the Brillouin zone in the [001] direction are studied in detail. The decay lengths of superlattice states whose energies lie in the bulk band gaps of one of the semiconductors are determined from the dispersion curves of these bands for imaginary k-->. This method is applied using a tight-binding band-structure calculation to two superlattices: the AlAs-GaAs superlattice and the CdTe-HgTe superlattice. The decay lengths of AlAs-GaAs superlattice conduction-band minimum states are found to be substantially shorter than those for the CdTe-HgTe superlattice. These differences in the decay of the states in the two superlattices result in differences in the variation of the conduction-band effective masses with the thickness of the AlAs and CdTe layers. The conduction-band effective masses increase more rapidly with AlAs thickness in the AlAs-GaAs superlattice than with CdTe thickness in the CdTe-HgTe superlattice.

  17. STIR: Novel Electronic States by Gating Strongly Correlated Materials

    Science.gov (United States)

    2016-03-01

    understood, has long been the foundation for electronic devices. What if we could apply these techniques to a much broader range of materials ? This short...grant aimed at demonstrating such large potential modulations in correlated electron materials using a technique known as electrolyte gating. This...of Papers published in non peer-reviewed journals: Final Report: STIR: Novel Electronic States by Gating Strongly Correlated Materials Report Title

  18. D-state Rydberg electrons interacting with ultracold atoms

    Energy Technology Data Exchange (ETDEWEB)

    Krupp, Alexander Thorsten

    2014-10-02

    This thesis was established in the field of ultracold atoms where the interaction of highly excited D-state electrons with rubidium atoms was examined. This work is divided into two main parts: In the first part we study D-state Rydberg molecules resulting from the binding of a D-state Rydberg electron to a ground state rubidium atom. We show that we can address specific rovibrational molecular states by changing our laser detuning and thus create perfectly aligned axial or antialigned toroidal molecules, in good agreement with our theoretical calculations. Furthermore the influence of the electric field on the Rydberg molecules was investigated, creating novel states which show a different angular dependence and alignment. In the second part of this thesis we excite single D-state Rydberg electrons in a Bose-Einstein condensate. We study the lifetime of these Rydberg electrons, the change of the shape of our condensate and the atom losses in the condensate due to this process. Moreover, we observe quadrupolar shape oscillations of the whole condensate created by the consecutive excitation of Rydberg atoms and compare all results to previous S-state measurements. In the outlook we propose a wide range of further experiments including the proposal of imaging a single electron wavefunction by the imprint of its orbit into the Bose-Einstein condensate.

  19. Molecular electronics with single molecules in solid-state devices

    DEFF Research Database (Denmark)

    Moth-Poulsen, Kasper; Bjørnholm, Thomas

    2009-01-01

    The ultimate aim of molecular electronics is to understand and master single-molecule devices. Based on the latest results on electron transport in single molecules in solid-state devices, we focus here on new insights into the influence of metal electrodes on the energy spectrum of the molecule...

  20. Electronic states of doped semiconductors: A multiple scattering approach

    Science.gov (United States)

    Ghazali, A.; Serre, J.

    1983-03-01

    The electronic structure of doped (and compensated) semiconductors is studied by using the Klauder's best multiple-scattering approximation. Electron correlations are also included. It is shown that as the impurity concentration is decreased, the band tail gradually splits off from the main band giving an impurity band. The domains of existence of extended states and localized states have been recognized by analyzing the shape of spectral densities. Lastly, our results are confronted with various experiments.

  1. State of the art. Four easy pieces: interconnections between tissue injury, intermediary metabolism, autoimmunity, and chronic degeneration.

    Science.gov (United States)

    Steinman, Lawrence

    2006-08-01

    Four questions are posed: (1) Can tissue damage itself provoke autoimmunity? (2) Can genetic mutations of key structures produce tissue pathology and thus provoke autoimmunity? (3) Can acute immune damage produce tissue degeneration without further hallmarks of an immune response? (4) Can intermediary metabolism modulate immune damage to tissues? Four answers are given: (1) Tissue injury itself may lead to autoimmunity. Both innate and adaptive immunity may arise as a response to tissue injury, and the immune attack can further damage tissue. (2) Genetic mutations can lead to an immune response indistinguishable from autoimmunity, exemplified from Duchenne's Muscular Dystrophy and X-linked adrenoleukodystrophy. (3) Chronic immune damage may lead to tissue degeneration, with or without further hallmarks of an immune response. Variations on this theme, including inverse scenarios, are also possible: Inborn errors of metabolism may lead to tissue damage that may provoke an adaptive and or innate immune response. The immune response might further damage tissue. (4) Finally, perturbations of intermediary metabolism may modulate the immune response, controlling the extent of immune-mediated damage. Examples are taken from perturbations in the cholesterol pathway that influence the characteristics of the immune response, and with tryptophan metabolites that modulate autoimmunity and graft rejection. Inflammatory, degenerative, and autoimmune neurological disease will be discussed in terms of their implications for pathogenic mechanisms underlying chronic obstructive pulmonary disease.

  2. REFLECTIONS ON THE TWO-STATE ELECTRON TRANSFER MODEL.

    Energy Technology Data Exchange (ETDEWEB)

    Brunschwig, B.S.

    2000-01-12

    There is general agreement that the two most important factors determining electron transfer rates in solution are the degree of electronic interaction between the donor and acceptor sites, and the changes in the nuclear configurations of the donor, acceptor, and surrounding medium that occur upon the gain or loss of an electron Ll-51. The electronic interaction of the sites will be very weak, and the electron transfer slow, when the sites are far apart or their interaction is symmetry or spin forbidden. Since electron motion is much faster than nuclear motion, energy conservation requires that, prior to the actual electron transfer, the nuclear configurations of the reactants and the surrounding medium adjust from their equilibrium values to a configuration (generally) intermediate between that of the reactants and products. In the case of electron transfer between , two metal complexes in a polar solvent, the nuclear configuration changes involve adjustments in the metal-ligand and intraligand bond lengths and angles, and changes in the orientations of the surrounding solvent molecules. In common with ordinary chemical reactions, an electron transfer reaction can then be described in terms of the motion of the system on an energy surface from the reactant equilibrium configuration (initial state) to the product equilibrium configuration (final state) via the activated complex (transition state) configuration.

  3. Surface-electronic-state effects in electron emission from the Be(0001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Archubi, C. D. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Gravielle, M. S. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Silkin, V. M. [Donostia International Physics Center, E-20018 San Sebastian (Spain); Departamento de Fisica de Materiales, Facultad de Ciencias Quimicas, Universidad del Pais Vasco, Apartado 1072, E-20080 San Sebastian (Spain); IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao (Spain)

    2011-07-15

    We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

  4. Electronic dipole resonance in smoky quartz

    NARCIS (Netherlands)

    Kerssen, J.; Volger, J.

    1967-01-01

    Microwave absorption in smoky quartz mono-crystal is ascribed to resonance transitions of trapped electrons between initially configurational degenerated states, which are Stark-splitted by a polarizing electric field.

  5. Femtosecond Non-degenerate Four Wave Mixing Spectroscopy: The Two Color Photon Echo Peak Shift

    CERN Document Server

    Prall, B S

    2005-01-01

    The couplings between multiple electronic states and electronic and nuclear coordinates are examined for condensed phase systems by femtosecond degenerate and non-degenerate four wave mixing. The two-color photon echo peak shift experiment is developed which allows measurement of the correlation between transition frequencies in two different spectral regions. Two-color photon echo peak shift (2C3PEPS) experiments are used to study coupling between electronic states in the lutetium bisphthalocyanine anion, LuPc2−. Electronically induced mixing between exciton and charge resonance states leads to correlations in transition energies for the two observed transitions. This correlation generates non-zero 2C3PEPS which, when compared with 1C3PEPS, allows experimental determination of the degree of mixing, which was in good agreement with theoretical predictions. By exploiting a coherently excited nuclear wavepacket, the nuclear dependence on the electronic mixing between exciton and charge resonance state...

  6. All-electron ab initio investigations of the electronic states of the NiC molecule

    DEFF Research Database (Denmark)

    Shim, Irene; Gingerich, Karl. A.

    1999-01-01

    momenta of F-4(g) Ni+ and S-4(u) C-. The predicted ground state, (1)Sigma(+), is well separated from the dense manifold of excited states by an energy gap of 6465 cm(-1). Multi-reference configuration-interaction (MRCI) calculations result in r(e) = 1.621 Angstrom and omega(e) = 874 cm(-1) agreeing well......The low-lying electronic states of NiC are investigated by all-electron ab initio multi-configuration self-consistent-field (CASSCF) calculations including relativistic corrections. The electronic structure of NiC is interpreted as perturbed antiferromagnetic couplings of the localized angular...

  7. Multi-pair states in electron-positron pair creation

    Science.gov (United States)

    Wöllert, Anton; Bauke, Heiko; Keitel, Christoph H.

    2016-09-01

    Ultra strong electromagnetic fields can lead to spontaneous creation of single or multiple electron-positron pairs. A quantum field theoretical treatment of the pair creation process combined with numerical methods provides a description of the fermionic quantum field state, from which all observables of the multiple electron-positron pairs can be inferred. This allows to study the complex multi-particle dynamics of electron-positron pair creation in-depth, including multi-pair statistics as well as momentum distributions and spin. To illustrate the potential benefit of this approach, it is applied to the intermediate regime of pair creation between nonperturbative Schwinger pair creation and perturbative multiphoton pair creation where the creation of multi-pair states becomes nonnegligible but cascades do not yet set in. Furthermore, it is demonstrated how spin and helicity of the created electrons and positrons are affected by the polarization of the counterpropagating laser fields, which induce the creation of electron-positron pairs.

  8. Electronically excited negative ion resonant states in chloroethylenes

    Energy Technology Data Exchange (ETDEWEB)

    Khvostenko, O.G., E-mail: khv@mail.ru; Lukin, V.G.; Tuimedov, G.M.; Khatymova, L.Z.; Kinzyabulatov, R.R.; Tseplin, E.E.

    2015-02-15

    Highlights: • Several novel dissociative negative ion channels were revealed in chloroethylenes. • The electronically excited resonant states were recorded in all chloroethylenes under study. • The states were assigned to the inter-shell types, but not to the core-excited Feshbach one. - Abstract: The negative ion mass spectra of the resonant electron capture by molecules of 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans, trichloroethylene and tetrachloroethylene have been recorded in the 0–12 eV range of the captured electron energy using static magnetic sector mass spectrometer modified for operation in the resonant electron capture regime. As a result, several novel low-intensive dissociation channels were revealed in the compounds under study. Additionally, the negative ion resonant states were recorded at approximately 3–12 eV, mostly for the first time. These resonant states were assigned to the electronically excited resonances of the inter-shell type by comparing their energies with those of the parent neutral molecules triplet and singlet electronically excited states known from the energy-loss spectra obtained by previous studies.

  9. Search for bound-state electron+positron pair decay

    Science.gov (United States)

    Bosch, F.; Hagmann, S.; Hillenbrand, P.-M.; Lane, G. J.; Litvinov, Yu. A.; Reed, M. W.; Sanjari, M. S.; Stöhlker, Th.; Torilov, S. Yu.; Tu, X. L.; Walke, P. M.

    2016-09-01

    The heavy ion storage rings coupled to in-flight radioactive-ion beam facilities, namely the ability to produce and store for extended periods of time radioactive nuclides in high atomic charge states, for the searchof yet unobserved decay mode - bound-state electron-positron pair decay.

  10. 5f-Electron Phenomena in the Metallic State

    Science.gov (United States)

    Arko, A. J.; Joyce, John J.; Havela, Ladia

    In this chapter, the properties of actinides in the metallic state will be reviewed with an emphasis on those properties which are unique or predominantly found in the metallic solid state. Such properties include magnetism, superconductivity, enhanced mass, spin and charge-density waves, as well as quantum critical points. An introduction to fundamental condensed matter principles is included to focus the discussion on the properties in the metallic state. Systematics of the actinide 5f electronic structure will be presented for elements, alloys, metallic, and semi-metallic compounds so as to elucidate the unique characteristics that arise from the properties of actinides and 5f electrons in a periodic potential.

  11. Fast electronic resistance switching involving hidden charge density wave states

    Science.gov (United States)

    Vaskivskyi, I.; Mihailovic, I. A.; Brazovskii, S.; Gospodaric, J.; Mertelj, T.; Svetin, D.; Sutar, P.; Mihailovic, D.

    2016-05-01

    The functionality of computer memory elements is currently based on multi-stability, driven either by locally manipulating the density of electrons in transistors or by switching magnetic or ferroelectric order. Another possibility is switching between metallic and insulating phases by the motion of ions, but their speed is limited by slow nucleation and inhomogeneous percolative growth. Here we demonstrate fast resistance switching in a charge density wave system caused by pulsed current injection. As a charge pulse travels through the material, it converts a commensurately ordered polaronic Mott insulating state in 1T-TaS2 to a metastable electronic state with textured domain walls, accompanied with a conversion of polarons to band states, and concurrent rapid switching from an insulator to a metal. The large resistance change, high switching speed (30 ps) and ultralow energy per bit opens the way to new concepts in non-volatile memory devices manipulating all-electronic states.

  12. Modified gravitational instability of degenerate and non-degenerate dusty plasma

    Science.gov (United States)

    Jain, Shweta; Sharma, Prerana

    2016-09-01

    The gravitational instability of strongly coupled dusty plasma (SCDP) is studied considering degenerate and non-degenerate dusty plasma situations. The SCDP system is assumed to be composed of the electrons, ions, neutrals, and strongly coupled dust grains. First, in the high density regime, due to small interparticle distance, the electrons are considered degenerate, whereas the neutrals, dust grains, and ions are treated non-degenerate. In this case, the dynamics of inertialess electrons are managed by Fermi pressure and Bohm potential, while the inertialess ions are by only thermal pressure. Second, in the non-degenerate regime, both the electrons and ions are governed by the thermal pressure. The generalized hydrodynamic model and the normal mode analysis technique are employed to examine the low frequency waves and gravitational instability in both degenerate and non-degenerate cases. The general dispersion relation is discussed for a characteristic timescale which provides two regimes of frequency, i.e., hydrodynamic regime and kinetic regime. Analytical solutions reveal that the collisions reduce the growth rate and have a strong impact on structure formation in both degenerate and non-degenerate circumstances. Numerical estimation on the basis of observed parameters for the degenerate and non-degenerate cases is presented to show the effects of dust-neutral collisions and dust effective velocity in the presence of polarization force. The values of Jeans length and Jeans mass have been estimated for degenerate white dwarfs as Jeans length L J = 1.3 × 10 5 cm and Jeans mass M J = 0.75 × 10 - 3 M⊙ and for non-degenerate laboratory plasma Jeans length L J = 6.86 × 10 16 cm and Jeans mass M J = 0.68 × 10 10 M⊙. The stability of the SCDP system is discussed using the Routh-Hurwitz criterion.

  13. Assignment of the electronic states of pyrazole by ab initio multi-reference configuration interaction calculations

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, Michael H.; Guest, Martyn F

    2003-07-01

    The gas-phase VUV absorption spectrum of pyrazole, which we reported recently, has been further assigned in the light of multi-reference multi-root CI calculations, using basis sets of varying size up to quadruple zeta quality, and containing both valence and Rydberg type functions. A very intense VUV band centred near 7.8 eV appears to arise from the summation of three calculated bands of {pi}{pi}* character, of which the first and third are the most intense. The window resonance near the band maximum is ascribed to mutual annihilation of a Rydberg state and valence state, and a probable assignment is discussed. The electron energy loss (EEL) spectrum also obtained previously, showed low-lying triplet states at about 3.9 and 5.1 eV, respectively; the present computations suggest that two triplet ({sup 3}{pi}{pi}*) states lie within the 3.9 eV band, and identifies the species involved. The assignment of the UV-photoelectron spectrum has been reconsidered, but the identity of the first three IPs as {pi}{sub 3}<{pi}{sub 2}states below 10 eV are likely to be of {pi}{pi}* and {pi}{sigma}* character with both valence and Rydberg types. However, a number of {sigma}{sigma}* and {sigma}{pi}* states including those derived from the lone pair electrons were obtained from the CI study, which give predictive values for the onset of such excitations. The highest pair of occupied orbitals ({pi}{sub 3} and {pi}{sub 2}) both interact strongly with the lowest pair of valence VMOs ({pi}{sub 4}* and {pi}{sub 5}*) leading to a wide variety of valence states, and as such the molecule behaves much more like a system with degenerate pairs of {pi}-MOs. Evidence is presented that (short lived) anions formed by electron impact are in fact {sup 2}{sigma} ({sup 2}A{sup '}) rather than {sup 2}{pi}({sup 2}A''), and that this is likely to be true for the related anions of pyrrole, furan

  14. [Hepatolenticular degeneration].

    Science.gov (United States)

    Zudenigo, D; Relja, M

    1990-01-01

    Hepatolenticular degeneration (Wilson's disease) is a hereditary disease in which metabolic disorder of copper leads to its accumulation in the liver, brain, cornea and kidneys with consequent pathologic changes in those organs. Hereditary mechanism of the disease is autosomal recessive with prevalence of 30-100 per 1,000,000 inhabitants. Etiology of this disease is not yet explained. There are two hypotheses. The first one is that it is the disorder of ceruloplasmine metabolism caused by insufficient synthesis of normal ceruloplasmine, or synthesis of functionally abnormal ceruloplasmine. The second one is: the block of copper biliar excretion which is the consequence of the liver lysosomes functional defect. Pathogenetic mechanism of disease is firstly long-term accumulation of copper in the liver, and later, when the liver depo is full, its releasing in circulation and accumulation in the brain, cornea, kidneys and bones, which causes adequate pathologic changes. Toxic activity of copper is the consequence of its activity on enzymes, particularly on those with -SH group. There are two basic clinical forms of the disease: liver disease or neurologic disease. Before puberty the liver damage is more frequent, while in adolescents and young adults neurologic form of the disease is usual. The liver disease is nonspecific and characterized by symptoms of cirrhosis and chronic aggressive hepatitis. The only specificity is hemolytic anemia which, in combination with previous symptoms, is important for diagnosis of the disease. Neurologic symptoms are the most frequent consequence of pathologic changes in the basal ganglia. In our patients the most frequent symptoms were tremor (63%); dysarthria, choreoathetosis and rigor (38%); ataxia and mental disorders (31%); dysphagia and dystonia (12%), diplopia, hypersalivation, nystagmus and Babinski's sign (6%). Among pathologic changes in other tissues and organs the most important is the finding of Kayser-Fleischer ring in the

  15. State-to-state kinetics and transport properties of electronically excited N and O atoms

    Science.gov (United States)

    Istomin, V. A.; Kustova, E. V.

    2016-11-01

    A theoretical model of transport properties in electronically excited atomic gases in the state-to-state approach is developed. Different models for the collision diameters of atoms in excited states are discussed, and it is shown that the Slater-like models can be applied for the state-resolved transport coefficient calculations. The influence of collision diameters of N and O atoms with electronic degrees of freedom on the transport properties is evaluated. Different distributions on the electronic energy are considered for the calculation of transport coefficients. For the Boltzmann-like distributions at temperatures greater than 15000 K, an important effect of electronic excitation on the thermal conductivity and viscosity coefficients is found; the coefficients decrease significantly when many electronic states are taken into account. It is shown that under hypersonic reentry conditions the impact of collision diameters on the transport properties is not really important since the populations of high levels behind the shock waves are low.

  16. Alternative ground states enable pathway switching in biological electron transfer

    Science.gov (United States)

    Abriata, Luciano A.; Álvarez-Paggi, Damián; Ledesma, Gabriela N.; Blackburn, Ninian J.; Vila, Alejandro J.; Murgida, Daniel H.

    2012-01-01

    Electron transfer is the simplest chemical reaction and constitutes the basis of a large variety of biological processes, such as photosynthesis and cellular respiration. Nature has evolved specific proteins and cofactors for these functions. The mechanisms optimizing biological electron transfer have been matter of intense debate, such as the role of the protein milieu between donor and acceptor sites. Here we propose a mechanism regulating long-range electron transfer in proteins. Specifically, we report a spectroscopic, electrochemical, and theoretical study on WT and single-mutant CuA redox centers from Thermus thermophilus, which shows that thermal fluctuations may populate two alternative ground-state electronic wave functions optimized for electron entry and exit, respectively, through two different and nearly perpendicular pathways. These findings suggest a unique role for alternative or “invisible” electronic ground states in directional electron transfer. Moreover, it is shown that this energy gap and, therefore, the equilibrium between ground states can be fine-tuned by minor perturbations, suggesting alternative ways through which protein–protein interactions and membrane potential may optimize and regulate electron–proton energy transduction. PMID:23054836

  17. STEADY-STATE MODEL OF SOLAR WIND ELECTRONS REVISITED

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Peter H.; Kim, Sunjung; Choe, G. S., E-mail: yoonp@umd.edu [School of Space Research, Kyung Hee University, Yongin, Gyeonggi 446-701 (Korea, Republic of)

    2015-10-20

    In a recent paper, Kim et al. put forth a steady-state model for the solar wind electrons. The model assumed local equilibrium between the halo electrons, characterized by an intermediate energy range, and the whistler-range fluctuations. The basic wave–particle interaction is assumed to be the cyclotron resonance. Similarly, it was assumed that a dynamical steady state is established between the highly energetic superhalo electrons and high-frequency Langmuir fluctuations. Comparisons with the measured solar wind electron velocity distribution function (VDF) during quiet times were also made, and reasonable agreements were obtained. In such a model, however, only the steady-state solution for the Fokker–Planck type of electron particle kinetic equation was considered. The present paper complements the previous analysis by considering both the steady-state particle and wave kinetic equations. It is shown that the model halo and superhalo electron VDFs, as well as the assumed wave intensity spectra for the whistler and Langmuir fluctuations, approximately satisfy the quasi-linear wave kinetic equations in an approximate sense, thus further validating the local equilibrium model constructed in the paper by Kim et al.

  18. The electronic states of TeH(+): a theoretical contribution.

    Science.gov (United States)

    Gonçalves dos Santos, Levi; de Oliveira-Filho, Antonio Gustavo S; Ornellas, Fernando R

    2015-01-14

    This work reports the first theoretical characterization of a manifold of electronic states of the as yet experimentally unknown monotellurium monohydride cation, TeH(+). Both Λ + S and Ω representations were described showing the twelve states correlating with the three lowest (Λ + S) dissociation channels, and the twenty five states associated with the five lowest Ω channels. The X (3)Σ(-) state is split into X1 0(+) and X2 1 separated by 1049 cm(-1); they are followed by the states a 2 (a (1)Δ) and b 0(+) (b (1)Σ(+)) higher in energy by 8554 and 17 383 cm(-1), respectively. These states can accommodate several vibrational energy levels. The potential energy curves of the Ω states arising from the bound A (3)Π, the weakly bound (1)Π, and the repulsive (5)Σ(-) states have a complex structure as shown by the very close avoided crossings just above ∼30 000 cm(-1). In particular, a double minima potential results for the state A1 2 that in principle could be probed experimentally through the A1 2-X2 1 system transitions. The states A2 1, b 0(+), and A4 0(+) offer possible routes to experimental investigations involving the ground state X1 0(+). Higher energy states are very dense and mostly repulsive. The high-level of the electronic structure calculations, by providing a global view of the electronic states and reliable spectroscopic parameters, is expected to further guide and motivate experimental studies on this species. Additional discussions on dipole and transition dipole moments, transition probabilities, radiative lifetimes, and a simulation of the single ionization spectrum complement the characterization of this system.

  19. Charge transfer to ground-state ions produces free electrons

    Science.gov (United States)

    You, D.; Fukuzawa, H.; Sakakibara, Y.; Takanashi, T.; Ito, Y.; Maliyar, G. G.; Motomura, K.; Nagaya, K.; Nishiyama, T.; Asa, K.; Sato, Y.; Saito, N.; Oura, M.; Schöffler, M.; Kastirke, G.; Hergenhahn, U.; Stumpf, V.; Gokhberg, K.; Kuleff, A. I.; Cederbaum, L. S.; Ueda, K.

    2017-01-01

    Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a complex cascade of relaxation steps. Understanding these steps is important, as they determine the production of slow electrons and singly charged radicals, the most abundant products in radiation chemistry. In this communication, we present experimental evidence for a so-far unobserved, but potentially very important step in such relaxation cascades: Multiply charged ionic states after Auger decay may partially be neutralized by electron transfer, simultaneously evoking the creation of a low-energy free electron (electron transfer-mediated decay). This process is effective even after Auger decay into the dicationic ground state. In our experiment, we observe the decay of Ne2+ produced after Ne 1s photoionization in Ne-Kr mixed clusters.

  20. Charge transfer to ground-state ions produces free electrons

    Science.gov (United States)

    You, D.; Fukuzawa, H.; Sakakibara, Y.; Takanashi, T.; Ito, Y.; Maliyar, G. G.; Motomura, K.; Nagaya, K.; Nishiyama, T.; Asa, K.; Sato, Y.; Saito, N.; Oura, M.; Schöffler, M.; Kastirke, G.; Hergenhahn, U.; Stumpf, V.; Gokhberg, K.; Kuleff, A. I.; Cederbaum, L. S.; Ueda, K

    2017-01-01

    Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a complex cascade of relaxation steps. Understanding these steps is important, as they determine the production of slow electrons and singly charged radicals, the most abundant products in radiation chemistry. In this communication, we present experimental evidence for a so-far unobserved, but potentially very important step in such relaxation cascades: Multiply charged ionic states after Auger decay may partially be neutralized by electron transfer, simultaneously evoking the creation of a low-energy free electron (electron transfer-mediated decay). This process is effective even after Auger decay into the dicationic ground state. In our experiment, we observe the decay of Ne2+ produced after Ne 1s photoionization in Ne–Kr mixed clusters. PMID:28134238

  1. Fragmentation pathwaysfor selected electronic states of theacetylene dication

    Energy Technology Data Exchange (ETDEWEB)

    Osipov, Timur; Rescigno, Thomas N.; Weber, Thorsten; Miyabe,Shungo; Jahnke, T.; Alnaser, A.; Hertlein, Markus P.; Jagutzki, O.; Schmidt, L.Ph.H.; Schoffler, M.; Foucar, L.; Schossler, S.; Havermeier,T.; Odenweller,M.; Voss, S.; Feinberg, Ben; Landers, Alan; Prior, MichaelH.; Dorner, Reinhart; Cocke, C.L.; Belkacem, Ali

    2007-12-18

    Coincident measurement of the Auger electron and fragmention momenta emitted after carbon core-level photoionization of acetylenehas yielded new understanding of how the dication fragments. Ab initiocalculations and experimental data, including body-frame Auger angulardistributions, are used to identify the parent electronic states andtogether yield a comprehensive map of the dissociation pathways whichinclude surface crossings and barriers to direct dissociation. The Augerangular distributions show evidence of core-holelocalization.

  2. Atomic structure and electronic states of extended defects in silicon

    CERN Document Server

    Riedel, F; Schröter, W

    2002-01-01

    Defects in silicon like dislocations, grain boundaries, silicide precipitates, etc. are spatially extended and associated with a large number of electronic states in the band gap. Our knowledge on the relation between atomic structure and electronic states of these extended defects presently starts to grow by applying high-resolution electron microscopy (HRTEM) and deep level transient spectroscopy (DLTS) in combination with numerical simulations. While by means of HRTEM details of structure can be studied, DLTS has been shown to allow for a classification of extended defect states into bandlike and localized. Moreover, this method opens the perspective to distinguish between trap-like and recombination-like electrical activity. In this paper, we emphasize the particular role of nickel and copper silicide precipitates, since in their cases structural features could be successfully related to specific DLTS line characteristics. Rapid quenching from high diffusion temperatures prevents decoration of platelet-sh...

  3. Electron-impact excitation of the low-lying electronic states of formaldehyde

    Science.gov (United States)

    Chutjian, A.

    1974-01-01

    Electron-impact excitation has been observed at incident electron energies of 10.1 and 20.1 eV to the first five excited electronic states of formaldehyde lying at and below the 1B2 state at 7.10 eV. These excitations include two new transitions in the energy-loss range 5.6-6.2 eV and 6.7-7.0 eV which have been detected for the first time, either through electron-impact excitation or photon absorption. The differential cross sections of these new excitations are given at scattering angles between 15 and 135 deg. These cross-section ratios peak at large scattering angles - a characteristic of triplet - singlet excitations. The design and performance of the electron-impact spectrometer used in the above observations is outlined and discussed.

  4. Integral cross sections for electron impact excitation of vibrational and electronic states in phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, 28040 Madrid (Spain); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Ratnavelu, K. [Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-05-21

    We report on measurements of integral cross sections (ICSs) for electron impact excitation of a series of composite vibrational modes and electronic-states in phenol, where the energy range of those experiments was 15–250 eV. There are currently no other results against which we can directly compare those measured data. We also report results from our independent atom model with screened additivity rule correction computations, namely, for the inelastic ICS (all discrete electronic states and neutral dissociation) and the total ionisation ICS. In addition, for the relevant dipole-allowed excited electronic states, we also report f-scaled Born-level and energy-corrected and f-scaled Born-level (BEf-scaled) ICS. Where possible, our measured and calculated ICSs are compared against one another with the general level of accord between them being satisfactory to within the measurement uncertainties.

  5. Delicate competing electronic states in ultrathin manganite films

    Science.gov (United States)

    Liao, Zhaoliang; Jin, Rongying; Plummer, E. W.; Zhang, Jiandi

    2017-02-01

    The coupling between the electrical transport properties of L a2 /3S r1 /3Mn O3 (LSMO) thin films and structural phase transitions of SrTi O3 (STO) substrates at Ts=105 K has been investigated. We found that the electrical resistivity of LSMO films exhibit a "cusp" at Ts, which is greatly amplified by tuning films to the verge of metallic and insulating phases, i.e., to the boundary of two delicate competing electronic states. Our results demonstrate that small amounts of strain can tip the subtle balance of competing interactions and tune the electronic properties in correlated electron materials.

  6. Uses of pulsed electron beam to solid-states studies

    Energy Technology Data Exchange (ETDEWEB)

    Itoh, Noriaki; Nakayama, Takeyoshi; Tanimura, Katsumi; Chong, Taisu; Saidoh, Masahiro

    1982-03-01

    A survey is given on the use of the pulsed electron beams to studies of solid states. Even though main emphasis is placed on the studies carried out at the Faculty of Engineering, Nagoya University, using the Pulsed Electron Facilities installed in 1970, the works carried out at other institutes are also included. Only the studies of crystalline solids with simple structures, such as alkali halides and aromatic hydrocarbons are covered. In the first place several instrumentations which have extended utilities of pulsed-electron beams are presented. Then we discuss the studies of the dynamic of excitons, emphasizing the advantages and disadvantages of the usage of the electron pulses. Then usages of the pulsed-electron beam for the studies of the excited states of the quasi-stable defects are described. Application of the electron pulse for studies of the excitation spectroscopy of the photochemistry is described. The dynamic studies of defects introduced by electron-pulse bombardment is discussed finally. A summary is given, which includes also the possible future experiments.

  7. Electronic States in Quasi-one-Dimensional Copolymeric Sandwich Structures

    Institute of Scientific and Technical Information of China (English)

    刘德胜; 王鹿霞; 魏建华; 郑斌; 解士杰; 韩圣浩; 梅良模

    2001-01-01

    The electronic properties of xPA/nPPP/yPA sandwiched copo]ymers with a well-barrier-well structure have been studied by using a tight-binding calculation. It was found that the electronic properties of the neutral states of these sandwiched copolymers are sensitive to the constitutions of PPP and PA monomers and the interface coupling between PA and PPP. It is verified that the quantum tunnelling effect will occur at the lowest conductive state of xPA/nPPP/xPA copolymers.

  8. Electronic State Decomposition of Energetic Materials and Model Systems

    Science.gov (United States)

    2010-11-17

    tetrazine1,4-dioxde ( DATO ), is investigated. Although these molecules are based on N -oxides of a tetrazine aromatic heterocyclic ring, their...nitramines, furazan, tetrazines, tetrazine-N oxides, terazoles, PETN, RDX,HMX,CL-20,DAATO,ACTO, DATO ,conical intersections Elliot R Bernstein Colorado State...Tetrazine-N-Oxide Based High Nitrogen Content Energetic Materials from Excited Electronic States," J. Chem. Phys. 131, 194304 (2009). A

  9. Quantum electrodynamics in the squeezed vacuum state Electron mass shift

    CERN Document Server

    Putz, V; Putz, Volkmar; Svozil, Karl

    2001-01-01

    Due to the nonvanishing average photon population of the squeezed vacuum state, finite corrections to the scattering matrix are obtained. The lowest order contribution to the electron mass shift for a one mode squeezed vacuum state is given by $\\delta m(\\Omega, s)/m=\\alpha (2/\\pi)(\\Omega /m)^2\\sinh^2(s)$, where $\\Omega$ and $s$ stand for the mode frequency and the squeeze parameter and $\\alpha$ for the fine structure constant, respectively.

  10. A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states.

    Science.gov (United States)

    Dou, Wenjie; Subotnik, Joseph E

    2016-08-07

    We present a very general form of electronic friction as present when a molecule with multiple orbitals hybridizes with a metal electrode. To develop this picture of friction, we embed the quantum-classical Liouville equation (QCLE) within a classical master equation (CME). Thus, this article extends our previous work analyzing the case of one electronic level, as we may now treat the case of multiple levels and many electronic molecular states. We show that, in the adiabatic limit, where electron transitions are much faster than nuclear motion, the QCLE-CME reduces to a Fokker-Planck equation, such that nuclei feel an average force as well as friction and a random force-as caused by their interaction with the metallic electrons. Finally, we show numerically and analytically that our frictional results agree with other published results calculated using non-equilibrium Green's functions. Numerical recipes for solving this QCLE-CME will be provided in a subsequent paper.

  11. Electronic states of graphene nanoribbons and analytical solutions

    Directory of Open Access Journals (Sweden)

    Katsunori Wakabayashi, Ken-ichi Sasaki, Takeshi Nakanishi and Toshiaki Enoki

    2010-01-01

    Full Text Available Graphene is a one-atom-thick layer of graphite, where low-energy electronic states are described by the massless Dirac fermion. The orientation of the graphene edge determines the energy spectrum of π-electrons. For example, zigzag edges possess localized edge states with energies close to the Fermi level. In this review, we investigate nanoscale effects on the physical properties of graphene nanoribbons and clarify the role of edge boundaries. We also provide analytical solutions for electronic dispersion and the corresponding wavefunction in graphene nanoribbons with their detailed derivation using wave mechanics based on the tight-binding model. The energy band structures of armchair nanoribbons can be obtained by making the transverse wavenumber discrete, in accordance with the edge boundary condition, as in the case of carbon nanotubes. However, zigzag nanoribbons are not analogous to carbon nanotubes, because in zigzag nanoribbons the transverse wavenumber depends not only on the ribbon width but also on the longitudinal wavenumber. The quantization rule of electronic conductance as well as the magnetic instability of edge states due to the electron–electron interaction are briefly discussed.

  12. Controlling autoionization in strontium two-electron-excited states

    Science.gov (United States)

    Fields, Robert; Zhang, Xinyue; Dunning, F. Barry; Yoshida, Shuhei; Burgdörfer, Joachim

    2016-05-01

    One challenge in engineering long-lived two-electron-excited states, i.e., so-called planetary atoms, is autoionization. Autoionization, however, can be suppressed if the outermost electron is placed in a high- n, n ~ 300 - 600 , high- L state because such states have only a very small overlap with the inner electron, even when this is also excited to a state of relatively high n and hence of relatively long lifetime. Here the L-dependence of the autoionization rate for high- n strontium Rydberg atoms is examined during excitation of the core ion 5 s 2S1 / 2 - 5 p 2P3 / 2 transition. Measurements in which the angular momentum of the Rydberg electron is controlled using a pulsed electric field show that the autoionization rate decreases rapidly with increasing L and becomes very small for values larger than ~ 20 . The data are analyzed with the aid of calculations undertaken using complex scaling. Research supported by the NSF and Robert A. Welch Foundation.

  13. Electron states in curved quantum structures with varying radius

    DEFF Research Database (Denmark)

    Gravesen, Jens; Willatzen, Morten

    2008-01-01

    The influence of size and shape is investigated for quantum-dot electronic states and intra-band oscillator strengths adapting a method originally due to Stevenson. The present work solves the one-band envelope-function problem for conduction-band eigenstates in the framework of k⋅p theory using ...

  14. Localized Electronic States near Dislocations in Transition Metals

    NARCIS (Netherlands)

    Hosson, J.Th.M. De

    1978-01-01

    This article outlines a model for calculating the localized states of a <100> edge dislocation in Mo. The model used for the calculations is based on the multiple-scattering model (SCF-Xα-SW). The purpose of this investigation is (1) to determine changes in the electronic structure of the lattice ne

  15. Student Satisfaction with Electronic Library Resources at Wayne State University

    Science.gov (United States)

    Holley, Robert P.; Powell, Ronald R.

    2004-01-01

    This paper reports the results of a survey of student satisfaction with electronic library resources other than the online catalog at Wayne State University. Undertaken in Fall Term 2000 as a class project for a marketing course, a student team designed, administered, and analyzed a survey of a random sample of students. Almost 40% of the…

  16. Graphene edges; localized edge state and electron wave interference

    Directory of Open Access Journals (Sweden)

    Enoki Toshiaki

    2012-03-01

    Full Text Available The electronic structure of massless Dirac fermion in the graphene hexagonal bipartite is seriously modified by the presence of edges depending on the edge chirality. In the zigzag edge, strongly spin polarized nonbonding edge state is created as a consequence of broken symmetry of pseudo-spin. In the scattering at armchair edges, the K-K’ intervalley transition gives rise to electron wave interference. The presence of edge state in zigzag edges is observed in ultra-high vacuum STM/STS observations. The electron wave interference phenomenon in the armchair edge is observed in the Raman G-band and the honeycomb superlattice pattern with its fine structure in STM images.

  17. Electronic density of states in sequence dependent DNA molecules

    Science.gov (United States)

    de Oliveira, B. P. W.; Albuquerque, E. L.; Vasconcelos, M. S.

    2006-09-01

    We report in this work a numerical study of the electronic density of states (DOS) in π-stacked arrays of DNA single-strand segments made up from the nucleotides guanine G, adenine A, cytosine C and thymine T, forming a Rudin-Shapiro (RS) as well as a Fibonacci (FB) polyGC quasiperiodic sequences. Both structures are constructed starting from a G nucleotide as seed and following their respective inflation rules. Our theoretical method uses Dyson's equation together with a transfer-matrix treatment, within an electronic tight-binding Hamiltonian model, suitable to describe the DNA segments modelled by the quasiperiodic chains. We compared the DOS spectra found for the quasiperiodic structure to those using a sequence of natural DNA, as part of the human chromosome Ch22, with a remarkable concordance, as far as the RS structure is concerned. The electronic spectrum shows several peaks, corresponding to localized states, as well as a striking self-similar aspect.

  18. Influence of scattering processes on electron quantum states in nanowires

    Directory of Open Access Journals (Sweden)

    Pozdnyakov Dmitry

    2007-01-01

    Full Text Available AbstractIn the framework of quantum perturbation theory the self-consistent method of calculation of electron scattering rates in nanowires with the one-dimensional electron gas in the quantum limit is worked out. The developed method allows both the collisional broadening and the quantum correlations between scattering events to be taken into account. It is an alternativeper seto the Fock approximation for the self-energy approach based on Green’s function formalism. However this approach is free of mathematical difficulties typical to the Fock approximation. Moreover, the developed method is simpler than the Fock approximation from the computational point of view. Using the approximation of stable one-particle quantum states it is proved that the electron scattering processes determine the dependence of electron energy versus its wave vector.

  19. Foucault's Pendulum, Analog for an Electron Spin State

    Science.gov (United States)

    Linck, Rebecca

    2012-11-01

    The classical Lagrangian that describes the coupled oscillations of Foucault's pendulum presents an interesting analog to an electron's spin state in an external magnetic field. With a simple modification, this classical Lagrangian yields equations of motion that directly map onto the Schrodinger-Pauli Equation. This analog goes well beyond the geometric phase, reproducing a broad range of behavior from Zeeman-like frequency splitting to precession of the spin state. By demonstrating that unmeasured spin states can be fully described in classical terms, this research opens the door to using the tools of classical physics to examine an inherently quantum phenomenon.

  20. The electronic properties of superatom states of hollow molecules.

    Science.gov (United States)

    Feng, Min; Zhao, Jin; Huang, Tian; Zhu, Xiaoyang; Petek, Hrvoje

    2011-05-17

    Electronic and optical properties of molecules and molecular solids are traditionally considered from the perspective of the frontier orbitals and their intermolecular interactions. How molecules condense into crystalline solids, however, is mainly attributed to the long-range polarization interaction. In this Account, we show that long-range polarization also introduces a distinctive set of diffuse molecular electronic states, which in quantum structures or solids can combine into nearly-free-electron (NFE) bands. These NFE properties, which are usually associated with good metals, are vividly evident in sp(2) hybridized carbon materials, specifically graphene and its derivatives. The polarization interaction is primarily manifested in the screening of an external charge at a solid/vacuum interface. It is responsible for the universal image potential and the associated unoccupied image potential (IP) states, which are observed even at the He liquid/vacuum interface. The molecular electronic properties that we describe are derived from the IP states of graphene, which float above and below the molecular plane and undergo free motion parallel to it. Rolling or wrapping a graphene sheet into a nanotube or a fullerene transforms the IP states into diffuse atom-like orbitals that are bound primarily to hollow molecular cores, rather than the component atoms. Therefore, we named them the superatom molecular orbitals (SAMOs). Like the excitonic states of semiconductor nanostructures or the plasmonic resonances of metallic nanoparticles, SAMOs of fullerene molecules, separated by their van der Waals distance, can combine to form diatomic molecule-like orbitals of C(60) dimers. For larger aggregates, they form NFE bands of superatomic quantum structures and solids. The overlap of the diffuse SAMO wavefunctions in van der Waals solids provides a different paradigm for band formation than the valence or conduction bands formed by interaction of the more tightly bound

  1. Foucault's pendulum, a classical analog for the electron spin state

    Science.gov (United States)

    Linck, Rebecca A.

    Spin has long been regarded as a fundamentally quantum phenomena that is incapable of being described classically. To bridge the gap and show that aspects of spin's quantum nature can be described classically, this work uses a classical Lagrangian based on the coupled oscillations of Foucault's pendulum as an analog for the electron spin state in an external magnetic field. With this analog it is possible to demonstrate that Foucault's pendulum not only serves as a basis for explaining geometric phase, but is also a basis for reproducing a broad range of behavior from Zeeman-like frequency splitting to precession of the spin state. By demonstrating that unmeasured electron spin states can be fully described in classical terms, this research opens the door to using the tools of classical physics to examine an inherently quantum phenomenon.

  2. Wet Macular Degeneration

    Science.gov (United States)

    ... macular degeneration Overview By Mayo Clinic Staff Wet macular degeneration is a chronic eye disease that causes blurred vision or a blind spot in your visual field. It's generally caused by abnormal blood vessels that leak fluid or blood into ... macular degeneration is one of two types of age-related ...

  3. Double Degenerate Stars

    Institute of Scientific and Technical Information of China (English)

    LUO Xin-Lian; BAI Hua; ZHAO Lei

    2008-01-01

    Regardless of the formation mechanism, an exotic object, the double degenerate star (DDS), is introduced and investigated, which is composed of baryonic matter and some unknown fermion dark matter. Different from the simple white dwarfs (WDs), there is additional gravitational force provided by the unknown fermion component inside DDSs, which may strongly affect the structure and the stability of such kind of objects. Many possible and strange observational phenomena connecting with them are concisely discussed. Similar to the normal WD, this object can also experience thermonuclear explosion as type Ia supernova explosion when DDS's mass exceeds the maximum mass that can be supported by electron degeneracy pressure. However, since the total mass of baryonic matter can be much lower than that of WD at Chandrasekhar mass limit, the peak luminosity should be much dimmer than what we expect before, which may throw a slight shadow on the standard candle of SN Ia in the research of cosmology.

  4. Electronically excited states of sodium-water clusters

    Science.gov (United States)

    Schulz, Claus Peter; Bobbert, Christiana; Shimosato, Taku; Daigoku, Kota; Miura, Nobuaki; Hashimoto, Kenro

    2003-12-01

    The lowest electronically excited state of small Na(H2O)n clusters has been investigated experimentally and theoretically. The excitation energy as determined by the depletion spectroscopy method drops from 16 950 cm-1 for the sodium atom down to 9670 cm-1 when only three water molecules are attached to the Na atom. For larger clusters the absorption band shifts back towards higher energies and reaches 10 880 cm-1 for n=12. The experimental data are compared to quantum-chemical calculations at the Møeller-Plesset second-order perturbation and multireference single and double excitation configuration interaction levels. We found that the observed size dependence of the transition energy is well reproduced by the interior structure where the sodium atom is surrounded by water molecules. The analysis of the radial charge distribution of the unpaired electron in these interior structures gives a new insight into the formation of the "solvated" electron.

  5. Electronic spectrum and localization of electronic states in aperiodic quantum dot chains

    Science.gov (United States)

    Korotaev, P. Yu.; Vekilov, Yu. Kh.; Kaputkina, N. E.

    2014-02-01

    The electronic energy spectra of aperiodic Thue-Morse, Rudin-Shapiro, and double-periodic quantum dot chains are investigated in the tight-binding approximation. The dependence of the spectrum on all parameters of a "mixed" aperiodic chain model is studied: the electronic energy at quantum dots and the hopping integrals. The electronic degree of localization in the chains under consideration is determined by analyzing the inverse participation ratio. Its spectral distribution and the dependence of the band-averaged degree of localization on these model parameters have been calculated. It is shown that a transition of the system's sites to a resonant state in which the degree of electron localization decreases, while an overlap between the subbands occurs in the spectrum is possible when the parameters are varied.

  6. Ultrarelativistic electron states in a general background electromagnetic field

    CERN Document Server

    Di Piazza, A

    2013-01-01

    The feasibility of obtaining analytical results in the realm of QED in the presence of a background electromagnetic field is almost exclusively limited to a few tractable cases, where the Dirac equation can be solved exactly in the corresponding background field. This circumstance has restricted, in particular, the theoretical analysis of QED processes in intense laser fields to within the plane-wave approximation even at those high intensities, achievable experimentally only by tightly focusing the laser energy in space. Here, we construct analytically quasiclassical one-particle electron states in the presence of a background electromagnetic field of general space-time structure in the realistic assumption that the initial energy of the electron is the largest scale in the problem. The relatively compact expression of these states opens, in particular, the possibility of investigating analytically strong-field QED processes in the presence of spatially focused laser beams, which is of particular relevance i...

  7. Electronic money in russia: current state and problems of development

    Directory of Open Access Journals (Sweden)

    T. G. Bondarenko

    2016-01-01

    Full Text Available Article is devoted to urgent problems of non-cash methods of calculation development by using electronic money – as one of the modern economically developed state strategic tasks. On modern economic science strong influence appears informatization process. The control expansion tendency, influence and distribution of commerce due to informatization of society led to emergence of the new phenomenon – information economy. Information economy brought new economic events which owing to their novelty are insufficiently studied to life. It is possible to carry electronic money to such phenomena of modern network economy Relevance and, in our opinion, timeliness of this scientific work, consisting in novelty of this non-cash payment method, its prospects and innovation within non-cash methods of calculations. Authors set as the purpose – studying of problems and the prospects of development of electronic money in the Russian Federation. In article theoretical bases of electronic money functioning are described. Determinations and classifications dismissed non-cash a method, and also the principles of electronic money functioning are considered, the questions of their historical development are raised.Authors analyzed statistical data on development of electronic services and channels of their using. Features, benefits and shortcomings of the current state of the market of electronic money are studied. The emphasis on that fact that in modern conditions considerable number of economic actors perform the activities, both in the real environment of economy, and within the virtual environment that promotes expansion of methods of their customer interaction by means of technical devices of personal computers, mobile phones is placed. In article common problems and tendencies of payments with using an electronic money are designated, the research on assessment of the current state and the prospects of electronic money

  8. Ground-state electronic structure of actinide monocarbides and mononitrides

    DEFF Research Database (Denmark)

    Petit, Leon; Svane, Axel; Szotek, Z.

    2009-01-01

    The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of the actinide ions in the actinide monocarbides, AC (A=U,Np,Pu,Am,Cm), and the actinide mononitrides, AN. The electronic structure is characterized by a gradually...... increasing degree of f electron localization from U to Cm, with the tendency toward localization being slightly stronger in the (more ionic) nitrides compared to the (more covalent) carbides. The itinerant band picture is found to be adequate for UC and acceptable for UN, while a more complex manifold...... of competing localized and delocalized f-electron configurations underlies the ground states of NpC, PuC, AmC, NpN, and PuN. The fully localized 5f-electron configuration is realized in CmC (f7), CmN (f7), and AmN (f6). The observed sudden increase in lattice parameter from PuN to AmN is found to be related...

  9. Theoretical characterization of low-lying electronic states of FCO

    Science.gov (United States)

    Francisco, Joseph S.; Goldstein, Avery N.; Robb, Michael A.; Williams, Ian H.

    1992-03-01

    The electronic and vibrational spectra of the fluoroformyl radical FCO are discussed in the light of ab initio (CASSCF(5 in 4)/6-31+G* and UMP2/6-311G*) calculated adiabatic and vertical transition energies, and vibrational frequencies, for the X 2A', A 2A″, B 2A', and C 2A″ states. Results for the formyl radical HCO are also presented for comparison.

  10. Electronic thermal conductivity in a superconducting vortex state

    Energy Technology Data Exchange (ETDEWEB)

    Adachi, H. [Department of Physics, Okayama University, Tsushima, Okayama 700-8530 (Japan)], E-mail: adachi@itp.phys.ethz.ch; Miranovic, P. [Department of Physics, University of Montenegro, Podgorica 81000 (Montenegro); Ichioka, M.; Machida, K. [Department of Physics, Okayama University, Tsushima, Okayama 700-8530 (Japan)

    2007-10-01

    The longitudinal component of the electronic thermal conductivity {kappa}{sub xx} in a superconducting vortex state is calculated as a function of magnetic field B. Calculations are performed by taking account of the spatial dependence of normal Green's function g, which was neglected in the previous studies using the Brandt-Pesch-Tewordt method. We discuss the possibility of using {kappa}{sub xx}(B) as a probe of the pair potential symmetry.

  11. Electronic thermal conductivity in a superconducting vortex state

    Science.gov (United States)

    Adachi, H.; Miranovic, P.; Ichioka, M.; Machida, K.

    2007-10-01

    The longitudinal component of the electronic thermal conductivity κxx in a superconducting vortex state is calculated as a function of magnetic field B. Calculations are performed by taking account of the spatial dependence of normal Green's function g, which was neglected in the previous studies using the Brandt-Pesch-Tewordt method. We discuss the possibility of using κxx(B) as a probe of the pair potential symmetry.

  12. Engineering electronic states of periodic and quasiperiodic chains by buckling

    Science.gov (United States)

    Mukherjee, Amrita; Nandy, Atanu; Chakrabarti, Arunava

    2017-07-01

    The spectrum of spinless, non-interacting electrons on a linear chain that is buckled in a non-uniform, quasiperiodic manner is investigated within a tight binding formalism. We have addressed two specific cases, viz., a perfectly periodic chain wrinkled in a quasiperiodic Fibonacci pattern, and a quasiperiodic Fibonacci chain, where the buckling also takes place in a Fibonacci pattern. The buckling brings distant neighbors in the parent chain to close proximity, which is simulated by a tunnel hopping amplitude. It is seen that, in the perfectly ordered case, increasing the strength of the tunnel hopping (that is, bending the segments more) absolutely continuous density of states is retained towards the edges of the band, while the central portion becomes fragmented and host subbands of narrowing widths containing extended, current carrying states, and multiple isolated bound states formed as a result of the bending. A switching ;on; and ;off; of the electronic transmission can thus be engineered by buckling. On the other hand, in the second example of a quasiperiodic Fibonacci chain, imparting a quasiperiodic buckling is found to generate continuous subband(s) destroying the usual multifractality of the energy spectrum. We present exact results based on a real space renormalization group analysis, that is corroborated by explicit calculation of the two terminal electronic transport.

  13. Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

    Science.gov (United States)

    Jones, D. B.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; Blanco, F.; García, G.; Brunger, M. J.

    2016-04-01

    We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

  14. Electron-electron bound states in parity-preserving QED{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Belich, H.; Helayel-Neto, J.A. [Universidade Catolica do Petropolis, RJ (Brazil). Grupo de Fisica Teorica]|[Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil). Coordenacao de Teoria de Campos e Particulas; Cima, O.M. del [Universidade Catolica do Petropolis, RJ (Brazil). Grupo de Fisica Teorica; Ferreira Junior, M.M. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil). Coordenacao de Teoria de Campos e Particulas]|[Maranhao Univ., Sao Luis, MA (Brazil). Dept. de Fisica

    2002-04-01

    By considering the Higgs mechanism in the framework of a parity-preserving Planar Quantum Electrodynamics, one shows that an attractive electron-electron interaction may dominate. The e{sup -}e{sup -} interaction potential emerges as the non-relativistic limit of the Moeller scattering amplitude and it results attractive with a suitable choice of parameters. Numerically values of the e{sup -}e{sup -} binding energy are obtained by solving the two-dimensional Schroedinger equation. The existence of bound states is a strong indicative that this model may be adopted to address the pairing mechanism of high-T{sub c} superconductivity. (author)

  15. Does the Higgs mechanism favour electron-electron bound states in Maxwell-Chern-Simons $QED_{3}$?

    CERN Document Server

    Belich, H; Helayël-Neto, José A

    2000-01-01

    The low-energy electron-electron scattering potential is derived and discussed for the Maxwell-Chern-Simons model coupled to QED_3 with spontaneous symmetry breaking. One shows that the Higgs mechanism might favour electron-electron bound states.

  16. Electronic excited states and relaxation dynamics in polymer heterojunction systems

    Science.gov (United States)

    Ramon, John Glenn Santos

    , we examine the effect of the nanoscale interfacial morphology and solvation on the electronic excited states of TFB/F8BT. Here, we employ time-dependent density functional theory (TD-DFT) to investigate the relevant excited states of two stacking configurations. We show that the calculated states agree with the excited states responsible for the experimentally observed emission peaks and that these states are blue shifted relative to those of the isolated chain. Furthermore, slight lateral shifts in the stacking orientation not only shift the excited state energies; more importantly, they alter the nature of these states altogether. Lastly, we see that solvation greatly stabilizes the charge-transfer states.

  17. Ab Initio Study of Electronic States of Astrophysically Important Molecules

    Science.gov (United States)

    Valiev, R. R.; Berezhnoy, A. A.; Minaev, B. F.; Chernov, V. E.; Cherepanov, V. N.

    2016-08-01

    A study of electronic states of LiO, NaO, KO, MgO, and CaO molecules has been performed. Potential energy curves of the investigated molecules have been constructed within the framework of the XMC-QDPT2 method. Lifetimes and efficiencies of photolysis mechanisms of these monoxides have been estimated within the framework of an analytical model of photolysis. The results obtained show that oxides of the considered elements in the exospheres of the Moon and Mercury are destroyed by solar photons during the first ballistic flight.

  18. Topology and quantum states: The electron-monopole system

    Science.gov (United States)

    Di Cosmo, F.; Marmo, G.; Zampini, A.

    2016-09-01

    This paper starts by describing the dynamics of the electron-monopole system at both classical and quantum level by a suitable reduction procedure. This suggests, in order to realise the space of states for quantum systems which are classically described on topologically non-trivial configuration spaces, to consider Hilbert spaces of exterior differential forms. Among the advantages of this formulation, we present--in the case of the group SU(2) , how it is possible to obtain all unitary irreducible representations on such a Hilbert space, and how it is possible to write scalar Dirac-type operators, following an idea by Kähler.

  19. Emission of correlated electron pairs from Au(111) and Cu(111) surfaces under low-energy electron impact: Contribution of surface states, d-states and spin effects

    Energy Technology Data Exchange (ETDEWEB)

    Samarin, S., E-mail: samar@physics.uwa.edu.au [Centre for Atomic, Molecular and Surface Physics, University of Western Australia, Perth, WA 6009 (Australia); Research Institute of Physics, St. Petersburg University, St. Petersburg (Russian Federation); Artamonov, O.M. [Research Institute of Physics, St. Petersburg University, St. Petersburg (Russian Federation); Guagliardo, P. [Centre for Microscopy, Characterisation and Analysis, UWA, Perth (Australia); Pravica, L. [Centre for Atomic, Molecular and Surface Physics, University of Western Australia, Perth, WA 6009 (Australia); Baraban, A. [Research Institute of Physics, St. Petersburg University, St. Petersburg (Russian Federation); Schumann, F.O. [Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle (Germany); Williams, J.F. [Centre for Atomic, Molecular and Surface Physics, University of Western Australia, Perth, WA 6009 (Australia)

    2015-01-15

    Highlights: • Spin-polarized two-electron spectroscopy (e,2e) was applied for studying surface states on Cu(111) and Au(111). • Relative (to d-states) contribution of surface states in the (e,2e) spectrum decreases exponentially when primary electron energy increases from 14 to 30 eV. • Spin asymmetry is readily observed in the spectra of Au(111) whereas in the spectra of Cu(111) the spin effect is negligible. - Abstract: The emission of correlated electron pairs excited from surfaces of Au(111) and Cu(111) by low-energy electrons is measured and analyzed. Energy and momentum conservation allows identification of electron pairs involving excitation of electrons from Shockley surface states and from valence d-states. The relative contributions of surface and d-states to the measured spectra of correlated electron pairs is shown to depend on the primary electron energy and is larger from surface states at relatively small primary energies. The use of a spin-polarized incident electron beam highlights the spin effects in producing an electron pair. Measurements show that spin effects are larger for the pair excitation from the valence d-states than for pairs excited from the surface states.

  20. Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nenov, Artur, E-mail: Artur.Nenov@unibo.it; Giussani, Angelo; Segarra-Martí, Javier; Jaiswal, Vishal K. [Dipartimento di Chimica “G. Ciamician,” Università di Bologna, Via Selmi 2, IT-40126 Bologna (Italy); Rivalta, Ivan [Université de Lyon, CNRS, Institut de Chimie de Lyon, École Normale Supérieure de Lyon, 46 Allée d’Italie, F-69364 Lyon Cedex 07 (France); Cerullo, Giulio [Dipartimento di Fisica, Politecnico di Milano, IFN-CNR, Piazza Leonardo Da Vinci 32, IT-20133 Milano (Italy); Mukamel, Shaul [Department of Chemistry, University of California, Irvine, California 92697-2025 (United States); Garavelli, Marco, E-mail: marco.garavelli@unibo.it, E-mail: marco.garavelli@ens-lyon.fr [Dipartimento di Chimica “G. Ciamician,” Università di Bologna, Via Selmi 2, IT-40126 Bologna (Italy); Université de Lyon, CNRS, Institut de Chimie de Lyon, École Normale Supérieure de Lyon, 46 Allée d’Italie, F-69364 Lyon Cedex 07 (France)

    2015-06-07

    Pump-probe electronic spectroscopy using femtosecond laser pulses has evolved into a standard tool for tracking ultrafast excited state dynamics. Its two-dimensional (2D) counterpart is becoming an increasingly available and promising technique for resolving many of the limitations of pump-probe caused by spectral congestion. The ability to simulate pump-probe and 2D spectra from ab initio computations would allow one to link mechanistic observables like molecular motions and the making/breaking of chemical bonds to experimental observables like excited state lifetimes and quantum yields. From a theoretical standpoint, the characterization of the electronic transitions in the visible (Vis)/ultraviolet (UV), which are excited via the interaction of a molecular system with the incoming pump/probe pulses, translates into the determination of a computationally challenging number of excited states (going over 100) even for small/medium sized systems. A protocol is therefore required to evaluate the fluctuations of spectral properties like transition energies and dipole moments as a function of the computational parameters and to estimate the effect of these fluctuations on the transient spectral appearance. In the present contribution such a protocol is presented within the framework of complete and restricted active space self-consistent field theory and its second-order perturbation theory extensions. The electronic excited states of adenine have been carefully characterized through a previously presented computational recipe [Nenov et al., Comput. Theor. Chem. 1040–1041, 295-303 (2014)]. A wise reduction of the level of theory has then been performed in order to obtain a computationally less demanding approach that is still able to reproduce the characteristic features of the reference data. Foreseeing the potentiality of 2D electronic spectroscopy to track polynucleotide ground and excited state dynamics, and in particular its expected ability to provide

  1. Detection of pulsed neutrons with solid-state electronics

    Science.gov (United States)

    Chatzakis, J.; Rigakis, I.; Hassan, S. M.; Clark, E. L.; Lee, P.

    2016-09-01

    Measurements of the spatial and time-resolved characteristics of pulsed neutron sources require large area detection materials and fast circuitry that can process the electronic pulses readout from the active region of the detector. In this paper, we present a solid-state detector based on the nuclear activation of materials by neutrons, and the detection of the secondary particle emission of the generated radionuclides’ decay. The detector utilizes a microcontroller that communicates using a modified SPI protocol. A solid-state, pulse shaping filter follows a charge amplifier, and it is designed as an inexpensive, low-noise solution for measuring pulses measured by a digital counter. An imaging detector can also be made by using an array of these detectors. The system can communicate with an interface unit and pass an image to a personal computer.

  2. Electronic states of InSe/GaSe superlattice

    Science.gov (United States)

    Erkoç, Ş.; Allahverdi, K.; Ibrahim, Z.

    1994-06-01

    Analysis of recent publications revealed an increasing interest in epitaxial growth of InSe/GaSe superlattice. Within the effective mass theory we carried out self-consistent calculations of the confined and itinerant electronic states, potential profile and charge density distribution of InSe/GaSe superlattice, where the InSe layers are the well and the GaSe layers the barrier. Calculations were performed for three types of doping: uniform, modulated in the well, and modulated in the barrier. It has been found that the Coulomb interaction in the well and barrier forces the formation of localized states in the barrier region. The possibility of an insulator-metal transition in InSe/GaSe superlattice is predicted for modulation doping in the barrier and for a doping level n = 10 19cm-3. A decrease of the barrier height has been found for modulation doping in the well.

  3. Radical ions with nearly degenerate ground state: correlation between the rate of spin-lattice relaxation and the structure of adiabatic potential energy surface.

    Science.gov (United States)

    Borovkov, V I; Beregovaya, I V; Shchegoleva, L N; Potashov, P A; Bagryansky, V A; Molin, Y N

    2012-09-14

    Paramagnetic spin-lattice relaxation (SLR) in radical cations (RCs) of the cycloalkane series in liquid solution was studied and analyzed from the point of view of the correlation between the relaxation rate and the structure of the adiabatic potential energy surface (PES) of the RCs. SLR rates in the RCs formed in x-ray irradiated n-hexane solutions of the cycloalkanes studied were measured with the method of time-resolved magnetic field effect in the recombination fluorescence of spin-correlated radical ion pairs. Temperature and, for some cycloalkanes, magnetic field dependences of the relaxation rate were determined. It was found that the conventional Redfield theory of the paramagnetic relaxation as applied to the results on cyclohexane RC, gave a value of about 0.2 ps for the correlation time of the perturbation together with an unrealistically high value of 0.1 T in field units for the matrix element of the relaxation transition. The PES structure was obtained with the DFT quantum-chemical calculations. It was found that for all of the cycloalkanes RCs considered, including low symmetric alkyl-substituted ones, the adiabatic PESes were surfaces of pseudorotation due to avoided crossing. In the RCs studied, a correlation between the SLR rate and the calculated barrier height to the pseudorotation was revealed. For RCs with a higher relaxation rate, the apparent activation energies for the SLR were similar to the calculated heights of the barrier. To rationalize the data obtained it was assumed that the vibronic states degeneracy, which is specific for Jahn-Teller active cyclohexane RC, was approximately kept in the RCs of substituted cycloalkanes for the vibronic states with the energies above and close to the barrier height to the pseudorotation. It was proposed that the effective spin-lattice relaxation in a radical with nearly degenerate low-lying vibronic states originated from stochastic crossings of the vibronic levels that occur due to fluctuations of

  4. Degenerate Euler zeta function

    OpenAIRE

    Kim, Taekyun

    2015-01-01

    Recently, T. Kim considered Euler zeta function which interpolates Euler polynomials at negative integer (see [3]). In this paper, we study degenerate Euler zeta function which is holomorphic function on complex s-plane associated with degenerate Euler polynomials at negative integers.

  5. Electronic spin state of iron in lower mantle perovskite.

    Science.gov (United States)

    Li, Jie; Struzhkin, Viktor V; Mao, Ho-Kwang; Shu, Jinfu; Hemley, Russell J; Fei, Yingwei; Mysen, Bjorn; Dera, Przemek; Prakapenka, Vitali; Shen, Guoyin

    2004-09-28

    The electronic spin state of iron in lower mantle perovskite is one of the fundamental parameters that governs the physics and chemistry of the most voluminous and massive shell in the Earth. We present experimental evidence for spin-pairing transition in aluminum-bearing silicate perovskite (Mg,Fe)(Si,Al)O(3) under the lower mantle pressures. Our results demonstrate that as pressure increases, iron in perovskite transforms gradually from the initial high-spin state toward the final low-spin state. At 100 GPa, both aluminum-free and aluminum-bearing samples exhibit a mixed spin state. The residual magnetic moment in the aluminum-bearing perovskite is significantly higher than that in its aluminum-free counterpart. The observed spin evolution with pressure can be explained by the presence of multiple iron species and the occurrence of partial spin-paring transitions in the perovskite. Pressure-induced spin-pairing transitions in the perovskite would have important bearing on the magnetic, thermoelastic, and transport properties of the lower mantle, and on the distribution of iron in the Earth's interior.

  6. Photodissociation of CCH: Classical trajectory calculations involving seven electronic states

    Science.gov (United States)

    Apaydın, Gökşin; Fink, William H.; Jackson, William M.

    2004-11-01

    The photodissociation dynamics of ethynyl radical, C2H, involving seven electronic states is studied by classical trajectory calculations. Initial values of the trajectories are selected based on relative absorption intensities calculated by Mebel et al. The energies and the derivatives are interpolated by three-dimensional cubic spline interpolator using an extended data pool. Mean square errors and standard deviations in interpolation of energies for 450 data points are found to be in the range 3.1×10-6-1.4×10-5 and 1.7×10-3-3.8×10-3 hartrees, respectively. The photofragments of C2 and H are produced mainly in the X 1Σg+, a 3Πu, b 3Σg-, c 3Σu+, A 1Πu, B 1Δg electronic states of C2 as product. The avoided crossings do not appear to be in the main dissociation pathways. The internal distributions are in good accord with the experimental results where comparison is possible, suggesting that the fragmentation mechanism of C2H2 into C2 and H is a two step process involving C2H radical as an intermediate with a life time long enough to allow complete collection of the phase space in the experiments.

  7. Linear energy relationships in ground state proton transfer and excited state proton-coupled electron transfer.

    Science.gov (United States)

    Gamiz-Hernandez, Ana P; Magomedov, Artiom; Hummer, Gerhard; Kaila, Ville R I

    2015-02-12

    Proton-coupled electron transfer (PCET) processes are elementary chemical reactions involved in a broad range of radical and redox reactions. Elucidating fundamental PCET reaction mechanisms are thus of central importance for chemical and biochemical research. Here we use quantum chemical density functional theory (DFT), time-dependent density functional theory (TDDFT), and the algebraic diagrammatic-construction through second-order (ADC(2)) to study the mechanism, thermodynamic driving force effects, and reaction barriers of both ground state proton transfer (pT) and photoinduced proton-coupled electron transfer (PCET) between nitrosylated phenyl-phenol compounds and hydrogen-bonded t-butylamine as an external base. We show that the obtained reaction barriers for the ground state pT reactions depend linearly on the thermodynamic driving force, with a Brønsted slope of 1 or 0. Photoexcitation leads to a PCET reaction, for which we find that the excited state reaction barrier depends on the thermodynamic driving force with a Brønsted slope of 1/2. To support the mechanistic picture arising from the static potential energy surfaces, we perform additional molecular dynamics simulations on the excited state energy surface, in which we observe a spontaneous PCET between the donor and the acceptor groups. Our findings suggest that a Brønsted analysis may distinguish the ground state pT and excited state PCET processes.

  8. Evaluating Electronic Couplings for Excited State Charge Transfer Based on Maximum Occupation Method ΔSCF Quasi-Adiabatic States.

    Science.gov (United States)

    Liu, Junzi; Zhang, Yong; Bao, Peng; Yi, Yuanping

    2017-02-14

    Electronic couplings of charge-transfer states with the ground state and localized excited states at the donor/acceptor interface are crucial parameters for controlling the dynamics of exciton dissociation and charge recombination processes in organic solar cells. Here we propose a quasi-adiabatic state approach to evaluate electronic couplings through combining maximum occupation method (mom)-ΔSCF and state diabatization schemes. Compared with time-dependent density functional theory (TDDFT) using global hybrid functional, mom-ΔSCF is superior to estimate the excitation energies of charge-transfer states; moreover it can also provide good excited electronic state for property calculation. Our approach is hence reliable to evaluate electronic couplings for excited state electron transfer processes, which is demonstrated by calculations on a typical organic photovoltaic system, oligothiophene/perylenediimide complex.

  9. 75 FR 3463 - Cross-Media Electronic Reporting Rule State Authorized Program Revision Approval: State of North...

    Science.gov (United States)

    2010-01-21

    ... From the Federal Register Online via the Government Publishing Office ENVIRONMENTAL PROTECTION AGENCY Cross-Media Electronic Reporting Rule State Authorized Program Revision Approval: State of North...'s approval, under regulations for Cross-Media Electronic Reporting, of the State of North Carolina's...

  10. 75 FR 1617 - Cross-Media Electronic Reporting Rule State Authorized Program Revision Approval: State of New York

    Science.gov (United States)

    2010-01-12

    ... From the Federal Register Online via the Government Publishing Office ] ENVIRONMENTAL PROTECTION AGENCY Cross-Media Electronic Reporting Rule State Authorized Program Revision Approval: State of New...'s approval, under regulations for Cross-Media Electronic Reporting, of the State of New York's...

  11. 75 FR 65627 - Cross-Media Electronic Reporting Rule State Authorized Program Revision Approval: State of Arkansas

    Science.gov (United States)

    2010-10-26

    ... From the Federal Register Online via the Government Publishing Office ENVIRONMENTAL PROTECTION AGENCY Cross-Media Electronic Reporting Rule State Authorized Program Revision Approval: State of...'s approval, under regulations for Cross-Media Electronic Reporting, of the State of Arkansas's...

  12. Electron impact excitation and assignment of the low-lying electronic states of CO2

    Science.gov (United States)

    Hall, R. I.; Trajmar, S.

    1973-01-01

    Electron scattering spectra of CO2 are reported in the 7 to 10 eV energy-loss range, at energies of 0.2, 0.35, 0.6, 0.7, and 7.0 eV above threshold, and at a scattering angle of 90 deg. Several new distinct overlapping continua with weak, diffuse bands superimposed are observed to lie in this energy-loss range. The experimental spectra are discussed in the light of recent ab initio configuration-interaction calculations of the vertical transition energies of CO2. The experimental spectra are shown to be consistent with the excitation states of CO2.

  13. Quantum information analysis of electronic states at different molecular structures

    CERN Document Server

    Barcza, G; Marti, K H; Reiher, M

    2010-01-01

    We have studied transition metal clusters from a quantum information theory perspective using the density-matrix renormalization group (DMRG) method. We demonstrate the competition between entanglement and interaction localization. We also discuss the application of the configuration interaction based dynamically extended active space procedure which significantly reduces the effective system size and accelerates the speed of convergence for complicated molecular electronic structures to a great extent. Our results indicate the importance of taking entanglement among molecular orbitals into account in order to devise an optimal orbital ordering and carry out efficient calculations on transition metal clusters. We propose a recipe to perform DMRG calculations in a black-box fashion and we point out the connections of our work to other tensor network state approaches.

  14. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

    Energy Technology Data Exchange (ETDEWEB)

    Morini, Filippo; Deleuze, Michael Simon, E-mail: michael.deleuze@uhasselt.be [Center of Molecular and Materials Modelling, Hasselt University, Agoralaan Gebouw D, B-3590 Diepenbeek (Belgium); Watanabe, Noboru; Kojima, Masataka; Takahashi, Masahiko [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)

    2015-10-07

    The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b{sub 1}, 6a{sub 1}, 4b{sub 2}, and 1a{sub 2} orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A{sub 1}, B{sub 1}, and B{sub 2} symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.

  15. The electron-furfural scattering dynamics for 63 energetically open electronic states

    Science.gov (United States)

    da Costa, Romarly F.; do N. Varella, Márcio T.; Bettega, Márcio H. F.; Neves, Rafael F. C.; Lopes, Maria Cristina A.; Blanco, Francisco; García, Gustavo; Jones, Darryl B.; Brunger, Michael J.; Lima, Marco A. P.

    2016-03-01

    We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C5H4O2). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (Nopen) at either the static-exchange (Nopen ch-SE) or the static-exchange-plus-polarisation (Nopen ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.

  16. Phase space methods for degenerate quantum gases

    CERN Document Server

    Dalton, Bryan J; Barnett, Stephen M

    2015-01-01

    Recent experimental progress has enabled cold atomic gases to be studied at nano-kelvin temperatures, creating new states of matter where quantum degeneracy occurs - Bose-Einstein condensates and degenerate Fermi gases. Such quantum states are of macroscopic dimensions. This book presents the phase space theory approach for treating the physics of degenerate quantum gases, an approach already widely used in quantum optics. However, degenerate quantum gases involve massive bosonic and fermionic atoms, not massless photons. The book begins with a review of Fock states for systems of identical atoms, where large numbers of atoms occupy the various single particle states or modes. First, separate modes are considered, and here the quantum density operator is represented by a phase space distribution function of phase space variables which replace mode annihilation, creation operators, the dynamical equation for the density operator determines a Fokker-Planck equation for the distribution function, and measurable...

  17. Pseudopotential and full-electron DFT calculations of thermodynamic properties of electrons in metals and semiempirical equations of state.

    Science.gov (United States)

    Levashov, P R; Sin'ko, G V; Smirnov, N A; Minakov, D V; Shemyakin, O P; Khishchenko, K V

    2010-12-22

    In the present work, we compare the thermal contribution of electrons to thermodynamic functions of metals in different models at high densities and electron temperatures. One of the theoretical approaches, the full-potential linear-muffin-tin-orbital method, treats all electrons in the framework of density functional theory (DFT). The other approach, VASP, uses projector-augmented-wave pseudopotentials for the core electrons and considers the valent electrons also in the context of DFT. We analyze the limitations of the pseudopotential approach and compare the DFT results with a finite-temperature Thomas-Fermi model and two semiempirical equations of state.

  18. Possible correlation effects of surface state electrons on a solid hydrogen film

    NARCIS (Netherlands)

    Mugele, Friedrich Gunther; Albrecht, Uwe; Leiderer, Paul; Kono, Kimitoshi

    1992-01-01

    We have investigated the transport properties of surface state electrons on thin quench-condensed hydrogen films for various electron densities. The surface state electron mobility showed a continuous dependence on the plasma parameter Gamma in the range from 20 to 130, indicating a strong influence

  19. Observation of Zero-Dimensional States in a One-Dimensional Electron Interferometer

    NARCIS (Netherlands)

    Wees, B.J. van; Kouwenhoven, L.P.; Harmans, C.J.P.M.; Williamson, J.G.; Timmering, C.E.; Broekaart, M.E.I.; Foxon, C.T.; Harris, J.J.

    1989-01-01

    We have studied the electron transport in a one-dimensional electron interferometer. It consists of a disk-shaped two-dimensional electron gas, to which quantum point contacts are attached. Discrete zero-dimensional states are formed due to constructive interference of electron waves traveling along

  20. Management of neovascular age-related macular degeneration: current state-of-the-art care for optimizing visual outcomes and therapies in development

    OpenAIRE

    Agarwal A; Rhoades WR; Hanout M; Soliman MK; Sarwar S.; Sadiq MA; Sepah YJ; Do DV; Nguyen QD

    2015-01-01

    Aniruddha Agarwal, William R Rhoades, Mostafa Hanout, Mohamed Kamel Soliman, Salman Sarwar, Mohammad Ali Sadiq, Yasir Jamal Sepah, Diana V Do, Quan Dong Nguyen Stanley M Truhlsen Eye Institute, University of Nebraska Medical Center, Omaha, NE, USA Abstract: Contemporary management of neovascular age-related macular degeneration (AMD) has evolved significantly over the last few years. The goal of treatment is shifting from merely salvaging vision to maintaining a high quality of life. There ...

  1. 77 FR 58131 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Mississippi

    Science.gov (United States)

    2012-09-19

    ... From the Federal Register Online via the Government Publishing Office ENVIRONMENTAL PROTECTION AGENCY Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Mississippi... allow electronic reporting. DATES: EPA's approval is effective on September 19, 2012. FOR FURTHER...

  2. Regularized degenerate multi-solitons

    CERN Document Server

    Correa, Francisco

    2016-01-01

    We report complex PT-symmetric multi-soliton solutions to the Korteweg de-Vries equation that asymptotically contain one-soliton solutions, with each of them possessing the same amount of finite real energy. We demonstrate how these solutions originate from degenerate energy solutions of the Schroedinger equation. Technically this is achieved by the application of Darboux-Crum transformations involving Jordan states with suitable regularizing shifts. Alternatively they may be constructed from a limiting process within the context Hirota's direct method or on a nonlinear superposition obtained from multiple Baecklund transformations. The proposed procedure is completely generic and also applicable to other types of nonlinear integrable systems.

  3. Ultrafast electronic relaxation of excited state vitamin B{sub 12} in the gas phase

    Energy Technology Data Exchange (ETDEWEB)

    Shafizadeh, Niloufar [Laboratoire de Photophysique Moleculaire, U.P.R. 3361 CNRS Bat 210, Universite de Paris-Sud, 91405 Orsay, Cedex (France)], E-mail: Niloufar.Shafizadeh@u-psud.fr; Poisson, Lionel; Soep, Benoit [Laboratoire Francis Perrin, CEA/DSM/DRECAM/SPAM - CNRS URA 2453, CEA Saclay, 91191 Gif-sur-Yvette Cedex (France)

    2008-06-23

    The time evolution of electronically excited vitamin B{sub 12} (cyanocobalamin) has been observed for the first time in the gas phase. It reveals an ultrafast decay to a state corresponding to metal excitation. This decay is interpreted as resulting from a ring to metal electron transfer. This opens the observation of the excited state of other complex biomimetic systems in the gas phase, the key to the characterisation of their complex evolution through excited electronic states.

  4. Ultrafast electronic relaxation of excited state vitamin B 12 in the gas phase

    Science.gov (United States)

    Shafizadeh, Niloufar; Poisson, Lionel; Soep, Benoıˆt

    2008-06-01

    The time evolution of electronically excited vitamin B 12 (cyanocobalamin) has been observed for the first time in the gas phase. It reveals an ultrafast decay to a state corresponding to metal excitation. This decay is interpreted as resulting from a ring to metal electron transfer. This opens the observation of the excited state of other complex biomimetic systems in the gas phase, the key to the characterisation of their complex evolution through excited electronic states.

  5. Vortices as degenerate metrics

    CERN Document Server

    Baptista, J M

    2012-01-01

    We note that the Bogomolny equation for abelian vortices is precisely the condition for invariance of the Hermitian-Einstein equation under a degenerate conformal transformation. This leads to a natural interpretation of vortices as degenerate hermitian metrics that satisfy a certain curvature equation. Using this viewpoint, we rephrase standard results about vortices and make some new observations. We note the existence of a conceptually simple, non-linear rule for superposing vortex solutions, and we describe the natural behaviour of the L^2-metric on the moduli space upon certain restrictions.

  6. [Electron transfer, ionization, and excitation in atomic collisions]. [Pennsylvania State Univ

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    Fundamental processes of electron transfer, ionization, and excitation in ion-atom and ion-ion collisions are studied. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-ion core can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. At intermediate collision energies (e.g., proton energies for p-He[sup +] collisions on the order of 100 kilo-electron volts), many electronic states are strongly coupled during the collision, a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. At higher collision energies (million electron-volt energies) the coupling is weaker with, however, many more states being coupled together, so that high-order perturbation theory is essential.

  7. Some Chemical and Electronic Considerations of Solid State Semiconductor Crystals.

    Science.gov (United States)

    Hinitz, Herman J.

    1986-01-01

    Describes the trend toward the use of electronic instrumentation to monitor and measure various parameters in chemical reactions. Stresses that a knowledge of the operational relationships involved in such instruments is essential for students beginning in science. Discusses electrostatic charges, semiconductor crystals, electronic conductors,…

  8. Nonclassical properties of electronic states of aperiodic chains in a homogeneous electric field

    Science.gov (United States)

    Spisak, B. J.; Wołoszyn, M.

    2009-07-01

    The electronic energy levels of one-dimensional aperiodic systems driven by a homogeneous electric field are studied by means of a phase-space description based on the Wigner distribution function. The formulation provides physical insight into the quantum nature of the electronic states for the aperiodic systems generated by the Fibonacci and Thue-Morse sequences. The nonclassical parameter for electronic states is studied as a function of the magnitude of homogeneous electric field to achieve the main result of this work, which is to prove that the nonclassical properties of the electronic states in the aperiodic systems determine the transition probability between electronic states in the region of anticrossings. The localization properties of electronic states and the uncertainty product of momentum and position variables are also calculated as functions of the electric field.

  9. The current state of electronic consultation and electronic referral systems in Canada: an environmental scan.

    Science.gov (United States)

    Liddy, Clare; Hogel, Matthew; Blazkho, Valerie; Keely, Erin

    2015-01-01

    Access to specialist care is a point of concern for patients, primary care providers, and specialists in Canada. Innovative e-health platforms such as electronic consultation (eConsultation) and referral (eReferral) can improve access to specialist care. These systems allow physicians to communicate asynchronously and could reduce the number of unnecessary referrals that clog wait lists, provide a record of the patient's journey through the referral system, and lead to more efficient visits. Little is known about the current state of eConsultation and eReferral in Canada. The purpose of this work was to identify current systems and gain insight into the design and implementation process of existing systems. An environmental scan approach was used, consisting of a systematic and grey literature review, and targeted semi-structured key informant interviews. Only three eConsultation/eReferral systems are currently in operation in Canada. Four themes emerged from the interviews: eReferral is an end goal for those provinces without an active eReferral system, re-organization of the referral process is a necessity prior to automation, engaging the end-user is essential, and technological incompatibilities are major impediments to progress. Despite the acknowledged need to improve the referral system and increase government spending on health information technology, eConsultation and eReferral systems remain scarce as Canada lags behind the rest of the developed world.

  10. All Electron ab initio Investigations of the Three Lowest Lying Electronic States of the RuC Molecule

    DEFF Research Database (Denmark)

    Shim, Irene; Gingerich, K. A.

    2000-01-01

    The three lowest-lying electronic states of RuC, (1)Sigma(+), (3)Delta, and (1)Delta, have been investigated by performing all-electron ab initio multi-configuration self-consistent-field (CASSCF) and multi-reference configuration interaction (MRCI) calculations including relativistic corrections....... The electronic ground state is derived as (1)Sigma(+) with the spectroscopic constants r(e) = 1.616 Angstrom and omega(e) = 1085 cm(-1). The lowest-lying excited state, (3)Delta, has r(e) = 1.632 Angstrom, omega(e) = 1063 cm(-1), and T-e = 912 cm(-1). These results are consistent with recent spectroscopic values....... The chemical bonds in all three lowest-lying states are triple bonds composed of one sigma and two pi bonds. (C) 2000 Elsevier Science B.V. All rights reserved....

  11. Diagnostics of many-particle electronic states: non-stationary currents and residual charge dynamics

    Science.gov (United States)

    Maslova, N. S.; Mantsevich, V. N.; Arseyev, P. I.

    2017-01-01

    We propose the method for identifying many particle electronic states in the system of coupled quantum dots (impurities) with Coulomb correlations. We demonstrate that different electronic states can be distinguished by the complex analysis of localized charge dynamics and non-stationary characteristics. We show that localized charge time evolution strongly depends on the properties of initial state and analyze different time scales in charge kinetics for initially prepared singlet and triplet states. We reveal the conditions for existence of charge trapping effects governed by the selection rules for electron transitions between the states with different occupation numbers.

  12. Kraepelin and degeneration theory.

    Science.gov (United States)

    Hoff, Paul

    2008-06-01

    Emil Kraepelin's contribution to the clinical and scientific field of psychiatry is recognized world-wide. In recent years, however, there have been a number of critical remarks on his acceptance of degeneration theory in particular and on his political opinion in general, which was said to have carried "overtones of proto-fascism" by Michael Shepherd [28]. The present paper discusses the theoretical cornerstones of Kraepelinian psychiatry with regard to their relevance for Kraepelin's attitude towards degeneration theory. This theory had gained wide influence not only in scientific, but also in philosophical and political circles in the last decades of the nineteenth century. There is no doubt that Kraepelin, on the one hand, accepted and implemented degeneration theory into the debate on etiology and pathogenesis of mental disorders. On the other hand, it is not appropriate to draw a simple and direct line from early versions of degeneration theory to the crimes of psychiatrists and politicians during the rule of national socialism. What we need, is a differentiated view, since this will be the only scientific one. Much research needs to be done here in the future, and such research will surely have a significant impact not only on the historical field, but also on the continuous debate about psychiatry, neuroscience and neurophilosophy.

  13. Demonstration of Degenerate Vector Phase-Sensitive Amplification

    OpenAIRE

    Riesgo, A.L.; Karlsson, M.; Lundstrm, C.; Andrekson, P. A.

    2013-01-01

    The performance of a degenerate vector (dual cross-polarized pump) phase-sensitive amplifier (PSA) is characterized and compared to a degenerate scalar (dual co-polarized pump) PSA. In both schemes, we assess the gain as a function of the signal state of polarization, verifying its compliance with theory, and the phase transfer function. PSOPA

  14. X-82 to Treat Age-related Macular Degeneration

    Science.gov (United States)

    2017-01-12

    Age-Related Macular Degeneration (AMD); Macular Degeneration; Exudative Age-related Macular Degeneration; AMD; Macular Degeneration, Age-related, 10; Eye Diseases; Retinal Degeneration; Retinal Diseases

  15. The Low-Lying Electronic States of LiB

    Science.gov (United States)

    Ricca, Alessandra; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    The spectroscopic constants for the triplet and singlet states of LiB below about 30 000/ cm are determined using an internally contracted multireference configuration interaction approach in conjunction with [6s 5p 3d 2f] atomic natural orbital basis sets. The ground state is (sup 3)Pi as found in previous work. No excited triplet states are found to be ideal for characterizing the ground state; the (1)(sup 3)Sigma(sup -) state has a transition energy that is too small for many experimental approaches and the (2)(sup 3)Pi and (3)(sup 3)Pi states have bond lengths that are significantly longer than the ground state, resulting in transition intensities that are spread out over many vibrational levels of the ground state.

  16. Polaron Model of the Formation of Hydrated Electron States

    OpenAIRE

    2015-01-01

    A computer simulation of the formation of photoexcited electrons in water is performed within the framework of a dynamic model. The obtained results are discussed in comparison with experimental data and theoretical estimates.

  17. Dynamics of photoionization from molecular electronic wavepacket states in intense pulse laser fields: A nonadiabatic electron wavepacket study

    Science.gov (United States)

    Matsuoka, Takahide; Takatsuka, Kazuo

    2017-04-01

    A theory for dynamics of molecular photoionization from nonadiabatic electron wavepackets driven by intense pulse lasers is proposed. Time evolution of photoelectron distribution is evaluated in terms of out-going electron flux (current of the probability density of electrons) that has kinetic energy high enough to recede from the molecular system. The relevant electron flux is in turn evaluated with the complex-valued electronic wavefunctions that are time evolved in nonadiabatic electron wavepacket dynamics in laser fields. To uniquely rebuild such wavefunctions with its electronic population being lost by ionization, we adopt the complex-valued natural orbitals emerging from the electron density as building blocks of the total wavefunction. The method has been implemented into a quantum chemistry code, which is based on configuration state mixing for polyatomic molecules. Some of the practical aspects needed for its application will be presented. As a first illustrative example, we show the results of hydrogen molecule and its isotope substitutes (HD and DD), which are photoionized by a two-cycle pulse laser. Photon emission spectrum associated with above threshold ionization is also shown. Another example is taken from photoionization dynamics from an excited state of a water molecule. Qualitatively significant effects of nonadiabatic interaction on the photoelectron spectrum are demonstrated.

  18. 77 FR 68770 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Vermont

    Science.gov (United States)

    2012-11-16

    ...--State Underground Injection Control Programs; Part 272--Approved State Hazardous Waste Management... AGENCY Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Vermont AGENCY... State of Vermont's request to revise/modify certain of its EPA-authorized programs to allow...

  19. Intracavity frequency-doubled degenerate laser

    CERN Document Server

    Liew, Seng Fatt; Weiler, Sascha; Monjardin-Lopez, Jesus Fernando; Ramme, Mark; Redding, Brandon; Choma, Michael A; Cao, Hui

    2016-01-01

    We develop a green light source with low spatial coherence via intracavity frequency doubling of a solid-state degenerate laser. The second harmonic emission supports many more transverse modes than the fundamental emission, and exhibit lower spatial coherence. A strong suppression of speckle formation is demonstrated for both fundamental and second harmonic beams. Using the green emission for fluorescence excitation, we show the coherent artifacts are removed from the full-field fluorescence images. The high power, low spatial coherence and good directionality makes the green degenerate laser an attractive illumination source for parallel imaging and projection display.

  20. On Degenerate Partial Differential Equations

    OpenAIRE

    Chen, Gui-Qiang G.

    2010-01-01

    Some of recent developments, including recent results, ideas, techniques, and approaches, in the study of degenerate partial differential equations are surveyed and analyzed. Several examples of nonlinear degenerate, even mixed, partial differential equations, are presented, which arise naturally in some longstanding, fundamental problems in fluid mechanics and differential geometry. The solution to these fundamental problems greatly requires a deep understanding of nonlinear degenerate parti...

  1. Electron-impact excitation of the low-lying electronic states of HCN

    Science.gov (United States)

    Chutjian, A.; Tanaka, H.; Srivastava, S. K.; Wicke, B. G.

    1977-01-01

    The first study of the low-energy electron-impact excitation of low-lying electronic transitions in the HCN molecule is reported. Measurements were made at incident electron energies of 11.6 and 21.6 eV in the energy-loss range of 3-10 eV, and at scattering angles of 20-130 deg. Inelastic scattering spectra were placed on the absolute cross-section scale by determining first the ratio of inelastic-to-elastic scattering cross sections, and then separately measuring the absolute elastic scattering cross section. Several new electronic transitions are observed which are intrinsically overlapped in the molecule itself. Assignments of these electronic transitions are suggested. These assignments are based on present spectroscopic and cross-sections measurements, high-energy electron scattering spectra, optical absorption spectra, and ab initio molecular orbital calculations.

  2. Resonances in the continuum, field induced nonstationary states, and the state and property specific treatment of the many electron problem

    CERN Document Server

    Nicolaides, Cleanthes A

    2016-01-01

    The paper summarizes elements of theories and computational methods that we have constructed and applied over the years for the nonperturbative solution of many electron problems, in the absence or presence of strong external fields, concerning resonance and nonstationary states with a variety of electronic structures.

  3. Nature of Electronically Excited States of Organic Compounds and Processes of Nonradiative Conversion

    Science.gov (United States)

    Mayer, G. V.; Plotnikov, V. G.; Artyukhov, V. Ya.

    2016-08-01

    Models of quantum-chemical calculation of rate constants for internal processes and intersystem crossing in polyatomic molecules are considered. The influence of the nature of electronically excited states in organic compounds is investigated. It is shown that the explicit allowance for the nature of wave functions of electronic states for estimation of electronic matrix elements of nonadiabaticity operators and spin-orbit interaction allows photophysical processes in organic compounds to be considered in detail.

  4. Reduced Heat Flux Through Preferential Surface Reactions Leading to Vibrationally and Electronically Excited Product States

    Science.gov (United States)

    2016-03-04

    AFRL-AFOSR-VA-TR-2016-0124 Reduced Heat Flux Through Preferential Surface Reactions Leading to Vibrationally and Electronically Excited Product...Reactions Leading to Vibrationally and Electronically Excited Product States 5a. CONTRACT NUMBER FA9550-12-1-0486 5b. GRANT NUMBER 5c. PROGRAM... Leading to Vibrationally and Electronically Excited Product States FINAL TECHNICAL REPORT: Grant #FA9550-12-1-0486 2013 Basic Research Initiative (BRI

  5. Co-Assignment of the Molecular Vibrational Frequencies in Different Electronic States

    Science.gov (United States)

    Panchenko, Yurii; Abramenkov, Alexander

    2016-06-01

    Ultrafast electron diffraction experimental data for the structural parameters of molecules in excited electronic states are comparatively uncommon, hence these parameters are largely unknown. However, because differences between the molecular geometries of excited and ground electronic states cause differences in their experimental vibrational spectra it is important to establish a correspondence between the molecular vibrational frequencies in the ground state and those of the excited state of interest. The correct co-assignment of the experimental vibrational frequencies between two different electronic states of a molecule may be determined by the analog of the Duschinsky matrix D. This matrix D is defined as D = (LI)-1LII where LI and LII are the matrices of the vibrational modes of the two states of the molecule under investigation. They are obtained by solving the vibrational problems in the I and II electronic states, respectively. Choosing the dominant elements in columns of the D matrix and permuting these columns to arrange these elements along the diagonal of the transformed matrix Dast makes it possible to establish the correct co-assignment of the calculated frequencies in the two electronic states. The rows of Dast are for the vibrations in the I electronic state, whereas the columns are for vibrations in the II electronic state. The results obtained may be tested by analogous calculations of Dast for isotopologues. The feasibility of co-assignments of the vibrational frequencies in the ground and T_1 and S_1 excited electronic states are demonstrated for trans-C_2O_2F_2. The analogs of the Duschinsky matrix Dast were used to juxtapose the vibrational frequencies of this molecule calculated at the CASPT2/cc-pVTZ level in the S_0, T_1 and S_1 states. F. Duschinsky, Acta Physicochim. URSS, 7(4), 551-566 (1937). Yu. N. Panchenko, Vibrational spectroscopy, 68, 236-240 (2013).

  6. Electronic states and nature of bonding of the molecule PdGe by all electron ab initio HF–CI calculations and mass spectrometric equilibrium experiments

    DEFF Research Database (Denmark)

    Shim, Irene; Kingcade, Joseph E. , Jr.; Gingerich, Karl A.

    1986-01-01

    In the present work we present all-electron ab initio Hartree–Fock (HF) and configuration interaction (CI) calculations of six electronic states of the PdGe molecule. The molecule is predicted to have a 3Pi ground state and two low-lying excited states 3Sigma− and 1Sigma+. The electronic structure...

  7. The electronic excited states of green fluorescent protein chromophore models

    Science.gov (United States)

    Olsen, Seth Carlton

    We explore the properties of quantum chemical approximations to the excited states of model chromophores of the green fluorescent protein of A. victoria. We calculate several low-lying states by several methods of quantum chemical calculation, including state-averaged complete active space SCF (CASSCF) methods, time dependent density functional theory (TDDFT), equation-of motion coupled cluster (EOM-CCSD) and multireference perturbation theory (MRPT). Amongst the low-lying states we identify the optically bright pipi* state of the molecules and examine its properties. We demonstrate that the state is dominated by a single configuration function. We calculate zero-time approximations to the resonance Raman spectrum of GFP chromophore models, and assign published spectra based upon these.

  8. Relaxation between electrons and surface phonons of a homogeneously photoexcited metal film

    Indian Academy of Sciences (India)

    Navinder Singh

    2004-11-01

    The energy relaxation between the hot degenerate electrons of a homogeneously photoexcited metal film and the surface phonons (phonon wave vectors in two dimensions) is considered under Debye approximation. The state of electrons and phonons is described by equilibrium Fermi and Bose functions with different temperatures. Two cases for electron scattering by the metal surface, namely specular and diffuse scattering, are considered.

  9. Enhanced electron attachment to Rydberg states in molecular hydrogen volume discharges

    Science.gov (United States)

    Pinnaduwage, L. A.; Ding, W. X.; McCorkle, D. L.; Lin, S. H.; Mebel, A. M.; Garscadden, A.

    1999-05-01

    We review recent studies on negative ion formation and studies in other areas that are relevant to the role of high-Rydberg states of H2 and H3 in hydrogen negative ion sources. Possible mechanisms for the formation of these excited states are discussed, including the formation of long-lived superexcited (core-excited) Rydberg states. Experimental evidence for negative ion formation via electron attachment to core-excited Rydberg states in a glow discharge apparatus is presented. An expression for the dissociative electron attachment rate constant for Rydberg molecules is derived based on electron capture by a Rydberg molecule due to polarization interaction.

  10. Present State of Electron Backscatter Diffraction and Prospective Developments

    Energy Technology Data Exchange (ETDEWEB)

    Schwarzer, R A; Field, D P; Adams, B L; Kumar, M; Schwartz, A J

    2008-10-24

    Electron backscatter diffraction (EBSD), when employed as an additional characterization technique to a scanning electron microscope (SEM), enables individual grain orientations, local texture, point-to-point orientation correlations, and phase identification and distributions to be determined routinely on the surfaces of bulk polycrystals. The application has experienced rapid acceptance in metallurgical, materials, and geophysical laboratories within the past decade (Schwartz et al. 2000) due to the wide availability of SEMs, the ease of sample preparation from the bulk, the high speed of data acquisition, and the access to complementary information about the microstructure on a submicron scale. From the same specimen area, surface structure and morphology of the microstructure are characterized in great detail by the relief and orientation contrast in secondary and backscatter electron images, element distributions are accessed by energy dispersive spectroscopy (EDS), wavelength dispersive spectroscopy (WDS), or cathodoluminescence analysis, and the orientations of single grains and phases can now be determined, as a complement, by EBSD.

  11. Management of neovascular age-related macular degeneration: current state-of-the-art care for optimizing visual outcomes and therapies in development.

    Science.gov (United States)

    Agarwal, Aniruddha; Rhoades, William R; Hanout, Mostafa; Soliman, Mohamed Kamel; Sarwar, Salman; Sadiq, Mohammad Ali; Sepah, Yasir Jamal; Do, Diana V; Nguyen, Quan Dong

    2015-01-01

    Contemporary management of neovascular age-related macular degeneration (AMD) has evolved significantly over the last few years. The goal of treatment is shifting from merely salvaging vision to maintaining a high quality of life. There have been significant breakthroughs in the identification of viable drug targets and gene therapies. Imaging tools with near-histological precision have enhanced our knowledge about pathophysiological mechanisms that play a role in vision loss due to AMD. Visual, social, and vocational rehabilitation are all important treatment goals. In this review, evidence from landmark clinical trials is summarized to elucidate the optimum modern-day management of neovascular AMD. Therapeutic strategies currently under development, such as gene therapy and personalized medicine, are also described.

  12. State of the art of electronic personal dosimeters for neutrons

    Science.gov (United States)

    d'Errico, Francesco; Luszik-Bhadra, Marlies; Lahaye, Thierry

    2003-06-01

    Despite a widely recognised need, electronic devices for personal dosimetry of neutrons or mixed neutron-photon fields are still far less established than systems for photon or beta radiations. A large research project is in progress to evaluate different methods currently used or under development for electronic personal dosimetry in mixed neutron-photon fields. The study includes testing in calibration fields as well as in representative workplaces of the nuclear industry. This paper describes the commercial and laboratory systems under investigation and their response characteristics. These were determined so far with measurements using ISO standard monoenergetic beams up to 19 MeV at the PTB in Braunschweig, Germany.

  13. Electronic states of emodin and its conjugate base

    DEFF Research Database (Denmark)

    Nguyen, Son Chi; Hansen, Bjarke Knud Vilster; Hoffmann, Søren Vrønning;

    2008-01-01

    The electronic transitions of emodin (1,3,8-trihydroxy-6-methyl-9,10-anthraquinone, E) and its conjugate base (3-oxido-6-methyl-1,8-dihydroxy-9,10-anthraquinone, Ecb) were investigated by UV-Vis linear dichroism (LD) spectroscopy on molecular samples aligned in stretched poly(vinylalcohol). The e......The electronic transitions of emodin (1,3,8-trihydroxy-6-methyl-9,10-anthraquinone, E) and its conjugate base (3-oxido-6-methyl-1,8-dihydroxy-9,10-anthraquinone, Ecb) were investigated by UV-Vis linear dichroism (LD) spectroscopy on molecular samples aligned in stretched poly...

  14. Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds.

    Science.gov (United States)

    Feixas, Ferran; Vandenbussche, Jelle; Bultinck, Patrick; Matito, Eduard; Solà, Miquel

    2011-12-14

    Aromaticity is a property usually linked to the ground state of stable molecules. Although it is well-known that certain excited states are unquestionably aromatic, the aromaticity of excited states remains rather unexplored. To move one step forward in the comprehension of aromaticity in excited states, in this work we analyze the electron delocalization and aromaticity of a series of low-lying excited states of cyclobutadiene, benzene, and cyclooctatetraene with different multiplicities at the CASSCF level by means of electron delocalization measures. While our results are in agreement with Baird's rule for the aromaticity of the lowest-lying triplet excited state in annulenes having 4nπ-electrons, they do not support Soncini and Fowler's generalization of Baird's rule pointing out that the lowest-lying quintet state of benzene and septet state of cyclooctatetraene are not aromatic.

  15. Laenderyggens degeneration og radiologi

    DEFF Research Database (Denmark)

    Jacobsen, Steffen; Gosvig, Kasper Kjaerulf; Sonne-Holm, Stig

    2006-01-01

    Low back pain (LBP) is one of the most common conditions, and at the same time one of the most complex nosological entities. The lifetime prevalence is approximately 80%, and radiological features of lumbar degeneration are almost universal in adults. The individual risk factors for LBP and signi......Low back pain (LBP) is one of the most common conditions, and at the same time one of the most complex nosological entities. The lifetime prevalence is approximately 80%, and radiological features of lumbar degeneration are almost universal in adults. The individual risk factors for LBP...... and significant relationships between radiological findings and subjective symptoms have both been notoriously difficult to identify. The lack of consensus on clinical criteria and radiological definitions has hampered the undertaking of properly executed epidemiological studies. The natural history of LBP...

  16. Quantum degenerate systems

    Energy Technology Data Exchange (ETDEWEB)

    Micheli, Fiorenza de [Centro de Estudios Cientificos, Arturo Prat 514, Valdivia (Chile); Instituto de Fisica, Pontificia Universidad Catolica de Valparaiso, Casilla 4059, Valparaiso (Chile); Zanelli, Jorge [Centro de Estudios Cientificos, Arturo Prat 514, Valdivia (Chile); Universidad Andres Bello, Av. Republica 440, Santiago (Chile)

    2012-10-15

    A degenerate dynamical system is characterized by a symplectic structure whose rank is not constant throughout phase space. Its phase space is divided into causally disconnected, nonoverlapping regions in each of which the rank of the symplectic matrix is constant, and there are no classical orbits connecting two different regions. Here the question of whether this classical disconnectedness survives quantization is addressed. Our conclusion is that in irreducible degenerate systems-in which the degeneracy cannot be eliminated by redefining variables in the action-the disconnectedness is maintained in the quantum theory: there is no quantum tunnelling across degeneracy surfaces. This shows that the degeneracy surfaces are boundaries separating distinct physical systems, not only classically, but in the quantum realm as well. The relevance of this feature for gravitation and Chern-Simons theories in higher dimensions cannot be overstated.

  17. Cataracts and macular degeneration.

    Science.gov (United States)

    Shoch, D

    1979-09-01

    The intraocular lens restores general vision and some degree of independence and mobility to patients with dense cataracts and macular degeneration. The patient, however, must be repeatedly warned that fine central vision, particularly reading, will not be possible after the surgery. An aphakic spectacle leaves such patients a narrow band of vision when superimposed over the macular lesion, and contact lenses are too small for the patient to manage insertion without help.

  18. Understanding the nuclear initial state with an electron ion collider

    Science.gov (United States)

    Toll, Tobias

    2013-09-01

    In these proceedings I describe how a future electron-ion collider will allow us to directly measure the initial spatial distribution of gluons in heavy ions, as well as its variance ("lumpiness") in exclusive diffraction. I show the feasibility of such a measurement by means of simulated data from the novel event generator Sartre.

  19. Electronic states of 1,4-bis(phenylethynyl)benzene

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Jones, Nykola; Hoffmann, Søren Vrønning

    2012-01-01

    The electronic transitions of 1,4-bis(phenylethynyl)benzene (BPEB) were investigated by UV synchrotron radiation linear dichroism (SRLD) spectroscopy in the range 25,000 – 58,000 cm–1 (400 – 170 nm) on molecular samples aligned in stretched polyethylene. The investigation was supported by variable...

  20. Bound State Effect on the Electron g-2

    CERN Document Server

    Mishima, Go

    2013-01-01

    We evaluate a non-perturbative QED contribution to the electron g-2 which comes from virtual positronium. We find it to be 9.0*10^{-14}. This value is comparable to the five-loop contribution of usual perturbative calculation, and several times larger than the electroweak correction.

  1. The physics of instabilities in solid state electron devices

    CERN Document Server

    Mitin, Vladimir; Schöll, Eckehard; Grubin, Harold

    1992-01-01

    This text presents a theoretical examination of devices which can be rendered unstable against circuit oscillations, large amplitude switching events, and internal rearrangement of the electronic field or current density distribution The focus is on both analytical and numerical approaches to specific device problems

  2. Exact many-electron ground states on diamond and triangle Hubbard chains

    OpenAIRE

    2008-01-01

    We construct exact ground states of interacting electrons on triangle and diamond Hubbard chains. The construction requires (i) a rewriting of the Hamiltonian into positive semidefinite form, (ii) the construction of a many-electron ground state of this Hamiltonian, and (iii) the proof of the uniqueness of the ground state. This approach works in any dimension, requires no integrability of the model, and only demands sufficiently many microscopic parameters in the Hamiltonian which have to fu...

  3. On accurate computations of bound state properties in three- and four-electron atomic systems

    CERN Document Server

    Frolov, Alexei M

    2016-01-01

    Results of accurate computations of bound states in three- and four-electron atomic systems are discussed. Bound state properties of the four-electron lithium ion Li$^{-}$ in its ground $2^{2}S-$state are determined from the results of accurate, variational computations. We also consider a closely related problem of accurate numerical evaluation of the half-life of the beryllium-7 isotope. This problem is of paramount importance for modern radiochemistry.

  4. Studies of the doubly degenerate product Jahn-Teller system

    Institute of Scientific and Technical Information of China (English)

    QIU Qing-chun

    2007-01-01

    The static product Jahn-Teller (JT) system with two doubly-degenerate electronic open shells coupling to a single e-mode is further studied in the electronic space using the isostationary function method and the energy minimization procedure. These effects are vividly described by the coupling of two electronic vectors that belong to two different E-spaces. The energy levels in the trough positions are also investigated and it is found that the two doubly degenerate electronic levels are generally lifted by the product JT coupling.

  5. The ground and excited state electron affinities of cytosine and trans-azobenzene

    Science.gov (United States)

    Chen, Edward C. M.; Herder, Charles; Chen, Edward S.

    2007-06-01

    The electron capture detector, reduction potential, electron transfer and photon methods of determining electron affinities are compared. The adiabatic electron affinities are (in eV): t-azobenzene(O 2), 1.578(5); t-azobenzene, 1.378(5); cytosine, 1.043(5) from anion photoelectron spectra. The largest or ground state value for trans-azobenzene and an excited state electron affinity for cytosine, 0.70 eV are also determined by reduction potentials. Other excited state energies are (in eV): t-azobenzene, 0.328(5), 0.589(5), 0.690(5), 0.768(5), 0.954(5), 1.038(5), 1.150(5), 1.275(5) and cytosine, 0.089(5), 0.098(5), 0.198(5), 0.235(5). The cytosine values are consistent with electron transport and radiation damage and repair in DNA.

  6. The evaluation of temporal electronic structures of nonresonant Raman excited virtual state of thiourea

    Institute of Scientific and Technical Information of China (English)

    Fang Chao; Sun Li-Feng

    2011-01-01

    An algorithm has been introduced to calculate molecular bond polarizabilities of thiourea, which supply essential electronic information about the nonresonant Raman excited virtual states.The main dynamical behaviour of the excited virtual states of thiourea is that the Raman excited electrons tend to flow to the N-H bonds and C-N bonds from the S-C bonds because of the electronic repulsion effect. The difference in Raman excited electron relaxation time of thiourea under 514.5-nm and 325-nm excitations has been observed, which quantitatively shows that the Raman scattering process is dependent on the wavelength of the pumping laser. Finally, the distribution of the electrons at the final stage of relaxation is given out through the comparison between the bond electronic densities of the ground states and the bond polarizabilities after deexcitation.

  7. Determination and Comparison of Carbonyl Stretching Frequency of a Ketone in Its Ground State and the First Electronic Excited State

    Science.gov (United States)

    Bandyopadhyay, Subhajit; Roy, Saswata

    2014-01-01

    This paper describes an inexpensive experiment to determine the carbonyl stretching frequency of an organic keto compound in its ground state and first electronic excited state. The experiment is simple to execute, clarifies some of the fundamental concepts of spectroscopy, and is appropriate for a basic spectroscopy laboratory course. The…

  8. Determination and Comparison of Carbonyl Stretching Frequency of a Ketone in Its Ground State and the First Electronic Excited State

    Science.gov (United States)

    Bandyopadhyay, Subhajit; Roy, Saswata

    2014-01-01

    This paper describes an inexpensive experiment to determine the carbonyl stretching frequency of an organic keto compound in its ground state and first electronic excited state. The experiment is simple to execute, clarifies some of the fundamental concepts of spectroscopy, and is appropriate for a basic spectroscopy laboratory course. The…

  9. The Low-Lying Electronic States of YCu

    Science.gov (United States)

    Ricca, Alessandra; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    The spectroscopic constants for the singlet and triplet states of YCu below about 15 000 per centimeter are determined using an internally contracted multireference configuration-interaction approach. These calculations are calibrated by studies of fewer states using higher levels of correlation treatment and/or larger basis sets. The computed T(sub e) values and radiative lifetimes are in reasonable agreement with experiment. The calculations confirm the previous experimental assignment for all but one state, where theory helps resolve between two possible assignments.

  10. All Electron ab initio Investigations of the Electronic States of the MoN Molecule

    DEFF Research Database (Denmark)

    Shim, Irene; Gingerich, Karl A.

    1999-01-01

    . The dipole moment has been determined as 2.11 D in the 4 state and as 4.60 D in the 4 state. The latter value is in excellent agreement with the experimental value determined from molecular Stark spectroscopic measurements. The dipole moment for the 4 state determined in the present work is 1.27 D less than...

  11. Excited electronic states and spectroscopy of unsymmetrically substituted polyenes

    Science.gov (United States)

    Itoh, Takao

    2013-09-01

    α-Methyl-ω-phenylpolyenes, Me-(CH=CH)N-Ph, (MPPNs) with N = 2, 3, and 4 were synthesized. Fluorescence, absorption, and excitation spectra of MPPNs have been measured under different conditions along with those of β-methylstyrene. It is shown that there is a forbidden singlet (π, π*) excited state located at energies below the absorbing state for MPPNs with N = 3 and 4. Excitation energies of these polyenes are determined as a function of N. Quantitative analysis of the temperature dependence of the relative intensity of the fluorescence spectrum and its solvent shift behavior extract estimates of the various physical parameters that characterize excitation energies and excited-state dynamical behavior of MPPN with N = 3. The singlet excited states of the MPPNs were compared with those of the α,ω-diphenylpolyenes and α,ω-dimethylpolyenes.

  12. A multi-state fragment charge difference approach for diabatic states in electron transfer: Extension and automation

    Science.gov (United States)

    Yang, Chou-Hsun; Hsu, Chao-Ping

    2013-10-01

    The electron transfer (ET) rate prediction requires the electronic coupling values. The Generalized Mulliken-Hush (GMH) and Fragment Charge Difference (FCD) schemes have been useful approaches to calculate ET coupling from an excited state calculation. In their typical form, both methods use two eigenstates in forming the target charge-localized diabatic states. For problems involve three or four states, a direct generalization is possible, but it is necessary to pick and assign the locally excited or charge-transfer states involved. In this work, we generalize the 3-state scheme for a multi-state FCD without the need of manual pick or assignment for the states. In this scheme, the diabatic states are obtained separately in the charge-transfer or neutral excited subspaces, defined by their eigenvalues in the fragment charge-difference matrix. In each subspace, the Hamiltonians are diagonalized, and there exist off-diagonal Hamiltonian matrix elements between different subspaces, particularly the charge-transfer and neutral excited diabatic states. The ET coupling values are obtained as the corresponding off-diagonal Hamiltonian matrix elements. A similar multi-state GMH scheme can also be developed. We test the new multi-state schemes for the performance in systems that have been studied using more than two states with FCD or GMH. We found that the multi-state approach yields much better charge-localized states in these systems. We further test for the dependence on the number of state included in the calculation of ET couplings. The final coupling values are converged when the number of state included is increased. In one system where experimental value is available, the multi-state FCD coupling value agrees better with the previous experimental result. We found that the multi-state GMH and FCD are useful when the original two-state approach fails.

  13. A multi-state fragment charge difference approach for diabatic states in electron transfer: extension and automation.

    Science.gov (United States)

    Yang, Chou-Hsun; Hsu, Chao-Ping

    2013-10-21

    The electron transfer (ET) rate prediction requires the electronic coupling values. The Generalized Mulliken-Hush (GMH) and Fragment Charge Difference (FCD) schemes have been useful approaches to calculate ET coupling from an excited state calculation. In their typical form, both methods use two eigenstates in forming the target charge-localized diabatic states. For problems involve three or four states, a direct generalization is possible, but it is necessary to pick and assign the locally excited or charge-transfer states involved. In this work, we generalize the 3-state scheme for a multi-state FCD without the need of manual pick or assignment for the states. In this scheme, the diabatic states are obtained separately in the charge-transfer or neutral excited subspaces, defined by their eigenvalues in the fragment charge-difference matrix. In each subspace, the Hamiltonians are diagonalized, and there exist off-diagonal Hamiltonian matrix elements between different subspaces, particularly the charge-transfer and neutral excited diabatic states. The ET coupling values are obtained as the corresponding off-diagonal Hamiltonian matrix elements. A similar multi-state GMH scheme can also be developed. We test the new multi-state schemes for the performance in systems that have been studied using more than two states with FCD or GMH. We found that the multi-state approach yields much better charge-localized states in these systems. We further test for the dependence on the number of state included in the calculation of ET couplings. The final coupling values are converged when the number of state included is increased. In one system where experimental value is available, the multi-state FCD coupling value agrees better with the previous experimental result. We found that the multi-state GMH and FCD are useful when the original two-state approach fails.

  14. Bound Electron States in Skew-symmetric Quantum Wire Intersections

    Science.gov (United States)

    2014-01-01

    dots is that they lie far beneath the surface of the surround- ing material whose associated states are potentially meddlesome. Colloidal chemistry ... textbooks have posed problems dealing with these states, but the approaches used in these problems involved variational methods or limiting cases, which are...of the Introductory Quantum Mechanics textbook by D.J.Griffith (Pearson, 2005). My trial function that has been developed in this the- sis, has an

  15. Quantum ballistic transport by interacting two-electron states in quasi-one-dimensional channels

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Danhong [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117 (United States); Center for High Technology Materials, University of New Mexico, 1313 Goddard St SE, Albuquerque, New Mexico 87106 (United States); Gumbs, Godfrey [Center for High Technology Materials, University of New Mexico, 1313 Goddard St SE, Albuquerque, New Mexico 87106 (United States); Abranyos, Yonatan [Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States); Pepper, Michael; Kumar, Sanjeev [Department of Electronic and Electrical Engineering, University College London, London, WC1E 7JE (United Kingdom); London Centre for Nanotechnology, 17-19 Gordon Street, London, WC1H 0AH (United Kingdom)

    2015-11-15

    For quantum ballistic transport of electrons through a short conduction channel, the role of Coulomb interaction may significantly modify the energy levels of two-electron states at low temperatures as the channel becomes wide. In this regime, the Coulomb effect on the two-electron states is calculated and found to lead to four split energy levels, including two anticrossing-level and two crossing-level states. Moreover, due to the interplay of anticrossing and crossing effects, our calculations reveal that the ground two-electron state will switch from one anticrossing state (strong confinement) to a crossing state (intermediate confinement) as the channel width gradually increases and then back to the original anticrossing state (weak confinement) as the channel width becomes larger than a threshold value. This switching behavior leaves a footprint in the ballistic conductance as well as in the diffusion thermoelectric power of electrons. Such a switching is related to the triple spin degeneracy as well as to the Coulomb repulsion in the central region of the channel, which separates two electrons away and pushes them to different channel edges. The conductance reoccurrence region expands from the weak to the intermediate confinement regime with increasing electron density.

  16. Characterization of the electronic states of the biological relevant SSNO molecule

    Science.gov (United States)

    Ayari, Tarek; Hochlaf, Majdi; Mogren Al-Mogren, Muneerah; Francisco, Joseph S.

    2017-02-01

    Using configuration interaction ab initio methods, we investigate the lowest electronic states of doublet and quartet spin multiplicities of SSNO where the one-dimensional cuts of the six-dimensional potential energy surfaces of these electronic states along the stretching and bending coordinates are computed. Mainly, these electronic states are found to be repulsive along the central SN distance. A high density of electronic states is computed even at low excitation energies that may favor their couplings. Therefore, the dynamics of the SSNO electronic states is expected to be very complex. We also characterized the bound electronic states spectroscopically where we derived their equilibrium structures and vibrational frequencies. Our calculations show the importance of taking into account of dynamical correlation, in addition to static correlation, for the accurate description of SSNO electronic excited states and more generally for those of R-NO molecular species. Finally, we highlighted the potential role of SSNO in light-induced NO delivery from SSNO related species in biological media.

  17. Photo-Stimulated Electron Detrapping and the Two-State Model for Electron Transport in Nonpolar Liquids

    CERN Document Server

    Shkrob, I A

    2004-01-01

    In common nonpolar liquids, such as saturated hydrocarbons, a dynamic equilibrium between trapped (localized) and quasifree (extended) states has been postulated for the excess electron (the two-state model). Using time-resolved dc conductivity, the effect of 1064 nm laser photoexcitation of trapped electrons on the charge transport has been observed in liquid n-hexane and methylcyclohexane. The light promotes the electron from the trap into the conduction band of the liquid, instantaneously increasing the conductivity by orders of magnitude. From the analysis of the two-pulse, two-color photoconductivity data, the residence time of the electrons in traps has been estimated as ca. 8.4 ps for n-hexane and ca. 13 ps for methylcyclohexane (at 295 K). The rate of detrapping decreases at lower temperature with an activation energy of ca. 200 meV (280-320 K); the lifetime-mobility product for quasifree electrons scales linearly with the temperature. We suggest that the properties of trapped electrons in hydrocarbon...

  18. Zero-differential resistance state of two-dimensional electron systems in strong magnetic fields.

    Science.gov (United States)

    Bykov, A A; Zhang, Jing-qiao; Vitkalov, Sergey; Kalagin, A K; Bakarov, A K

    2007-09-14

    We report the observation of a zero-differential resistance state (ZDRS) in response to a direct current above a threshold value I>I th applied to a two-dimensional system of electrons at low temperatures in a strong magnetic field. Entry into the ZDRS, which is not observable above several Kelvins, is accompanied by a sharp dip in the differential resistance. Additional analysis reveals an instability of the electrons for I>I th and an inhomogeneous, nonstationary pattern of the electric current. We suggest that the dominant mechanism leading to the new electron state is a redistribution of electrons in energy space induced by the direct current.

  19. Quasi-One-Dimensional Electronic States Inside and Outside Helium-Plated Carbon Nanotubes

    Science.gov (United States)

    Motta, M.; Galli, D. E.; Liebrecht, M.; Del Maestro, A.; Cole, M. W.

    2016-10-01

    About one-half a century ago, it was realized that electrons experience a repulsive barrier when approaching the surface of condensed phases of helium, hydrogen, and neon. This led to the proposal and subsequent observation of image-potential surface-bound electronic states, which exhibit intriguing quasi-two-dimensional behavior. In the present work, we report similar quasi-one-dimensional electronic states by exploring single-wall carbon nanotubes coated both inside and outside by thin helium films. Electrons near such structures are localized in the radial direction, but free to move along the nanotube axis. The many-body aspects of the system are discussed qualitatively.

  20. Ground State Transitions of Four-Electron Quantum Dots in Zero Magnetic Field

    Institute of Scientific and Technical Information of China (English)

    KANG Shuai; XIE Wen-Fang; LIU Yi-Ming; SHI Ting-Yun

    2008-01-01

    In this paper, we study four electrons confined in a parabolic quantum dot in the absence of magnetic field, by the exact diagonalization method. The ground-state electronic structures and orbital and spin angular momenta transitions as a function of the confined strength are investigated. We find that the confinement may cause accidental degeneracies between levels with different low-lying states and the inversion of the energy values. The present results are useful to understand the optical properties and internal electron-electron correlations of quantum dot materials.

  1. Dichromatic Langmuir waves in degenerate quantum plasma

    Science.gov (United States)

    Dubinov, A. E.; Kitayev, I. N.

    2015-06-01

    Langmuir waves in fully degenerate quantum plasma are considered. It is shown that, in the linear approximation, Langmuir waves are always dichromatic. The low-frequency component of the waves corresponds to classical Langmuir waves, while the high-frequency component, to free-electron quantum oscillations. The nonlinear problem on the profile of dichromatic Langmuir waves is solved. Solutions in the form of a superposition of waves and in the form of beatings of its components are obtained.

  2. 77 FR 25474 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Florida

    Science.gov (United States)

    2012-04-30

    ... Programs; and Part 272--Approved State Hazardous Waste Management Programs. FDEP was notified of EPA's... AGENCY Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Florida AGENCY... State of Florida's request ] to revise/modify certain of its EPA-authorized programs to allow...

  3. Stark and Zeeman effects on the lower electronic states of s-triazine

    NARCIS (Netherlands)

    Aartsma, Thijs J.; Wiersma, Douwe A.

    1973-01-01

    A detailed optical study of the lower electronic states of s-triazine in a pure crystal at 1.8 degrees K is presented. Stark and Zeeman experiments on these States give no Support to previous assignments. The experiments indicate that the lowest triplet state observed In s-triazine corresponds to ei

  4. Ground State Transitions in Vertically Coupled Four-Layer Single Electron Quantum Dots

    Institute of Scientific and Technical Information of China (English)

    WANGAn-Mei; XIEWen-Fang

    2005-01-01

    We study a four-electron system in a vertically coupled four-layer quantum dot under a magnetic field by the exact diagonalization of the Hamiltonian matr/x. We find that discontinuous ground-state energy transitions are induced by an external magnetic field. We find that dot-dot distance and electron-electron interaction strongly affect the low-lying states of the coupled quantum dots. The inter-dot correlation leads to some sequences of possible disappearances of ground state transitions, which are present for uncoupled dots.

  5. Ground State Transitions in Vertically Coupled Four-Layer Single Electron Quantum Dots

    Institute of Scientific and Technical Information of China (English)

    WANG An-Mei; XIE Wen-Fang

    2005-01-01

    We study a four-electron system in a vertically coupled four-layer quantum dot under a magnetic field by the exact diagonalization of the Hamiltonian matrix. We find that discontinuous ground-state energy transitions are induced by an external magnetic field. We find that dot-dot distance and electron-electron interaction strongly affect the low-lying states of the coupled quantum dots. The inter-dot correlation leads to some sequences of possible disappearances of ground state transitions, which are present for uncoupled dots.

  6. Theoretical and Experimental Exploration of the Structures and Electronic States of Single Molecules

    Institute of Scientific and Technical Information of China (English)

    HOU Jianguo; YANG Jinlong; WANG Haiqian; WANG Bing; ZHU Qingshi

    2007-01-01

    @@ The scanning tunnel microscopy/spectroscopy(STM/STS) is a powerful technique in probing the surface structures and the electronic states on a single molecular scale. Although a scanning tunneling microscope has a high spatial resolution in a topographic image, the image just reflects the spatial distribution of the electronic states, instead of the geometric structure of single molecules. Moreover, some additional factors,like the influence of the substrate and the STM tip, may also affect an STM image. So, it is still a challenge to determine the molecular conformation, molecular orientation, and intramolecular structure and electronic states on a single molecular scale.

  7. Regularized degenerate multi-solitons

    Science.gov (United States)

    Correa, Francisco; Fring, Andreas

    2016-09-01

    We report complex {P}{T} -symmetric multi-soliton solutions to the Korteweg de-Vries equation that asymptotically contain one-soliton solutions, with each of them possessing the same amount of finite real energy. We demonstrate how these solutions originate from degenerate energy solutions of the Schrödinger equation. Technically this is achieved by the application of Darboux-Crum transformations involving Jordan states with suitable regularizing shifts. Alternatively they may be constructed from a limiting process within the context Hirota's direct method or on a nonlinear superposition obtained from multiple Bäcklund transformations. The proposed procedure is completely generic and also applicable to other types of nonlinear integrable systems.

  8. Determination of state-to-state electron-impact rate coefficients between Ar excited states: a review of combined diagnostic experiments in afterglow plasmas

    Science.gov (United States)

    Zhu, Xi-Ming; Cheng, Zhi-Wen; Carbone, Emile; Pu, Yi-Kang; Czarnetzki, Uwe

    2016-08-01

    Electron-impact excitation processes play an important role in low-temperature plasma physics. Cross section and rate coefficient data for electron-impact processes from the ground state to excited states or between two excited states are required for both diagnostics and modeling works. However, the collisional processes between excited states are much less investigated than the ones involving the ground state due to various experimental challenges. Recently, a method for determining electron excitation rate coefficients between Ar excited states in afterglow plasmas was successfully implemented and further developed to obtain large sets of collisional data. This method combines diagnostics for electron temperature, electron density, and excited species densities and kinetic modeling of excited species, from which the electron excitation rate coefficients from one of the 1s states to the other 1s states or to one of 2p or 3p states are determined (states are in Paschen’s notation). This paper reviews the above method—namely the combined diagnostics and modeling in afterglow plasmas. The results from other important approaches, including electron-beam measurement of cross sections, laser pump-probe technique for measuring rate coefficients, and theoretical calculations by R-matrix and distorted-wave models are also discussed. From a comparative study of these results, a fitted mathematical expression of excitation rate coefficients is obtained for the electron temperature range of 1-5 eV, which can be used for the collisional-radiative modeling of low-temperature Ar plasmas. At last, we report the limitations in the present dataset and give some suggestions for future work in this area.

  9. Time-dependent cylindrical and spherical ion-acoustic solitary structures in relativistic degenerate multi-ion plasmas with positively-charged heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Hossen, M. R.; Nahar, L.; Mamun, A. A. [Jahangirnagar University,Savar, Dhaka (Bangladesh)

    2014-12-15

    The properties of time-dependent cylindrical and spherical, modified ion-acoustic (mIA) solitary structures in relativistic degenerate multi-ion plasmas (containing degenerate electron fluids, inertial positively-, as well as negatively-, charged light ions, and positively-charged static heavy ions) have been investigated theoretically. This investigation is valid for both non-relativistic and ultrarelativistic limits. The well-known reductive perturbation method has been used to derive the Korteweg-de Vries (K-dV) and the mK-dV equations for studying the basic features of solitary waves. The fundamental characteristics of mIA solitary waves are found to be significantly modified by the effects of the degenerate pressures of the electron and the ion fluids, their number densities, and the various charge states of heavy ions. The relevance of our results in astrophysical compact objects like white dwarfs and neutron stars, which are of scientific interest, is briefly discussed.

  10. The low-lying electronic states of LiC

    Science.gov (United States)

    Ricca, Alessandra; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    The spectroscopic constants for the doublet and quartet states of LiC below about 30,000/cm are determined using an internally contracted multireference configuration-interaction approach in conjunction with a [6s 5p 3d 2f] atomic natural orbital basis sets. All of the strongly bound states, X(sup 4)(SIGMA)(sup -),(1)(sup 2)(DELTA), (1)(sup 2)(SIGMA)(sup +), and (2)(sup 2) II, very ionic in character. The only bound-bound quartet transition in this energy range is (2)(sup 4)SIGMA(sup -) and Franck-Condon factors, Einstein A values, and lifetimes are reported for this transition.

  11. ELECTRONIC PROFESSIONAL EDITIONS IN THE SYSTEM OF SCIENTIFIC PERIODICALS: STATE AND PROSPECTS

    Directory of Open Access Journals (Sweden)

    Nataliia M. Kropocheva

    2014-02-01

    Full Text Available The article highlights relevant current problems concerning the formation, present state and prospects of the development of the native electronic professional editions on pedagogy. The historical overview of the development of the electronic books in the world and in Ukraine in general, and also including the professional editions was made. It was conducted the analysis of national and international legal framework for existing electronic editions, as well as researched the structure and software of the native electronic professional editions on pedagogy. Based on the results, it was formulated the conclusions and developed some suggestions for the improvement of electronic editions.

  12. Electron-electron interaction in strong electromagnetic fields: the two-electron contribution to the ground-state energy in He-like uranium.

    Science.gov (United States)

    Gumberidze, A; Stöhlker, Th; Banaś, D; Beckert, K; Beller, P; Beyer, H F; Bosch, F; Cai, X; Hagmann, S; Kozhuharov, C; Liesen, D; Nolden, F; Ma, X; Mokler, P H; Orsić-Muthig, A; Steck, M; Sierpowski, D; Tashenov, S; Warczak, A; Zou, Y

    2004-05-21

    Radiative recombination transitions into the ground state of cooled bare and hydrogenlike uranium ions were measured at the storage ring ESR. By comparing the corresponding x-ray centroid energies, this technique allows for a direct measurement of the electron-electron contribution to the ionization potential in the heaviest He-like ions. For the two-electron contribution to the ionization potential of He-like uranium we obtain a value of 2248+/-9 eV. This represents the most accurate determination of two-electron effects in the domain of high-Z He-like ions, and the accuracy reaches already the size of the specific two-electron radiative QED corrections.

  13. Influences of quantum mechanically mixed electronic and vibrational pigment states in 2D electronic spectra of photosynthetic systems: Strong electronic coupling cases

    CERN Document Server

    Fujihashi, Yuta; Ishizaki, Akihito

    2015-01-01

    In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and it has been suggested that the beats are produced by quantum mechanically mixed electronic and vibrational states. Concerning the electronic-vibrational quantum mixtures, the impact of protein-induced fluctuations was examined by calculating the 2D electronic spectra of a weakly coupled dimer with vibrational modes in the resonant condition [J. Chem. Phys. 142, 212403 (2015)]. This analysis demonstrated that quantum mixtures of the vibronic resonance are rather robust under the influence of the fluctuations at cryogenic temperatures, whereas the mixtures are eradicated by the fluctuations at physiological temperatures. However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment coupling. In this study, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongl...

  14. All electron ab initio investigations of the electronic states of the FeC molecule

    DEFF Research Database (Denmark)

    Shim, Irene; Gingerich, Karl A.

    1999-01-01

    as re = 1.567 Å and e = 952 cm-1. The values for the ground state agree well with the available experimental data. The FeC molecule is polar with charge transfer from Fe to C. The dipole moment has been determined as 1.86 D in the 3 ground state and as 1.51 D in the 1 state. From the results of the MRCI...

  15. Double layers and double wells in arbitrary degenerate plasmas

    Science.gov (United States)

    Akbari-Moghanjoughi, M.

    2016-06-01

    Using the generalized hydrodynamic model, the possibility of variety of large amplitude nonlinear excitations is examined in electron-ion plasma with arbitrary electron degeneracy considering also the ion temperature effect. A new energy-density relation is proposed for plasmas with arbitrary electron degeneracy which reduces to the classical Boltzmann and quantum Thomas-Fermi counterparts in the extreme limits. The pseudopotential method is employed to find the criteria for existence of nonlinear structures such as solitons, periodic nonlinear structures, and double-layers for different cases of adiabatic and isothermal ion fluids for a whole range of normalized electron chemical potential, η0, ranging from dilute classical to completely degenerate electron fluids. It is observed that there is a Mach-speed gap in which no large amplitude localized or periodic nonlinear excitations can propagate in the plasma under consideration. It is further revealed that the plasma under investigation supports propagation of double-wells and double-layers the chemical potential and Mach number ranges of which are studied in terms of other plasma parameters. The Mach number criteria for nonlinear waves are shown to significantly differ for cases of classical with η0 0 regimes. It is also shown that the localized structure propagation criteria possess significant dissimilarities for plasmas with adiabatic and isothermal ions. Current research may be generalized to study the nonlinear structures in plasma containing positrons, multiple ions with different charge states, and charged dust grains.

  16. Characterizing the Locality of Diabatic States for Electronic Excitation Transfer by Decomposing the Diabatic Coupling

    Energy Technology Data Exchange (ETDEWEB)

    Vura-Weis, Josh; Newton, M. D.; Wasielewski, Michael R; Subotnik, J.E.

    2010-12-09

    A common strategy to calculate electronic coupling matrix elements for charge or energy transfer is to take the adiabatic states generated by electronic structure computations and rotate them to form localized diabatic states. In this paper, we show that, for intermolecular transfer of singlet electronic excitation, usually we cannot fully localize the electronic excitations in this way. Instead, we calculate putative initial and final states with small excitation tails caused by weak interactions with high energy excited states in the electronic manifold. These tails do not lead to substantial changes in the total diabatic coupling between states, but they do lead to a different partitioning of the total coupling between Coulomb (Förster), exchange (Dexter), and one-electron components. The tails may be reduced by using a multistate diabatic model or eliminated entirely by truncation (denoted as “chopping”). Without more information, we are unable to conclude with certainty whether the observed diabatic tails are a physical reality or a computational artifact. This research suggests that decomposition of the diabatic coupling between chromophores into Coulomb, exchange, and one-electron components may depend strongly on the number of states considered, and such results should be treated with caution.

  17. Management of neovascular age-related macular degeneration: current state-of-the-art care for optimizing visual outcomes and therapies in development

    Directory of Open Access Journals (Sweden)

    Agarwal A

    2015-06-01

    Full Text Available Aniruddha Agarwal, William R Rhoades, Mostafa Hanout, Mohamed Kamel Soliman, Salman Sarwar, Mohammad Ali Sadiq, Yasir Jamal Sepah, Diana V Do, Quan Dong Nguyen Stanley M Truhlsen Eye Institute, University of Nebraska Medical Center, Omaha, NE, USA Abstract: Contemporary management of neovascular age-related macular degeneration (AMD has evolved significantly over the last few years. The goal of treatment is shifting from merely salvaging vision to maintaining a high quality of life. There have been significant breakthroughs in the identification of viable drug targets and gene therapies. Imaging tools with near-histological precision have enhanced our knowledge about pathophysiological mechanisms that play a role in vision loss due to AMD. Visual, social, and vocational rehabilitation are all important treatment goals. In this review, evidence from landmark clinical trials is summarized to elucidate the optimum modern-day management of neovascular AMD. Therapeutic strategies currently under development, such as gene therapy and personalized medicine, are also described. Keywords: AMD, neovascular AMD, choroidal neovascular membrane, pharmacogenomics, VEGF, low-vision rehabilitation, gene therapy

  18. Ozone absorption spectroscopy in search of low-lying electronic states

    Science.gov (United States)

    Anderson, S. M.; Mauersberger, K.

    1995-01-01

    A spectrometer capable of detecting ozone absorption features 9 orders of magnitude weaker than the Hartley band has been employed to investigate the molecule's near-infrared absorption spectrum. At this sensitivity a wealth of information on the low-lying electronically excited states often believed to play a role in atmospheric chemistry is available in the form of vibrational and rotational structure. We have analyzed these spectra using a combination of digital filtering and isotope substitution and find evidence for three electronically excited states below 1.5 eV. The lowest of these states is metastable, bound by approximately 0.1 eV and probably the (3)A2 rather than the (3)B2 state. Its adiabatic electronic energy is 1.24 +/- 0.01 eV, slightly above the dissociation energy of the ground state. Two higher states, at 1.29 +/- 0.03 and 1.48 +/- 0.03 eV are identified as the (3)B2 and the (3)B1, respectively. Combined with other recent theoretical and experimental data on the low-lying electronic states of ozone, these results imply that these are, in fact, the lowest three excited states; that is, there are no electronically excited states of ozone lying below the energy of O(3P) + O2((3)Sigma(-), v = 0). Some of the implications for atmospheric chemistry are considered.

  19. The Low-Lying Electronic States of Mg2(+)

    Science.gov (United States)

    Ricca, Alessandra; Bauschlicher, Charles W., Jr.

    1994-01-01

    The low-lying doublet and quartet states of Mg+ have been studied using a multireference configuration interaction approach. The effect of inner-shell correlation has been included using the core-polarization potential method. The computed spectroscopic constants, lifetimes, and oscillator strengths should help resolve the difference between the recent experiments and previous theoretical calculations.

  20. Formation of Degenerate Band Gaps in Layered Systems

    Directory of Open Access Journals (Sweden)

    Alexey P. Vinogradov

    2012-06-01

    Full Text Available In the review, peculiarities of spectra of one-dimensional photonic crystals made of anisotropic and/or magnetooptic materials are considered. The attention is focused on band gaps of a special type—the so called degenerate band gaps which are degenerate with respect to polarization. Mechanisms of formation and properties of these band gaps are analyzed. Peculiarities of spectra of photonic crystals that arise due to the linkage between band gaps are discussed. Particularly, it is shown that formation of a frozen mode is caused by linkage between Brillouin and degenerate band gaps. Also, existence of the optical Borrmann effect at the boundaries of degenerate band gaps and optical Tamm states at the frequencies of degenerate band gaps are analyzed.

  1. Coupled state analysis of electron excitations in asymmetric collision systems

    Energy Technology Data Exchange (ETDEWEB)

    Mehler, G.; Reus, T. de; Mueller, U.; Reinhardt, J.; Mueller, B.; Greiner, W.; Soff, G.

    1985-11-01

    A coupled channel formalism is presented, using relativistic basis states of the target atom. Screening effects are incorporated by means of an effective potential of the Hartree-Fock-Slater type. Relativistic wave packets are employed for the description of the continuum. The impact parameter dependence of the K-hole production in p-Ag collisions is calculated, including quadrupole contributions of the projectile Coulomb potential. The results are compared with experimental data. (orig.).

  2. Quantum electron transfer processes induced by thermo-coherent state

    Indian Academy of Sciences (India)

    Sumana Banerjee; Gautam Gangopadhyay

    2007-09-01

    When the reactant surface is not in a thermal equilibrium, but in a thermo-coherent state we have derived the rate and discussed about the quantum features of the rate. In the limit of very low and very high temperature the expressions are derived analytically and compared with the case of thermal distribution. We have investigated the dependence of temperature on the rate due to displacement, distortion of the harmonic potential energy surfaces of the reactant and product manifold.

  3. Electronic spectrum of the high-temperature superconducting state

    Science.gov (United States)

    Hwu, Y.; Lozzi, L.; Marsi, M.; La Rosa, S.; Winokur, M.; Davis, P.; Onellion, M.; Berger, H.; Gozzo, F.; Levy, F.

    1991-10-01

    Improved experimental conditions permitted an increase in the signal-to-noise ratio of the photoemission spectra for the superconducting state of Bi2Ca2SrCu2O8, taken with high angular and energy resolution. This also revealed a pronounced minimum that separates the two basic features of the spectrum, the narrow quasi-particle excitation peak and the controversial broad band at lower kinetic energies. The minimum is approximately 3-Delta below the Fermi level.

  4. Reply to Comment on `Formation of bound states of electrons in spherically symmetric oscillations of plasma'

    CERN Document Server

    Dvornikov, Maxim

    2011-01-01

    I reply here to the comment of Dr Shmatov on my recent work and demonstrate the invalidity of his criticism of the classical physics description of the formation of bound states of electrons participating in spherically symmetric oscillations of plasma.

  5. Vacuum polarization screening corrections to the ground state energy of two-electron ions

    CERN Document Server

    Artemiev, A N; Yerokhin, V A

    1997-01-01

    Vacuum polarization screening corrections to the ground state energy of two-electron ions are calculated in the range $Z=20-100$. The calculations are carried out for a finite nucleus charge distribution.

  6. Flexible Electronics for Security, Manufacturing, and Growth in the United States: summary of a symposium

    National Research Council Canada - National Science Library

    Shivakumar, Sujai J

    2013-01-01

    "Flexible Electronics for Security, Manufacturing, and Growth in the United States is the summary of a workshop convened in September 2010 by Policy and Global Affairs' Board on Science, Technology...

  7. Spin-Orbit Coupling and Novel Electronic States at the Interfaces of Heavy Fermion Materials

    Science.gov (United States)

    2016-02-22

    spin-orbit coupling (SOC) may induce new electronic phases that are difficult to realize in bulk materials . With the support of this STIR grant, we have...Report: Spin-Orbit Coupling and Novel Electronic States at the Interfaces of Heavy Fermion Materials Report Title This report summarizes the progress...regime in the correlated- electron “global” phase diagram of heavy fermion materials and, in addition, paving the way for interactions between the

  8. Investigation of the hadronic final state in electron-proton interactions at HERA

    Energy Technology Data Exchange (ETDEWEB)

    Dake, A.

    1995-09-18

    The main subject of this thesis is the study of the hardronic final state in deep-inelastic electron-proton scattering. Theexperiment described in this thesis is performed with such a high resolution that the substructure of the proton is probed by the electron beam with a resolution of less than 10{sup -15} cm. (orig./HSI).

  9. STATE-SELECTIVE ELECTRON-CAPTURE IN HE2+ -H2 COLLISIONS

    NARCIS (Netherlands)

    MENG, L; OLSON, RE; FOLKERTS, HO; HOEKSTRA, R

    1994-01-01

    A classical phase-space model of the hydrogen molecule which includes both electrons and nuclear centers is utilized to study state selective electron capture for collisions with alpha particles at intermediate impact energies (30-200 keV amu-1). The calculations am performed within the framework of

  10. A simple model for atomic layer doped field-effect transistor (ALD-FET) electronic states

    Energy Technology Data Exchange (ETDEWEB)

    Mora R, M.E. [Centro de Investigaciones en Optica, Unidad Aguascalientes. Juan de Montoro 207, Zona Centro, 20000 Aguascalientes (Mexico); Gaggero S, L.M. [Escuela de Fisica, Universidad Autonoma de Zacatecas, Av. Preparatoria 301, 98060 Zacatecas (Mexico)

    1998-12-31

    We propose a simple potential model based on the Thomas-Fermi approximation to reproduce the main properties of the electronic structure of an atomic layer doped field effect transistor. Preliminary numerical results for a Si-based ALD-FET justify why bound electronic states are not observed in the experiment. (Author)

  11. Records for Electronic Databases in the Online Catalog at Middle Tennessee State University

    Science.gov (United States)

    Geckle, Beverly J.; Pozzebon, Mary Ellen; Williams, Jo

    2008-01-01

    This article recounts a project at the Middle Tennessee State University library to include records for electronic databases in the online catalog. Although electronic databases are accessible via the library's Databases A-Z list and related subject guides, cataloging these resources also provides access via the online catalog, allowing more of…

  12. Enhancing the Electronic Conductivity of Vanadium-tellurite Glasses by Tuning the Redox State

    DEFF Research Database (Denmark)

    Kjeldsen, Jonas; Yue, Yuanzheng

    . In this work we vary the redox state of a given vanadium tellurite system by performing post heat-treatment in controlled atmosphere. This process is in theory not limited only to varying electronic conductivity, but also varying the glass structure, and hence, changing properties of the glasses, e.g, thermal...... and mechanical properties. Finally we give insight into the relation between the redox state and electronic conductivity....

  13. The nature of apraxia in corticobasal degeneration.

    Science.gov (United States)

    Leiguarda, R; Lees, A J; Merello, M; Starkstein, S; Marsden, C D

    1994-01-01

    Although apraxia is one of the most frequent signs in corticobasal degeneration, the phenomenology of this disorder has not been formally examined. Hence 10 patients with corticobasal degeneration were studied with a standardised evaluation for different types of apraxia. To minimise the confounding effects of the primary motor disorder, apraxia was assessed in the least affected limb. Whereas none of the patients showed buccofacial apraxia, seven showed deficits on tests of ideomotor apraxia and movement imitation, four on tests of sequential arm movements (all of whom had ideomotor apraxia), and three on tests of ideational apraxia (all of whom had ideomotor apraxia). Ideomotor apraxia significantly correlated with deficit in both the mini mental state examination and in a task sensitive to frontal lobe dysfunction (picture arrangement). Two of the three patients with ideomotor apraxia and ideational apraxia showed severe cognitive impairments. The alien limb behaviour was present only in patients with ideomotor apraxia. In conclusion, ideomotor apraxia is the most frequent type of apraxia in corticobasal degeneration, and may be due to dysfunction of the supplementary motor area. There is a subgroup of patients with corticobasal degeneration who have a severe apraxia (ideomotor and ideational apraxia), which correlates with global cognitive impairment, and may result from additional parietal or diffuse cortical damage. PMID:8163995

  14. The Electronic State: Estonia’s New Media Revolution

    Directory of Open Access Journals (Sweden)

    Alec Charles

    2009-04-01

    Full Text Available This article examines the case of Estonia as one of Europe’s fastest growing informational economies, and asks whether its furious development of new media technologies, as industrial products, commercial resources and political instruments, has necessarily proven as beneficial to society at large as some domestic and international commentators have anticipated. After mapping Estonia’s unique development in embracing new technologies since the mid-1990s, the article concludes with a study of Estonia’s recent experiments in electronic voting: in 2007, Estonia was lauded as the first country in the world to afford voters at national parliamentary elections the opportunity to vote online from their homes. The article is based on a series of interviews conducted by the author with a number of prominent figures in Estonia’s IT industry, private and voluntary sectors, government service and politics. It addresses issues arising out of academic literature relating to the ethical, social and political aspects of the proliferation of new media, within the context of related surveys and reports produced by governmental and transnational organisations.

  15. Photodissociation of carbon dioxide in singlet valence electronic states. II. Five state absorption spectrum and vibronic assignment

    CERN Document Server

    Grebenshchikov, Sergy Yu

    2013-01-01

    The absorption spectrum of CO$_2$ in the wavelength range 120\\,nm --- 160\\,nm is analyzed by means of quantum mechanical calculations performed using vibronically coupled PESs of five singlet valence electronic states and the coordinate dependent transition dipole moment vectors. The thermally averaged spectrum, calculated for T=190\\,K via Boltzmann averaging of optical transitions from many initial rotational states, accurtely reproduces the experimental spectral envelope, consisting of a low and a high energy band, the positions of the absorption maxima, their FWHMs, peak intensities, and frequencies of diffuse structures in each band. Contributions of the vibronic interactions due to Renner-Teller coupling, conical intersections, and the Herzberg-Teller effect are isolated and the calculated bands are assigned in terms of adiabatic electronic states. Finally, diffuse structures in the calculated bands are vibronically assigned using wave functions of the underlying resonance states. It is demonstrated that...

  16. The spectroscopy of singlets and triplets excites electronic states, spatial and electronic structure of hydrocarbons and quantum classifications in chemmotology

    Science.gov (United States)

    Obukhov, A. E.

    2016-12-01

    In this work we demonstrate the physical foundations of the spectroscopy of the grounds states: E- and X-ray, (RR) Raman scattering the NMR 1H and 13C and IR-, EPR- absorption and the singlets and triplets electronic excited states in the multinuclear hydrocarbons in chemmotology. The parameters of UV-absorption, RR-Raman scattering of light, the fluorescence and the phosphorescence and day-lasers at the pumping laser and lamp, OLEDs and OTETs- are measurements. The spectral-energy properties are briefly studied. The quantum-chemical LCAO-MO SCF expanded-CI PPP/S and INDO/S methods in the electronic and spatial structure hidrocarbons are considered.

  17. Quantum Phase Extraction in Isospectral Electronic Nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Moon, Christopher

    2010-04-28

    Quantum phase is not a direct observable and is usually determined by interferometric methods. We present a method to map complete electron wave functions, including internal quantum phase information, from measured single-state probability densities. We harness the mathematical discovery of drum-like manifolds bearing different shapes but identical resonances, and construct quantum isospectral nanostructures possessing matching electronic structure but divergent physical structure. Quantum measurement (scanning tunneling microscopy) of these 'quantum drums' [degenerate two-dimensional electron states on the Cu(111) surface confined by individually positioned CO molecules] reveals that isospectrality provides an extra topological degree of freedom enabling robust quantum state transplantation and phase extraction.

  18. Ab initio study of the low-lying electronic states of the CaO molecule

    Energy Technology Data Exchange (ETDEWEB)

    Khalil, Hossain; Brites, Vincent; Quere, Frederic Le [Universite Paris-Est, Laboratoire de Modelisation et Simulation Multi Echelle, UMR 8208 CNRS, Batiment Lavoisier, 5 boulevard Descartes, Champs sur Marne, 77454 Marne-la-Vallee, Cedex 2 (France); Leonard, Celine, E-mail: celine.leonard@univ-paris-est.fr [Universite Paris-Est, Laboratoire de Modelisation et Simulation Multi Echelle, UMR 8208 CNRS, Batiment Lavoisier, 5 boulevard Descartes, Champs sur Marne, 77454 Marne-la-Vallee, Cedex 2 (France)

    2011-07-28

    Graphical abstract: Highly correlated ab initio calculations have been performed for an accurate determination of the electronic structure of the low-lying electronic states of the CaO molecule. The computations are done using the aug-cc-pV5Z basis set for O and the cc-pCV5Z for Ca. The potential energy curves for the molecular states correlating to the lowest three asymptotes are calculated at the CASSCF level. The potential curves of the lowest five molecular states, X{sup 1}{Sigma}{sup +}, a{sup 3}{Pi}, A'{sup 1{Pi}}, b{sup 3}{Sigma}{sup +} and A{sup 1}{Sigma}{sup +}, and the corresponding dipole moment functions have been determined using internally contracted multi-reference configuration interaction approaches. The spectroscopic constants associated with these electronic states are compared to experimental values. The corresponding electronic wavefunctions have also been analyzed using the dipole moment functions. Display Omitted Highlights: {yields} The five lowest electronic states of Cao have been determined ab initio at a high level of accuracy. {yields} Large active space, core-valence correlation and configuration interaction are required. {yields} The multi-configurational nature of the electronic ground state is confirmed as well as its monovalent and divalent ionic nature using dipole moment analysis. {yields} These interacting potentials will serve for future obtention of spin-rovibronic levels. - Abstract: Highly correlated ab initio calculations have been performed for an accurate determination of the electronic structure of the low-lying electronic states of the CaO molecule. The computations are done using the aug-cc-pV5Z basis set for O and the cc-pCV5Z for Ca. The potential energy curves for the molecular states correlating to the lowest three asymptotes are calculated at the CASSCF level. The potential curves of the lowest five molecular states, X{sup 1}{Sigma}{sup +}, a{sup 3}{Pi}, A'{sup 1}{Pi}, b{sup 3}{Sigma}{sup +} and A{sup 1

  19. Formation of bound states of electrons in spherically symmetric oscillations of plasma

    CERN Document Server

    Dvornikov, Maxim

    2010-01-01

    We study spherically symmetric oscillations of electrons in plasma in frames of the classical electrodynamics. First we analyze the electromagnetic potentials for the system of radially oscillating charged particles. Then we consider both free and forced spherically symmetric oscillations of electrons. Finally we discuss the interaction between radially oscillating electrons through the exchange of ion acoustic waves. It is obtained that the effective potential of this interaction can be attractive and can transcend the Debye-Hueckel potential. We suggest that oscillating electrons can form bound states at the initial staged of the spherical plasma structure evolution. The application of the obtained results to the theory of natural plasmoids are considered.

  20. The Helium Field Effect Transistor (I): Storing Surface State Electrons on Helium Films

    Science.gov (United States)

    Ashari, M.; Rees, D. G.; Kono, K.; Scheer, E.; Leiderer, P.

    2012-04-01

    We present investigations of surface state electrons on liquid helium films in confined geometry, using a suitable substrate structure microfabricated on a silicon wafer, similar to a Field Effect Transistor (FET). The sample has a source and drain region, separated by a gate structure, which consists of two gold electrodes with a narrow gap (channel) through which the transport of the surface state electrons takes place. The sample is illuminated to provide a sufficient number of free carriers in the silicon substrate, such that a well-defined potential distribution is achieved. The eventual goal of these experiments is to study the electron transport through a narrow channel in the various states of the phase diagram of the 2D electron system. In the present work we focus on storing the electrons in the source area of the FET, and investigate the spatial distribution of these electrons. It is shown that under the influence of a potential gradient in the silicon substrate the electrons accumulate in front of the potential barrier of the gate. The electron distribution, governed by Coulomb repulsion and by the substrate potential, is determined experimentally. The result is found to be in good agreement with a parallel-plate capacitor model of the system, developed with the aid of a finite element calculation of the surface potential profile of the device.

  1. Characterization of adsorption and electronic excited states of quercetin on titanium dioxide nanoparticles

    Science.gov (United States)

    Zdyb, Agata; Krawczyk, Stanisław

    2016-03-01

    Adsorption of quercetin on colloidal titanium dioxide nanoparticles in ethanol and its excited-state electronic structure were investigated by means of electronic and vibrational spectroscopies. The changes in electronic charge redistribution as reflected by the dipole moment difference, ∆μ, between the ground and excited electronic states were measured with electroabsorption spectroscopy and analyzed using results of TD DFT computations. Adsorption of quercetin causes a red shift of its absorption spectrum. Raman spectra of quercetin analyzed with reference to analogous data for morin indicate binding of quercetin through the hydroxy groups of the catechol moiety. The difference dipole moment, which is 5.5 D in free quercetin, increases to 11.8 D in opposite direction in adsorbed quercetin, and is associated with charge-transfer to the Ti atom. The computed transition energy, intensity, vector Δμ and molecular orbitals involved in the electronic transition at different molecular configurations indicate a bidentate chelating mode of binding of quercetin.

  2. Electron energy-loss spectroscopy of excited states of the pyridine molecules

    Science.gov (United States)

    Linert, Ireneusz; Zubek, Mariusz

    2016-04-01

    Electron energy-loss spectra of the pyridine, C5H5N, molecules in the gas phase have been measured to investigate electronic excitation in the energy range 3.5-10 eV. The applied wide range of residual electron energy and the scattering angle range from 10° to 180° enabled to differentiate between optically-allowed and -forbidden transitions. These measurements have allowed vertical excitation energies of the triplet excited states of pyridine to be determined and tentative assignments of these states to be proposed. Some of these states have not been identified in the previous works. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.

  3. Visualizing One-Dimensional Electronic States and their Scattering in Semi-conducting Nanowires

    Science.gov (United States)

    Beidenkopf, Haim; Reiner, Jonathan; Norris, Andrew; Nayak, Abhay Kumar; Avraham, Nurit; Shtrikman, Hadas

    One-dimensional electronic systems constitute a fascinating playground for the emergence of exotic electronic effects and phases, within and beyond the Tomonaga-Luttinger liquid paradigm. More recently topological superconductivity and Majorana modes were added to that long list of phenomena. We report scanning tunneling microscopy and spectroscopy measurements conducted on pristine, epitaxialy grown InAs nanowires. We resolve the 1D electronic band structure manifested both via Van-Hove singularities in the local density-of-states, as well as by the quasi-particle interference patterns, induced by scattering from surface impurities. By studying the scattering of the one-dimensional electronic states off various scatterers, including crystallographic defects and the nanowire end, we identify new one-dimensional relaxation regimes and yet unexplored effects of interactions. Some of these may bear implications on the topological superconducting state and Majorana modes therein. The authors acknowledge support from the Israeli Science Foundation (ISF).

  4. The negative energy density for a three-single-electron state in the Dirac field

    Institute of Scientific and Technical Information of China (English)

    Shu Wei-Xing; Yu Hong-Wei; Wu Pu-Xun

    2004-01-01

    We examine the energy density produced by a state vector which is the superposition of three single electron states in the Dirac field in the four-dimensional Minkowski spacetime. We derive the conditions on which the energy density can be negative. We then show that the energy density satisfies two quantum inequalities in the ultrarelativistic limit.

  5. Metastable states' population of uranium atoms produced by electron-beam heating

    Energy Technology Data Exchange (ETDEWEB)

    Ohba, Hironori; Shibata, Takemasa [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Nishimura, Akihiko; Ogura, Koichi [Japan Atomic Energy Research Inst., Kansai Research Establishment, Advanced Photon Research Center, Kyoto (Japan)

    2000-08-01

    The metastable states' population densities of uranium atoms produced by electron-beam heating were measured by the laser induced fluorescence method. The atomic excitation temperature derived from the metastable state distribution was lower than the evaporation surface temperature. With increasing deposition rate, the atomic excitation temperature decreased to about 2000 K. (author)

  6. Electronic interconnects and devices with topological surface states and methods for fabricating same

    Energy Technology Data Exchange (ETDEWEB)

    Yazdani, Ali; Ong, N. Phuan; Cava, Robert J.

    2017-04-04

    An interconnect is disclosed with enhanced immunity of electrical conductivity to defects. The interconnect includes a material with charge carriers having topological surface states. Also disclosed is a method for fabricating such interconnects. Also disclosed is an integrated circuit including such interconnects. Also disclosed is a gated electronic device including a material with charge carriers having topological surface states.

  7. Electronic interconnects and devices with topological surface states and methods for fabricating same

    Energy Technology Data Exchange (ETDEWEB)

    Yazdani, Ali; Ong, N. Phuan; Cava, Robert J.

    2016-05-03

    An interconnect is disclosed with enhanced immunity of electrical conductivity to defects. The interconnect includes a material with charge carriers having topological surface states. Also disclosed is a method for fabricating such interconnects. Also disclosed is an integrated circuit including such interconnects. Also disclosed is a gated electronic device including a material with charge carriers having topological surface states.

  8. Satellites and solid state electronics test concrete pressure water pipelines

    Science.gov (United States)

    Fumo, John; Worthington, Will

    2000-06-01

    Like all structures, water pressure pipelines have a finite life. Pipelines will eventually begin to fail, leaving the pipeline owner to deal with the quandary: what caused this to happen, can we prevent future failures, must we replace this structure now? The causes for pipeline failure include defects and anomalies which may occur in any phase of a pipeline's life: during the engineering, the manufacture, the construction, or the operation. Failure may simply be the result of environmental conditions or old age. In the past five years, passive acoustic emission detection technology has been adapted to concrete pressure pipelines. This method of inspection is based on the caustic emissions made by the prestressed reinforcing wire as it releases its energy. A recently patented method of using this technology relies on a series of remote, independent test stations to detect, record and time-stamp these acoustic emissions. A low-powered, high- performance embedded processor system makes use of global positioning system time signals to synchronize multiple stations. These methods are re-defining the standard of care of water pressure pipelines. This paper describes pipeline failure mechanisms and a state-of-the-art data sampling system which has been developed to evaluate pipeline structural integrity.

  9. Broadband 2D Electronic Spectroscopy Reveals Coupling Between Dark 1Bu- State of Carotenoid and Qx State of Bacteriochlorophyll

    Directory of Open Access Journals (Sweden)

    Scholes Gregory D.

    2013-03-01

    Full Text Available The study of LH2 protein of purple bacteria by broadband 2D electronic spectroscopy is presented. The dark 1Bu- carotenoid state is directly observed in 2D spectra and its role in carotenoid-bacteriochlorophyll interaction is discussed.

  10. Intervertebral disc degeneration in dogs

    NARCIS (Netherlands)

    Bergknut, Niklas

    2011-01-01

    Back pain is common in both dogs and humans, and is often associated with intervertebral disc (IVD) degeneration. The IVDs are essential structures of the spine and degeneration can ultimately result in diseases such as IVD herniation or spinal instability. In order to design new treatments halting

  11. Propagation of Disturbances in Degenerate Quantum Systems

    CERN Document Server

    Chancellor, Nicholas

    2011-01-01

    Disturbances in gapless quantum many-body models are known to travel an unlimited distance throughout the system. Here, we explore this phenomenon in finite clusters with degenerate ground states. The specific model studied here is the one-dimensional J1-J2 Heisenberg Hamiltonian at and close to the Majumdar-Ghosh point. Both open and periodic boundary conditions are considered. Quenches are performed using a local magnetic field. The degenerate Majumdar-Ghosh ground state allows disturbances which carry quantum entanglement to propagate throughout the system, and thus dephase the entire system within the degenerate subspace. These disturbances can also carry polarization, but not energy, as all energy is stored locally. The local evolution of the part of the system where energy is stored drives the rest of the system through long-range entanglement. We also examine approximations for the ground state of this Hamiltonian in the strong field limit, and study how couplings away from the Majumdar-Ghosh point aff...

  12. Ground State of a Two-Electron Quantum Dot with a Gaussian Confining Potential

    Institute of Scientific and Technical Information of China (English)

    XIE Wen-Fang

    2006-01-01

    We investigate the ground-state properties of a two-dimensional two-electron quantum dot with a Gaussian confining potential under the influence of perpendicular homogeneous magnetic field. Calculations are carried out by using the method of numerical diagonalization of Hamiltonian matrix within the effective-mass approximation. A ground-state behaviour (singlet→triplet state transitions) as a function of the strength of a magnetic field has been found. It is found that the dot radius R of the Gaussian potential is important for the ground-state transition and the feature of ground-state for the Gaussian potential quantum dot (QD), and the parabolic potential QDs are similar when R is larger. The larger the quantum dot radius, the smaller the magnetic field for the singlet-triplet transition of the ground-state of two interacting electrons in the Gaussian quantum dot.

  13. Spin-Orbit Coupling Controlled J =3 /2 Electronic Ground State in 5 d3 Oxides

    Science.gov (United States)

    Taylor, A. E.; Calder, S.; Morrow, R.; Feng, H. L.; Upton, M. H.; Lumsden, M. D.; Yamaura, K.; Woodward, P. M.; Christianson, A. D.

    2017-05-01

    Entanglement of spin and orbital degrees of freedom drives the formation of novel quantum and topological physical states. Here we report resonant inelastic x-ray scattering measurements of the transition metal oxides Ca3 LiOsO6 and Ba2 YOsO6 , which reveals a dramatic spitting of the t2 g manifold. We invoke an intermediate coupling approach that incorporates both spin-orbit coupling and electron-electron interactions on an even footing and reveal that the ground state of 5 d3-based compounds, which has remained elusive in previously applied models, is a novel spin-orbit entangled J =3 /2 electronic ground state. This work reveals the hidden diversity of spin-orbit controlled ground states in 5 d systems and introduces a new arena in the search for spin-orbit controlled phases of matter.

  14. Exact many-electron ground states on the diamond Hubbard chain

    Science.gov (United States)

    Gulacsi, Zsolt; Kampf, Arno; Vollhardt, Dieter

    2008-03-01

    Exact ground states of interacting electrons on the diamond Hubbard chain in a magnetic field are constructed which exhibit a wide range of properties such as flat-band ferromagnetism, correlation induced metallic, half-metallic, or insulating behavior [1]. The properties of these ground states can be tuned by changing the magnetic flux, local potentials, or electron density.The results show that the studied simple one-dimensional structure displays remarkably complex physical properties. The virtue of tuning different ground states through external parameters points to new possibilities for the design of electronic devices which can switch between insulating or conducting and nonmagnetic or (fully or partially spin polarized) ferromagnetic states, open new routes for the design of spin-valve devices and gate induced ferromagnetism. [1] Z. Gulacsi, A. Kampf, D. Vollhardt, Phys. Rev. Lett. 99, 026404(2007).

  15. The Electronic States of a Double Carbon Vacancy Defect in Pyrene: A Model Study for Graphene

    CERN Document Server

    Machado, Francisco B C; Lischka, Hans

    2016-01-01

    The electronic states occurring in a double vacancy defect for graphene nanoribbons have been calculated in detail based on a pyrene model. Extended ab initio calculations using the MR configuration interaction (MRCI) method have been performed to describe in a balanced way the manifold of electronic states derived from the dangling bonds created by initial removal of two neighboring carbon atoms from the graphene network. In total, this study took into account the characterization of 16 electronic states (eight singlets and eight triplets) considering unrelaxed and relaxed defect structures. The ground state was found to be of 1Ag character with around 50% closed shell character. The geometry optimization process leads to the formation of two five-membered rings in a pentagon octagon pentagon structure. The closed shell character increases thereby to ~70%, the analysis of unpaired density shows only small contributions confirming the chemical stability of that entity. For the unrelaxed structure the first fi...

  16. Electronic Entanglement Concentration for the Concatenated Greenberger-Horne-Zeilinger State

    Science.gov (United States)

    Ding, Shang-Ping; Zhou, Lan; Gu, Shi-Pu; Wang, Xing-Fu; Sheng, Yu-Bo

    2017-06-01

    Concatenated Greenberger-Horne-Zeilinger (C-GHZ) state, which encodes many physical qubits in a logic qubit will have important applications in both quantum communication and computation. In this paper, we will describe an entanglement concentration protocol (ECP) for electronic C-GHZ state, by exploiting the electronic polarization beam splitters (PBSs) and charge detection. This protocol has several advantages. First, the parties do not need to know the exact coefficients of the initial less-entangled C-GHZ state, which makes this protocol feasible. Second, with the help of charge detection, the distilled maximally entangled C-GHZ state can be remained for future application. Third, this protocol can be repeated to obtain a higher success probability. We hope that this protocol can be useful in future quantum computation based on electrons.

  17. Low-Lying Resonance States of Slow Electron Collisions With Atomic Oxygen

    Institute of Scientific and Technical Information of China (English)

    吴建华; 袁建民

    2003-01-01

    A 39-target state close-coupling calculation of low-energy electron scattering from atomic oxygen is carried out with core-valence electron correlation by using R-matrix method. It is shown that the elastic cross section has a huge and sharp increase with the electron energy going down below 1eV. This remarkable structure is attributed to a few very low-lying potential resonances and the features of these resonances are given with partial cross sections. It is also shown that after considering excitations of two electrons from 2s shell, the three lowest atomic energy levels are in agreement with experimental results better than that just considering excitations of two electrons from the 2p shell as well as only one electron from the 2s shell. Elastic and two excitation (3P → 1 D and 3p → 1S) cross sections are given and compared with the other theoretical and experimental results.

  18. Electron impact excitation and assignment of the low-lying electronic states of N2O

    Science.gov (United States)

    Hall, R. I.; Chutjian, A.; Trajmar, S.

    1973-01-01

    Electron scattering spectra of nitrous oxide are reported in the 5- to 10-eV energy-loss range at scattering angles of 20, 30, 90, and 130 deg at a residual energy of 7.0 eV; and at residual energies of 10.0, 2.0, 1.0, 0.6, and 0.2 eV at a scattering angle of 90 deg. Several new distinct and overlapping continua are observed to lie in this energy-loss range. The experimental spectra are discussed in the light of semiempirical INDO calculations of Chutjian and Segal (1972) of the vertical transition energies of N2O. An assignment of the symmetries of the observed excitations consistent with the experimental and theoretical data is suggested.

  19. Facts about Age-Related Macular Degeneration

    Science.gov (United States)

    ... Degeneration (AMD) > Facts About Age-Related Macular Degeneration Facts About Age-Related Macular Degeneration This information was ... an Eye Care Professional Last Reviewed: September 2015 Fact Sheet Blurb The National Eye Institute (NEI) is ...

  20. Revised Model of the Steady-state Solar Wind Halo Electron Velocity Distribution Function

    Science.gov (United States)

    Yoon, Peter H.; Kim, Sunjung; Choe, G. S.; moon, Y.-J.

    2016-08-01

    A recent study discussed the steady-state model for solar wind electrons during quiet time conditions. The electrons emanating from the Sun are treated in a composite three-population model—the low-energy Maxwellian core with an energy range of tens of eV, the intermediate ˜102-103 eV energy-range (“halo”) electrons, and the high ˜103-105 eV energy-range (“super-halo”) electrons. In the model, the intermediate energy halo electrons are assumed to be in resonance with transverse EM fluctuations in the whistler frequency range (˜102 Hz), while the high-energy super-halo electrons are presumed to be in steady-state wave-particle resonance with higher-frequency electrostatic fluctuations in the Langmuir frequency range (˜105 Hz). A comparison with STEREO and WIND spacecraft data was also made. However, ignoring the influence of Langmuir fluctuations on the halo population turns out to be an unjustifiable assumption. The present paper rectifies the previous approach by including both Langmuir and whistler fluctuations in the construction of the steady-state velocity distribution function for the halo population, and demonstrates that the role of whistler-range fluctuation is minimal unless the fluctuation intensity is arbitrarily raised. This implies that the Langmuir-range fluctuations, known as the quasi thermal noise, are important for both halo and super-halo electron velocity distribution.

  1. CKD Increases the Risk of Age-Related Macular Degeneration

    OpenAIRE

    Liew, Gerald; Mitchell, Paul; Wong, Tien Yin; Iyengar, Sudha K; Wang, Jie Jin

    2008-01-01

    Age-related macular degeneration is the leading cause of irreversible blindness in the United States and often coexists with chronic kidney disease. Both conditions share common genetic and environmental risk factors. A total of 1183 participants aged 54+ were examined in the population-based, prospective cohort Blue Mountains Eye Study (Australia) to determine if chronic kidney disease increases the risk of age-related macular degeneration. Moderate chronic kidney disease (estimated glomerul...

  2. Electronic Structure and Oxidation State Changes in the Mn (4) Ca Cluster of Photosystem II

    Energy Technology Data Exchange (ETDEWEB)

    Yano, J.; Pushkar, Y.; Messinger, J.; Bergmann, U.; Glatzel, P.; Yachandra, V.K.; /SLAC

    2012-08-17

    Oxygen-evolving complex (Mn{sub 4}Ca cluster) of Photosystem II cycles through five intermediate states (S{sub i}-states, i = 0-4) before a molecule of dioxygen is released. During the S-state transitions, electrons are extracted from the OEC, either from Mn or alternatively from a Mn ligand. The oxidation state of Mn is widely accepted as Mn{sub 4}(III{sub 2},IV{sub 2}) and Mn{sub 4}(III,IV{sub 3}) for S{sub 1} and S{sub 2} states, while it is still controversial for the S{sub 0} and S{sub 3} states. We used resonant inelastic X-ray scattering (RIXS) to study the electronic structure of Mn{sub 4}Ca complex in the OEC. The RIXS data yield two-dimensional plots that provide a significant advantage by obtaining both K-edge pre-edge and L-edge-like spectra (metal spin state) simultaneously. We have collected data from PSII samples in the each of the S-states and compared them with data from various inorganic Mn complexes. The spectral changes in the Mn 1s2p{sub 3/2} RIXS spectra between the S-states were compared to those of the oxides of Mn and coordination complexes. The results indicate strong covalency for the electronic configuration in the OEC, and we conclude that the electron is transferred from a strongly delocalized orbital, compared to those in Mn oxides or coordination complexes. The magnitude for the S{sub 0} to S{sub 1}, and S{sub 1} to S{sub 2} transitions is twice as large as that during the S{sub 2} to S{sub 3} transition, indicating that the electron for this transition is extracted from a highly delocalized orbital with little change in charge density at the Mn atoms.

  3. Quantum entanglement for two electrons in the excited states of helium-like systems

    CERN Document Server

    Lin, Yen-Chang

    2013-01-01

    The quantum entanglement for the two electrons in the excited states of the helium-like atom/ions is investigated using the two-electron wave functions constructed by the B-spline basis. As a measure of the spatial (electron-electron orbital) entanglement, the von Neumann entropy and linear entropy of the reduced density matrix are calculated for the 1s2s 1,3S excited states for systems with some selected Z values from Z=2 to Z=100. Results for the helium atom are compared with other available calculations. We have also investigated the entropies for these excited states when the nucleus charge is reduced from Z=2 to Z=1. At such a critical charge, all the singly-excited states of this system become unbound, and the linear entropies and the von Neumann entropies for the excited states are approaching 1/2 and 1, respectively, the limits for the entropies when one electron is bound to the nucleus, and the other being free.

  4. The superatom states of fullerenes and their hybridization into the nearly free electron bands of fullerites.

    Science.gov (United States)

    Zhao, Jin; Feng, Min; Yang, Jinlong; Petek, Hrvoje

    2009-04-28

    Motivated by the discovery of the superatom states of C60 molecules, we investigate the factors that influence their energy and wave function hybridization into nearly free electron bands in molecular solids. As the n = 3 solutions of the radial Schrodinger equation of the central attractive potential consisting of the short-range C atom core and the long-range collective screening potentials, respectively, located on the icosahedral C60 molecule shell and within its hollow core, superatom states are distinguished by their atom-like orbitals corresponding to different orbital angular momentum states (l = 0, 1, 2,...). Because they are less tightly bound than the pi orbitals, that is, the n = 2 states, which are often exploited in the intermolecular electron transport in aromatic organic molecule semiconductors, superatom orbitals hybridize more extensively among aggregated molecules to form bands with nearly free electron dispersion. The prospect of exploiting the strong intermolecular coupling to achieve metal-like conduction in applications such as molecular electronics may be attained by lowering the energy of superatom states from 3.5 eV for single chemisorbed C60 molecules to below the Fermi level; therefore, we study how the superatom state energies depend on factors such as their aggregation into 1D-3D solids, cage size, and exo- and endohedral doping by metal atoms. We find, indeed, that if the ionization potential of endohedral atom, such as copper, is sufficiently large, superatom states can form the conduction band in the middle of the gap between the HOMO and LUMO of the parent C60 molecule. Through a plane-wave density functional theory study, we provide insights for a new paradigm for intermolecular electronic interaction beyond the conventional one among the sp(n) hybridized orbitals of the organic molecular solids that could lead to design of novel molecular materials and quantum structures with extraordinary optical and electronic properties.

  5. The electronic states of TeH{sup +}: A theoretical contribution

    Energy Technology Data Exchange (ETDEWEB)

    Gonçalves dos Santos, Levi; Oliveira-Filho, Antonio Gustavo S. de; Ornellas, Fernando R., E-mail: frornell@usp.br [Departamento de Química Fundamental, Instituto de Química, Universidade de São Paulo, Av. Prof. Lineu Prestes, 748, São Paulo, São Paulo 05508-000 (Brazil)

    2015-01-14

    This work reports the first theoretical characterization of a manifold of electronic states of the as yet experimentally unknown monotellurium monohydride cation, TeH{sup +}. Both Λ + S and Ω representations were described showing the twelve states correlating with the three lowest (Λ + S) dissociation channels, and the twenty five states associated with the five lowest Ω channels. The X {sup 3}Σ{sup −} state is split into X{sub 1} 0{sup +} and X{sub 2} 1 separated by 1049 cm{sup −1}; they are followed by the states a 2 (a {sup 1}Δ) and b 0{sup +} (b {sup 1}Σ{sup +}) higher in energy by 8554 and 17 383 cm{sup −1}, respectively. These states can accommodate several vibrational energy levels. The potential energy curves of the Ω states arising from the bound A {sup 3}Π, the weakly bound {sup 1}Π, and the repulsive {sup 5}Σ{sup −} states have a complex structure as shown by the very close avoided crossings just above ∼30 000 cm{sup −1}. In particular, a double minima potential results for the state A{sub 1} 2 that in principle could be probed experimentally through the A{sub 1} 2–X{sub 2} 1 system transitions. The states A{sub 2} 1, b 0{sup +}, and A{sub 4} 0{sup +} offer possible routes to experimental investigations involving the ground state X{sub 1} 0{sup +}. Higher energy states are very dense and mostly repulsive. The high-level of the electronic structure calculations, by providing a global view of the electronic states and reliable spectroscopic parameters, is expected to further guide and motivate experimental studies on this species. Additional discussions on dipole and transition dipole moments, transition probabilities, radiative lifetimes, and a simulation of the single ionization spectrum complement the characterization of this system.

  6. Electronic structure of tris(2-phenylpyridine)iridium: electronically excited and ionized states

    Science.gov (United States)

    Fine, J.; Diri, K.; Krylov, A. I.; Nemirow, C.; Lu, Z.; Wittig, C.

    2012-08-01

    A computational study of tris(2-phenylpyridine)iridium, Ir(ppy)3, is presented. The perspective is that of using organo-transition-metal complexes as phosphorescent species in light-emitting diodes (OLED's). Quantum yields approaching 100% are possible through a triplet harvesting mechanism. Complexes such as Ir(ppy)3 are amenable to exacting experimental and theoretical studies: small enough to accommodate rigor, yet large enough to support bulk phenomena in a range of host materials. The facial and meridional isomers differ by ∼220 meV, with fac-Ir(ppy)3 having the lower energy. Because fac-Ir(ppy)3 dominates in most environments, focus is on this species. Time-dependent density functional theory using long-range-corrected functionals (BNL and ωB97X) is used to calculate excited states of Ir(ppy)3 and a few low energy states of ? . The calculated T1 - S0 energy gap (2.30 eV) is in reasonable agreement with the experimental value of 2.44 eV. Only a few percent of singlet character in T1 is needed to explain so short a phosphorescence lifetime as 200 ns, because of the large ? and ? absorption cross-sections. Equilibrium geometries are calculated for S0, T1, and the lowest cation state (D0), and several ionization energies are obtained: adiabatic (5.86 eV); vertical from the S0 equilibrium geometry (5.88 eV); and vertical ionization of T1 at its equilibrium geometry (5.87 eV). These agree with a calculation by Hay (5.94 eV), and with the conservative experimental upper bound of 6.4 eV. Molecular orbitals provide qualitative explanations. A calculated UV absorption spectrum, in which transitions are vertical from the S0 equilibrium geometry, agrees with the room temperature experimental spectrum. This is consistent with Franck-Condon factors dominated by ? , as expected given the delocalized nature of the orbitals. Ir(ppy)3 vibrational frequencies were calculated and used to estimate the probability density ? for 500 K, i.e. the temperature at which the

  7. Configuration interaction with Kohn Sham orbitals and their relation to excited electronic states

    Science.gov (United States)

    Bouř, Petr

    2001-09-01

    Kohn-Sham (KS) orbitals in CH 2, formaldehyde and acetone molecules were used as reference states for configuration interaction (CI) instead of the usual Hartree-Fock (HF) orbitals. A little difference in overall accuracy of electronic excitation energies was found between these schemes. However, analysis of the wave functions indicated that Slater determinant with the KS orbitals is more suitable for construction of the electronic states. Typically, the main expansion coefficients for the CI/KS procedure were closer to unity than those for HF. The difference was most pronounced for the lowest-energy transitions, while the two methods provided more comparable results for the higher-energy states. Similar behaviour of singlet and triplet states was observed. The results justify the common practice of using the KS determinant as a wave function, for example in sum-over-states theories.

  8. Electronic states in crystals of finite size quantum confinement of bloch waves

    CERN Document Server

    Ren, Shang Yuan

    2017-01-01

    This book presents an analytical theory of the electronic states in ideal low dimensional systems and finite crystals based on a differential equation theory approach. It provides precise and fundamental understandings on the electronic states in ideal low-dimensional systems and finite crystals, and offers new insights into some of the basic problems in low-dimensional systems, such as the surface states and quantum confinement effects, etc., some of which are quite different from what is traditionally believed in the solid state physics community. Many previous predictions have been confirmed in subsequent investigations by other authors on various relevant problems. In this new edition, the theory is further extended to one-dimensional photonic crystals and phononic crystals, and a general theoretical formalism for investigating the existence and properties of surface states/modes in semi-infinite one-dimensional crystals is developed. In addition, there are various revisions and improvements, including us...

  9. Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics

    Science.gov (United States)

    Neville, Simon P.; Averbukh, Vitali; Ruberti, Marco; Yun, Renjie; Patchkovskii, Serguei; Chergui, Majed; Stolow, Albert; Schuurman, Michael S.

    2016-10-01

    We investigate the sensitivity of X-ray absorption spectra, simulated using a general method, to properties of molecular excited states. Recently, Averbukh and co-workers [M. Ruberti et al., J. Chem. Phys. 140, 184107 (2014)] introduced an efficient and accurate L 2 method for the calculation of excited state valence photoionization cross-sections based on the application of Stieltjes imaging to the Lanczos pseudo-spectrum of the algebraic diagrammatic construction (ADC) representation of the electronic Hamiltonian. In this paper, we report an extension of this method to the calculation of excited state core photoionization cross-sections. We demonstrate that, at the ADC(2)x level of theory, ground state X-ray absorption spectra may be accurately reproduced, validating the method. Significantly, the calculated X-ray absorption spectra of the excited states are found to be sensitive to both geometric distortions (structural dynamics) and the electronic character (electronic dynamics) of the initial state, suggesting that core excitation spectroscopies will be useful probes of excited state non-adiabatic dynamics. We anticipate that the method presented here can be combined with ab initio molecular dynamics calculations to simulate the time-resolved X-ray spectroscopy of excited state molecular wavepacket dynamics.

  10. Preparation of cluster states with trapped electrons on a liquid helium surface

    Institute of Scientific and Technical Information of China (English)

    Ai Ling-Yan; Shi Yan-Li; Zhang Zhi-Ming

    2011-01-01

    We present a scheme for the preparation of one-dimensional (1D) and two-dimensional (2D) cluster states with electrons trapped on a liquid helium surface and driven by a classical laser beam.The two lowest levels of the vertical motion of the electron act as a two-level system,and the quantized vibration of the electron along one of the parallel directions (the x direction) serves as the bosonic mode.The degrees of freedom of the vertical and parallel motions of the trapped electron can be coupled together by a classical laser field.With the proper frequency of the laser field,the cluster states can be realized.

  11. The de Broglie Relations Derived from the Electron and Proton Coupling to the Planck Vacuum State

    Directory of Open Access Journals (Sweden)

    Daywitt W. C.

    2015-04-01

    Full Text Available This paper argues that the de Broglie relations for the electron and proton are the re- sult of their coupling to the Planck vacuum state, the continuum nature of that state impressing a wave-like behavior onto the free-space-particle aspect of the two particles. Lorentz transforming the vanishing of their corresponding particle / vacuum coupling forces at their respective Compton radii, treated as Lorentz invariant constants, leads to their space-direction and time-direction de Broglie relations. Results: explain the peculiar form of the relativistic particle energy √ m 2 c 4 + c 2 p 2 ; define the de Broglie waves for the electron and proton as periodic undulations within the Planck vacuum in the vicinity of the electron and proton cores; and easily explain the double-slit electron- diffraction thought experiment.

  12. A hybrid density functional study on the electron and hole trap states in anatase titanium dioxide.

    Science.gov (United States)

    Yamamoto, Takenori; Ohno, Takahisa

    2012-01-14

    We present a theoretical study on electron and hole trap states in the bulk and (001) surface of anatase titanium dioxide using screened hybrid density functional calculations. In both the bulk and surface, calculations suggest that the neutral and ionized oxygen vacancies are possible electron traps. The doubly ionized oxygen vacancy is the most stable in the bulk, and is a candidate for a shallow donor in colorless anatase crystals. The hole trap states are localized at oxygen anions in both the bulk and surface. The self-trapped electron centered at a titanium cation cannot be produced in the bulk, but can be formed at the surface. The electron trap level at the surface oxygen vacancy is consistent with observations by photoelectron spectroscopy. The optical absorptions and luminescence in UV-irradiated anatase nanoparticles are found to come from the surface self-trapped hole and the surface oxygen vacancy.

  13. Renormalization of spin polarized itinerant electron bands in the normal state of a model ferromagnetic superconductor

    Institute of Scientific and Technical Information of China (English)

    Ma Lei; Huang Ai-Qun; Li Jun

    2011-01-01

    This paper studies the normal state properties of itinerant electrons in a toy model, which is constructed according to the model for coexisting ferromagnetism and superconductivity proposed by Suhl [Suhl H 2001 Phys. Rev. Lett. 87 167007]. In this theory with ferromagnetic ordering based on localized spins, the exchange interaction J between conduction electrons and localized spin is taken as the pairing glue for s-wave superconductivity. It shows that this J term will first renormalize the normal state single conduction electron structures substantially. It finds dramatically enhanced or suppressed magnetization of itinerant electrons for positive or negative J. Singlet Cooper pairing can be ruled out due to strong spin polarisation in the J > 0 case while a narrow window for s-wave superconductivity is opened around some ferromagnetic J.

  14. Spatially inhomogeneous electron state deep in the extreme quantum limit of strontium titanate.

    Science.gov (United States)

    Bhattacharya, Anand; Skinner, Brian; Khalsa, Guru; Suslov, Alexey V

    2016-09-29

    When an electronic system is subjected to a sufficiently strong magnetic field that the cyclotron energy is much larger than the Fermi energy, the system enters the extreme quantum limit (EQL) and becomes susceptible to a number of instabilities. Bringing a three-dimensional electronic system deeply into the EQL can be difficult however, since it requires a small Fermi energy, large magnetic field, and low disorder. Here we present an experimental study of the EQL in lightly-doped single crystals of strontium titanate. Our experiments probe deeply into the regime where theory has long predicted an interaction-driven charge density wave or Wigner crystal state. A number of interesting features arise in the transport in this regime, including a striking re-entrant nonlinearity in the current-voltage characteristics. We discuss these features in the context of possible correlated electron states, and present an alternative picture based on magnetic-field induced puddling of electrons.

  15. The double ionization of H{sub 2} by fast electron impact: Influence of the final state electron-electron correlation

    Energy Technology Data Exchange (ETDEWEB)

    Chuluunbaatar, O., E-mail: chuka@jinr.ru; Gusev, A. A., E-mail: gooseff@jinr.ru [Joint Institute for Nuclear Research (Russian Federation); Joulakian, B. B., E-mail: boghos.joulakian@univ-lorraine.fr [Universite Paul Verlaine-Metz, Laboratoire de Physique Moleculaire et des Collisions, Institut Jean Barriol (France)

    2013-02-15

    We have determined fully differential cross sections of the (e, 3e) double ionization of H{sub 2} by employing correlated initial- and final-state wave functions. We have constructed for the description of the two slow ejected electrons a symmetrized product of a correlation function and two-center continuum wave functions, which fulfill the correct boundary conditions asymptotically up to the order O((kr){sup -2}). We have shown that the introduction of the correlated part of the final-state wave function improves the results on the (e, 3-1e) of H{sub 2}.

  16. The electronically excited states of helium clusters: an unusual example for the presence of Rydberg states in condensed matter

    Science.gov (United States)

    von Haeften, Klaus; Laarmann, Tim; Wabnitz, Hubertus; Möller, Thomas

    2005-01-01

    The nature of the electronically excited states of He clusters and their relaxation mechanisms are investigated by spectroscopy using monochromatized synchrotron radiation. Time correlated fluorescence excitation and energy resolved luminescence spectra of the clusters are recorded in separate wavelength ranges. The size of the clusters and the isotopic constitution is also varied. The spectral features are analysed and discussed particularly with regard to the high lying states and their possible Rydberg nature. While Rydberg states seem not to exist in the interior region of large clusters there is experimental evidence that sharp lines in the spectrum are either due to He Rydberg atoms or excimer molecules in high vibrational states bound at the surface of large clusters or due to very small positively charged clusters with the Rydberg electron outside. The spectra of large 3He clusters exhibit a larger contribution of Rydberg lines than 4He clusters. He clusters also emit fluorescence at energies above the ionization energy of He atoms. This is attributed to the barrier for the injection of electrons into the conduction band which was found to be 1.35 eV for 4He and 0.95 eV for 3He clusters, respectively.

  17. Influence of variations in the electron-electron interaction on the ground state metric space "band structure" of a two-electron magnetic system

    Science.gov (United States)

    Sharp, P. M.; D'Amico, I.

    2016-02-01

    We consider a model system of two electrons confined in a two-dimensional harmonic oscillator potential, with the electrons interacting via an α / r2 potential, and subject to a magnetic field applied perpendicular to the plane of confinement. Our results show that variations in the strength of the electron-electron interaction generate a "band structure" in ground state metric spaces, which shares many characteristics with those generated as a result of varying the confinement potential. In particular, the metric spaces for wavefunctions, particle densities, and paramagnetic current densities all exhibit distinct "bands" and "gaps". The behavior of the polar angle of the bands also shares traits with that obtained by varying the confinement potential, but the behavior of the arc lengths of the bands on the metric space spheres can be seen to be different for the two cases and opposite for a large range of angular momentum values. The findings here and in Refs. [1,2] demonstrate that the "band structure" that arises in ground state metric spaces when a magnetic field is applied is a robust feature.

  18. Computation of energy states of hydrogenic quantum dot with two-electrons

    Science.gov (United States)

    Yakar, Y.; Özmen, A.; ćakır, B.

    2016-03-01

    In this study we have investigated the electronic structure of the hydrogenic quantum dot with two electrons inside an impenetrable potential surface. The energy eigenvalues and wavefunctions of the ground and excited states of spherical quantum dot have been calculated by using the Quantum Genetic Algorithm (QGA) and Hartree-Fock Roothaan (HFR) method, and the energies are investigated as a function of dot radius. The results show that as dot radius increases, the energy of quantum dot decreases.

  19. Non-steady-state transport of superthermal electrons in the plasmasphere

    Science.gov (United States)

    Khazanov, George V.; Liemohn, Michael W.; Gombosi, Tamas I.; Nagy, Andrew F.

    1993-01-01

    Numerical solutions to the time-dependent kinetic equation, which describes the transport of superthermal electrons in the splasmasphere between the two conjugate ionospheres, are presented. The model calculates the distribution function as a function of time, field-aligned distance, energy, and pitch-angle. The processes of refilling, depleting, and establishing steady-state conditions of superthermal electrons in the plasmasphere are discussed.

  20. Dynamics of the Chemistry of Electronically Excited Atoms in Defined Quantum States.

    Science.gov (United States)

    1978-05-01

    laser development . In essence, this research concerns itself with the elucidation of the role of electronic energy in affecting the chemistry or photochemistry of excited halogen atoms and molecules. While much is known about the dynamics of chemical and physical processes which are carried out on the lowest potential energy hypersurface correlating with reactants and products in their electronic ground state, relatively little is known about the dynamics of such phenomena as energy transfer and chemical reactivity on higher-lying potential

  1. Spin-Droplet State of an Interacting 2D Electron System

    OpenAIRE

    Teneh, N.; Kuntsevich, A. Yu.; Pudalov, V. M.; Reznikov, M.

    2012-01-01

    We report thermodynamic magnetization measurements of two-dimensional electrons in several high mobility Si metal-oxide-semiconductor field-effect transistors. We provide evidence for an easily polarizable electron state in a wide density range from insulating to deep into the metallic phase. The temperature and magnetic field dependence of the magnetization is consistent with the formation of large-spin droplets in the insulating phase. These droplets melt in the metallic phase with increasi...

  2. Ultracompact quantum splitter of degenerate photon pairs

    CERN Document Server

    He, Jiakun; Casas-Bedoya, Alvaro; Zhang, Yanbing; Xiong, Chunle; Eggleton, Benjamin J

    2015-01-01

    Integrated sources of indistinguishable photons have attracted a lot of attention because of their applications in quantum communication and optical quantum computing. Here, we demonstrate an ultra-compact quantum splitter for degenerate single photons based on a monolithic chip incorporating Sagnac loop and a micro-ring resonator with a footprint of 0.011 mm2, generating and deterministically splitting indistinguishable photon pairs using time-reversed Hong-Ou-Mandel interference. The ring resonator provides enhanced photon generation rate, and the Sagnac loop ensures the photons travel through equal path lengths and interfere with the correct phase to enable the reversed HOM effect to take place. In the experiment, we observed a HOM dip visibility of 94.5 +- 3.3 %, indicating the photons generated by the degenerate single photon source are in a suitable state for further integration with other components for quantum applications, such as controlled-NOT gates.

  3. Electronic transport characterization of silicon wafers by spatially resolved steady-state photocarrier radiometric imaging

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qian [Institute of Optics and Electronics, Chinese Academy of Sciences, P. O. Box 350, Shuangliu, Chengdu 610209 (China); University of the Chinese Academy of Sciences, Beijing 100039 (China); Li, Bincheng, E-mail: bcli@ioe.ac.cn [Institute of Optics and Electronics, Chinese Academy of Sciences, P. O. Box 350, Shuangliu, Chengdu 610209 (China); School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2015-09-28

    Spatially resolved steady-state photocarrier radiometric (PCR) imaging technique is developed to characterize the electronic transport properties of silicon wafers. Based on a nonlinear PCR theory, simulations are performed to investigate the effects of electronic transport parameters (the carrier lifetime, the carrier diffusion coefficient, and the front surface recombination velocity) on the steady-state PCR intensity profiles. The electronic transport parameters of an n-type silicon wafer are simultaneously determined by fitting the measured steady-state PCR intensity profiles to the three-dimensional nonlinear PCR model. The determined transport parameters are in good agreement with the results obtained by the conventional modulated PCR technique with multiple pump beam radii.

  4. Coherent states of an electron in a homogeneous constant magnetic field and the zero magnetic field limit

    Energy Technology Data Exchange (ETDEWEB)

    Varro, S.

    1984-06-01

    Coherent states of an electron embedded in a constant homogeneous magnetic field are constructed. The centres of the probability distributions belonging to these states gyrate along possible classical trajectories. Suitable packets of such coherent states are defined which reduce to properly normalised free electronic states in the zero magnetic field limit. A simple example is given to illustrate the dynamics of free electron localisation due to the presence of a magnetic field.

  5. Confined State and Electronic Transport in an Artificial Graphene-Based Tunnel Junction

    Institute of Scientific and Technical Information of China (English)

    袁建辉; 张建军; 曾奇军; 张俊佩; 成泽

    2011-01-01

    Artificial graphene structures embedded in semiconductors could open novel routes for studies of electron interactions in 1ow-dimensional systems. We propose a way to manipulate the transport properties of massless Dirac fermions in an artificial graphene-based tunnel junction. Velocity-modulation control of electron wave propagation in the different regions can be regarded as velocity barriers. Transmission probability of electron is affected profoundly by this velocity barrier. We find that there is no confinement for Dirac electron as the velocity ratio ζ is less than 1, but when the velocity ratio is larger than 1 the confined state appears in the continuum band. These localized Dirac electrons may lead to the decreasing of transmission probability.

  6. State-specific transport properties of partially ionized flows of electronically excited atomic gases

    Science.gov (United States)

    Istomin, V. A.; Kustova, E. V.

    2017-03-01

    State-to-state approach for theoretical study of transport properties in atomic gases with excited electronic degrees of freedom of both neutral and ionized species is developed. The dependence of atomic radius on the electronic configuration of excited atoms is taken into account in the transport algorithm. Different cutoff criteria for increasing atomic radius are discussed and the limits of applicability for these criteria are evaluated. The validity of a Slater-like model for the calculation of state-resolved transport coefficients in neutral and ionized atomic gases is shown. For ionized flows, a method of evaluation for effective cross-sections of resonant charge-transfer collisions is suggested. Accurate kinetic theory algorithms for modelling the state-specific transport properties are applied for the prediction of transport coefficients in shock heated flows. Based on the numerical observations, different distributions over electronic states behind the shock front are considered. For the Boltzmann-like distributions at temperatures greater than 14,000 K, an important effect of electronic excitation on the partial thermal conductivity and viscosity coefficients is found for both neutral and ionized atomic gases: increasing radius of excited atoms causes a strong decrease in these transport coefficients. Similarly, the presence of electronically excited states with increased atomic radii leads to reduced diffusion coefficients. Nevertheless the overall impact of increasing effective cross-sections on the transport properties just behind the shock front under hypersonic reentry conditions is found to be minor since the populations of high-lying electronic energy levels behind the shock waves are low.

  7. Statistical theory of relaxation of high-energy electrons in quantum Hall edge states

    Science.gov (United States)

    Lunde, Anders Mathias; Nigg, Simon E.

    2016-07-01

    We investigate theoretically the energy exchange between the electrons of two copropagating, out-of-equilibrium edge states with opposite spin polarization in the integer quantum Hall regime. A quantum dot tunnel coupled to one of the edge states locally injects electrons at high energy. Thereby a narrow peak in the energy distribution is created at high energy above the Fermi level. A second downstream quantum dot performs an energy-resolved measurement of the electronic distribution function. By varying the distance between the two dots, we are able to follow every step of the energy exchange and relaxation between the edge states, even analytically under certain conditions. In the absence of translational invariance along the edge, e.g., due to the presence of disorder, energy can be exchanged by non-momentum-conserving two-particle collisions. For weakly broken translational invariance, we show that the relaxation is described by coupled Fokker-Planck equations. From these we find that relaxation of the injected electrons can be understood statistically as a generalized drift-diffusion process in energy space for which we determine the drift velocity and the dynamical diffusion parameter. Finally, we provide a physically appealing picture in terms of individual edge-state heating as a result of the relaxation of the injected electrons.

  8. Evolution of electronic states in n-type copper oxide superconductor via electric double layer gating.

    Science.gov (United States)

    Jin, Kui; Hu, Wei; Zhu, Beiyi; Kim, Dohun; Yuan, Jie; Sun, Yujie; Xiang, Tao; Fuhrer, Michael S; Takeuchi, Ichiro; Greene, Richard L

    2016-01-01

    The occurrence of electrons and holes in n-type copper oxides has been achieved by chemical doping, pressure, and/or deoxygenation. However, the observed electronic properties are blurred by the concomitant effects such as change of lattice structure, disorder, etc. Here, we report on successful tuning the electronic band structure of n-type Pr2-xCexCuO4 (x = 0.15) ultrathin films, via the electric double layer transistor technique. Abnormal transport properties, such as multiple sign reversals of Hall resistivity in normal and mixed states, have been revealed within an electrostatic field in range of -2 V to + 2 V, as well as varying the temperature and magnetic field. In the mixed state, the intrinsic anomalous Hall conductivity invokes the contribution of both electron and hole-bands as well as the energy dependent density of states near the Fermi level. The two-band model can also describe the normal state transport properties well, whereas the carrier concentrations of electrons and holes are always enhanced or depressed simultaneously in electric fields. This is in contrast to the scenario of Fermi surface reconstruction by antiferromagnetism, where an anti-correlation is commonly expected.

  9. Determination of ground and excited state dipole moments via electronic Stark spectroscopy: 5-methoxyindole.

    Science.gov (United States)

    Wilke, Josefin; Wilke, Martin; Meerts, W Leo; Schmitt, Michael

    2016-01-28

    The dipole moments of the ground and lowest electronically excited singlet state of 5-methoxyindole have been determined by means of optical Stark spectroscopy in a molecular beam. The resulting spectra arise from a superposition of different field configurations, one with the static electric field almost parallel to the polarization of the exciting laser radiation, the other nearly perpendicular. Each field configuration leads to different intensities in the rovibronic spectrum. With an automated evolutionary algorithm approach, the spectra can be fit and the ratio of both field configurations can be determined. A simultaneous fit of two spectra with both field configurations improved the precision of the dipole moment determination by a factor of two. We find a reduction of the absolute dipole moment from 1.59(3) D to 1.14(6) D upon electronic excitation to the lowest electronically excited singlet state. At the same time, the dipole moment orientation rotates by 54(∘) showing the importance of the determination of the dipole moment components. The dipole moment in the electronic ground state can approximately be obtained from a vector addition of the indole and the methoxy group dipole moments. However, in the electronically excited state, vector addition completely fails to describe the observed dipole moment. Several reasons for this behavior are discussed.

  10. Evolution of electronic states in n-type copper oxide superconductor via electric double layer gating

    Science.gov (United States)

    Jin, Kui; Hu, Wei; Zhu, Beiyi; Kim, Dohun; Yuan, Jie; Sun, Yujie; Xiang, Tao; Fuhrer, Michael S.; Takeuchi, Ichiro; Greene, Richard. L.

    2016-01-01

    The occurrence of electrons and holes in n-type copper oxides has been achieved by chemical doping, pressure, and/or deoxygenation. However, the observed electronic properties are blurred by the concomitant effects such as change of lattice structure, disorder, etc. Here, we report on successful tuning the electronic band structure of n-type Pr2−xCexCuO4 (x = 0.15) ultrathin films, via the electric double layer transistor technique. Abnormal transport properties, such as multiple sign reversals of Hall resistivity in normal and mixed states, have been revealed within an electrostatic field in range of −2 V to + 2 V, as well as varying the temperature and magnetic field. In the mixed state, the intrinsic anomalous Hall conductivity invokes the contribution of both electron and hole-bands as well as the energy dependent density of states near the Fermi level. The two-band model can also describe the normal state transport properties well, whereas the carrier concentrations of electrons and holes are always enhanced or depressed simultaneously in electric fields. This is in contrast to the scenario of Fermi surface reconstruction by antiferromagnetism, where an anti-correlation is commonly expected. PMID:27221198

  11. The state-of-the-art of power electronics in Japan

    OpenAIRE

    Akagi, Hirofumi

    1998-01-01

    Since the late 1950s, power electronics has been developing by leaps and bounds without saturation to become the key technology essential to modern society and human life as well as to electrical engineering. This paper mainly focuses on the state-of-the-art of power electronics technology and its medium to high-power applications because the author cannot survey the whole spectrum of power electronics ranging from a 5 W switching regulator to a 2.8 GW high-voltage DC transmission system now ...

  12. Depletion of density of states near Fermi energy induced by disorder and electron correlation in alloys

    Science.gov (United States)

    Noh, Han-Jin; Nahm, Tschang-Uh; Kim, Jae-Young; Park, W.-G.; Oh, S.-J.; Hong, J.-P.; Kim, C.-O.

    2000-03-01

    We have performed high resolution photoemission study of substitutionally disordered alloys Cu-Pt, Cu-Pd, Cu-Ni, and Pd-Pt. The ratios between alloy spectra and pure metal spectra are found to have dips at the Fermi level when the residual resistivity is high and when rather strong repulsive electron-electron interaction is expected. This is in accordance with Altshuler and Aronov's model which predicts depletion of density of states at the Fermi level when both disorder and electron correlation are present.

  13. Strong-Field Tunneling from a Coherent Superposition of Electronic States

    Science.gov (United States)

    Fechner, Lutz; Camus, Nicolas; Ullrich, Joachim; Pfeifer, Thomas; Moshammer, Robert

    2014-05-01

    Laser-induced tunnel ionization from a coherent superposition of electronic states in Ar+ is studied in a kinematically complete experiment. Within a pump-probe scheme a spin-orbit wave packet is launched through the first ionization step from the neutral species. The multielectron coherent wave packet is probed as a function of time by the second pulse which ionizes the system to Ar++. By measuring delay-dependent electron momentum distributions we directly image the evolution of the nonstationary multielectron wave function. Comparing the results with simulations we test common assumptions about electron momentum distributions and the tunneling process itself.

  14. Angular Momentum-Phase Coherent State for an Electron in Uniform Magnetic Field

    Institute of Scientific and Technical Information of China (English)

    FAN Hong-Yi; FAN Yue

    2001-01-01

    Based on the newly constructed state |l, r》 [Fan et al., Chin. Phys. Lett. 16(1999)706], where l is the angular momentum quantum number and r denotes the electron's orbit radius in a uniform magnetic field, we propose a new angular momentum-phase coherent state by introducing a new operator A. A and A+ are annihilation and creation operators in the |l, r》 space, respectively. The coherent state is A's eigenket and possesses non-orthonormal and overcomplete properties. It is constructed on the certain superposition of zero-angular momentum states along the radius direction.

  15. Localized electronic states at grain boundaries on the surface of graphene and graphite

    Science.gov (United States)

    Luican-Mayer, Adina; Barrios-Vargas, Jose E.; Toft Falkenberg, Jesper; Autès, Gabriel; Cummings, Aron W.; Soriano, David; Li, Guohong; Brandbyge, Mads; Yazyev, Oleg V.; Roche, Stephan; Andrei, Eva Y.

    2016-09-01

    Recent advances in large-scale synthesis of graphene and other 2D materials have underscored the importance of local defects such as dislocations and grain boundaries (GBs), and especially their tendency to alter the electronic properties of the material. Understanding how the polycrystalline morphology affects the electronic properties is crucial for the development of applications such as flexible electronics, energy harvesting devices or sensors. We here report on atomic scale characterization of several GBs and on the structural-dependence of the localized electronic states in their vicinity. Using low temperature scanning tunneling microscopy and spectroscopy, together with tight binding and ab initio numerical simulations we explore GBs on the surface of graphite and elucidate the interconnection between the local density of states and their atomic structure. We show that the electronic fingerprints of these GBs consist of pronounced resonances which, depending on the relative orientation of the adjacent crystallites, appear either on the electron side of the spectrum or as an electron-hole symmetric doublet close to the charge neutrality point. These two types of spectral features will impact very differently the transport properties allowing, in the asymmetric case to introduce transport anisotropy which could be utilized to design novel growth and fabrication strategies to control device performance.

  16. [Age related macular degeneration].

    Science.gov (United States)

    Sayen, Alexandra; Hubert, Isabelle; Berrod, Jean-Paul

    2011-02-01

    Age-related macular degeneration (ARMD) is a multifactorial disease caused by a combination of genetic and environmental factors. It is the first cause of blindness in patients over 50 in the western world. The disease has been traditionally classified into early and late stages with dry (atrophic) and wet (neovascular) forms: neovascular form is characterized by new blood vessels development under the macula (choroidal neovascularisation) which lead to a rapid decline of vision associated with metamorphopsia and requiring an urgent ophtalmological examination. Optical coherence tomography is now one of the most important part of the examination for diagnosis and treatment. Patient with age related maculopathy should consider taking a dietary supplement such that used in AREDS. The treatment of the wet ARMD has largely beneficied since year 2006 of anti-VEGF (vascular endothelial growth factor) molecules such as ranibizumab or bevacizumab given as repeated intravitreal injections. A systematic follow up each 4 to 8 week in required for several years. There is no effective treatment at the moment for dry AMD. For patients with binocular visual acuity under 60/200 rehabilitation includes low vision specialist, vision aids and psychological support.

  17. R-matrix calculation of differential cross sections for low-energy electron collisions with ground and electronically excited state O2 molecules

    CERN Document Server

    Tashiro, M; Tennyson, J; Tashiro, Motomichi; Morokuma, Keiji; Tennyson, Jonathan

    2006-01-01

    Differential cross sections for electron collisions with the O$_2$ molecule in its ground ${X}^{3}\\Sigma_g^-$ state, as well as excited ${a}^{1}\\Delta_g$ and ${b}^{1}\\Sigma_g^+$ states are calculated. As previously, the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals is employed. In additions to elastic scattering of electron with the O$_2$ ${X}^{3}\\Sigma_g^-$, ${a}^{1}\\Delta_g$ and ${b}^{1}\\Sigma_g^+$ states, electron impact excitation from the ${X}^{3}\\Sigma_g^-$ state to the ${a}^{1}\\Delta_g$ and ${b}^{1}\\Sigma_g^+$ states as well as '6 eV states' of ${c}^{1}\\Sigma_u^{-}$, ${A'}^{3}\\Delta_u$ and ${A}^{3}\\Sigma_u^{+}$ states is studied. Differential cross sections for excitation to the '6 eV states' have not been calculated previously. Electron impact excitation to the ${b}^{1}\\Sigma_g^+$ state from the metastable ${a}^{1}\\Delta_g$ state is also studied. For electron impact excitation from the O$_2$ ${X}^{3}\\Sigma_g^-$ state to the ${b}^{1}\\Sigma_g^+$ state, our results...

  18. Electron correlations in single-electron capture into any state of fast projectiles from heliumlike atomic systems

    Science.gov (United States)

    Mančev, Ivan; Milojević, Nenad; Belkić, Dževad

    2013-11-01

    State-selective and total single-electron capture cross sections in fast collisions of a bare projectile with a heliumlike target are examined in the four-body formalism. A special emphasis is given to a proper inclusion of dynamic electron-electron correlation effects. For this purpose, the post form of the four-body boundary-corrected first Born approximation (CB1-4B) is utilized. With regard to our related previous study, where the prior version has been considered, in the present work an extensive analytical study of the post-transition amplitude for electron capture into the arbitrary final states nflfmf of the projectile is carried out. The post-transition amplitude for single charge exchange encompassing symmetric and asymmetric collisions is derived in terms of five-dimensional integrals over real variables. The dielectronic interaction V12=1/r12≡1/|r⃗1-r⃗2| explicitly appears in the perturbation potential Vf of the post-transition probability amplitude Tif+, such that the CB1-4B method can provide information about the relative significance of the dynamic interelectron correlation in the collisions under study. An illustrative computation is performed involving state-selective and total single capture cross sections for the p-He collisions at intermediate and high impact energies. The so-called post-prior discrepancy, which plagues almost all the existing distorted wave approximations, is presently shown to be practically nonexistent in the CB1-4B method. The validity of our findings is critically assessed in comparisons with the available experimental data for both state-selective and total cross sections summed over all the discrete energy levels of the hydrogenlike atom formed with the projectile. Overall, excellent performance of the CB1-4B method is recorded, thus robustly establishing this formalism as the leading first-order description of high-energy single charge exchange, which is a collision of paramount theoretical and practical

  19. A theoretical study of electronic excited states of photosynthetic reaction center in Rhodopseudomonas viridis

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The electronic singlet vertical excited states of photosynthetic reaction center (PSRC) in Rhodopseudomonas (Rps.) viridis were investigated by ZINDO and INDO/S methods. The effects of the interactions of pigment-pigment and pigment-protein on the electronic excitations were examined. The calculation results showed that the interactions of pigment-pigment and pigment-protein play an important role in reasonably assigning the experimental absorption and circular dichroism (CD) spectra of PSRC in Rps. virids. By comparing the theoretically computed excited states with the experimental absorption and CD spectra, satisfactory assignments of the experimental spectroscopic peaks were achieved.

  20. Optical detection and ionization of donors in specific electronic and nuclear spin States.

    Science.gov (United States)

    Yang, A; Steger, M; Karaiskaj, D; Thewalt, M L W; Cardona, M; Itoh, K M; Riemann, H; Abrosimov, N V; Churbanov, M F; Gusev, A V; Bulanov, A D; Kaliteevskii, A K; Godisov, O N; Becker, P; Pohl, H-J; Ager, J W; Haller, E E

    2006-12-01

    We resolve the remarkably sharp bound exciton transitions of highly enriched 28Si using a single-frequency laser and photoluminescence excitation spectroscopy, as well as photocurrent spectroscopy. Well-resolved doublets in the spectrum of the 31P donor reflect the hyperfine coupling of the electronic and nuclear donor spins. The optical detection of the nuclear spin state, and selective pumping and ionization of donors in specific electronic and nuclear spin states, suggests a number of new possibilities which could be useful for the realization of silicon-based quantum computers.

  1. High-quality single-crystal growth and unique electronic states in cerium and uranium compounds

    Science.gov (United States)

    Onuki, Yoshichika; Settai, Rikio; Sugiyama, Kiyohiro; Inada, Yoshihiko; Takeuchi, Tetsuya; Haga, Yoshinori; Yamamoto, Etsuji; Harima, Hisatomo; Yamagami, Hiroshi

    2007-03-01

    We have grown many kinds of high-quality single crystals of cerium and uranium compounds and studied the Fermi surface properties via the de Haas-van Alphen experiments and energy band calculations. The quasi-two-dimensional electronic states are clarified in some compounds such as USb2, CeCoIn5, UPtGa5 and most likely UIr. In a ferromagnet CeRh3B2, we have found unique electronic states with quasi-one-dimensional character.

  2. Special Issue of Solid-State Electronics, dedicated to EUROSOI-ULIS 2016

    Science.gov (United States)

    Sverdlov, Viktor; Selberherr, Siegfried

    2017-02-01

    The current special issue of Solid-State Electronics includes 29 extended papers presented at the 2016 Second Joint International EUROSOI Workshop and International Conference on Ultimate Integration on Silicon (EUROSOI-ULIS 2016) held in Wien, Austria, on January 25-27, 2016. The papers entering to the special issue have been selected by the EUROSOI-ULIS 2016 Technical Program Committee based on the excellence of abstracts submitted and presentations delivered at the conference. In order to comply with the high standards of Solid-State Electronics the manuscripts went through the standard reviewing procedure.

  3. Modeling of the Equation of State for 0 < ρ/ρ0 < 1010

    Science.gov (United States)

    Prut, V. V.

    2016-09-01

    An approximation of the equation of state of matter in nonrelativistic and relativistic regions is considered. The cold component is determined in the limit v → 0 by the properties of an ideal homogeneous degenerate relativistic electron gas, and under normal conditions, by four experimental parameters: the specific volume, the binding energy, the bulk compression modulus, and the parameter -(∂lnB/∂lnv). Results are confirmed and illustrated by the experimental equation of state for iron in the region up to p ≈ 3 Mbar. A comparison of the model equation of state and the classical equation of state of an ideal homogeneous degenerate electron gas is given.

  4. State-averaged Monte Carlo configuration interaction applied to electronically excited states

    CERN Document Server

    Coe, J P

    2014-01-01

    We introduce state-averaging into the method of Monte Carlo configuration interaction (SA-MCCI) to allow the stable and efficient calculation of excited states. We show that excited potential curves for H$_{3}$, including a crossing with the ground state, can be accurately reproduced using a small fraction of the FCI space. A recently introduced error measure for potential curves [J. P. Coe and M. J. Paterson, J. Chem. Phys., 137, 204108 (2012)] is shown to also be a fair approach when considering potential curves for multiple states. We demonstrate that potential curves for LiF using SA-MCCI agree well with the FCI results and the avoided crossing occurs correctly. The seam of conical intersections for CH$_{2}$ found by Yarkony [J. Chem. Phys., 104, 2932 (1996)] is used as a test for SA-MCCI and we compare potential curves from SA-MCCI with FCI results for this system for the first three triplet states. We then demonstrate the improvement from using SA-MCCI on the dipole of the $2$ $^{1}A_{1}$ state of carbo...

  5. Forbidden Electronic Transitions between the Singlet Ground State and the Triplet Excited State of Pt(II) Complexes.

    Science.gov (United States)

    Zheng, Greg Y.; Rillema, D. Paul; DePriest, Jeff; Woods, Clifton

    1998-07-13

    Direct access to the triplet emitting state from the ground state is observed for Pt(II) complexes containing heterocyclic (CwedgeC', CwedgeN, NwedgeN') and bis(diphenylphosphino)alkane (PwedgeP') ligands. Extinction coefficients for such transitions are in the range 4-25 M(-)(1) cm(-)(1). Emission quantum yields resulting from singlet-to-triplet excitation are as high as 61-77 times the emission quantum yields resulting from singlet-to-singlet excitation at 296 K. The intersystem crossing quantum yield from the singlet excited state to triplet emitting state is lower than 2% at 296 K but is greatly enhanced at 77 K. The forbidden electronic transition observed for Pt(II) complexes is attributed to result from spin-orbit coupling due to the presence of Pt(II) in the skeleton structure. The importance of excitation spectra on the computation of emission quantum yields is discussed.

  6. Helical edge states and fractional quantum Hall effect in a graphene electron-hole bilayer.

    Science.gov (United States)

    Sanchez-Yamagishi, Javier D; Luo, Jason Y; Young, Andrea F; Hunt, Benjamin M; Watanabe, Kenji; Taniguchi, Takashi; Ashoori, Raymond C; Jarillo-Herrero, Pablo

    2017-02-01

    Helical 1D electronic systems are a promising route towards realizing circuits of topological quantum states that exhibit non-Abelian statistics. Here, we demonstrate a versatile platform to realize 1D systems made by combining quantum Hall (QH) edge states of opposite chiralities in a graphene electron-hole bilayer at moderate magnetic fields. Using this approach, we engineer helical 1D edge conductors where the counterpropagating modes are localized in separate electron and hole layers by a tunable electric field. These helical conductors exhibit strong non-local transport signals and suppressed backscattering due to the opposite spin polarizations of the counterpropagating modes. Unlike other approaches used for realizing helical states, the graphene electron-hole bilayer can be used to build new 1D systems incorporating fractional edge states. Indeed, we are able to tune the bilayer devices into a regime hosting fractional and integer edge states of opposite chiralities, paving the way towards 1D helical conductors with fractional quantum statistics.

  7. Chemical-state imaging of Li using scanning Auger electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ishida, Nobuyuki, E-mail: ISHIDA.Nobuyuki@nims.go.jp [Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Fujita, Daisuke [Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Advanced Nanocharacterization Unit, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan)

    2013-02-15

    Highlights: •Scanning Auger electron microscopy is used to image chemical states of Li. •The combined use of AES and EELS signals for the elemental mapping is powerful. •Distribution corresponding to metallic and oxidized states of Li can be imaged. -- Abstract: The demand for measurement tools to detect Li with high spatial resolution and precise chemical sensitivity is increasing with the spread of lithium-ion batteries (LIBs) for use in a wide range of applications. In this work, scanning Auger electron microscopy (SAM) is used to image chemical states of a partially oxidized Li surface on the basis of the Auger electron spectroscopy (AES) and electron energy loss spectroscopy (EELS) data obtained during an oxidation process of a metal Li. We show that distribution of metallic and oxidized states of Li is clearly imaged by mapping the intensity of the corresponding AES and EELS peaks. Furthermore, a tiny difference in the extent of oxidation can be distinguished by comparing the elemental map of an AES peak with that of an EELS peak owing to the different behaviors of those signals to the chemical states of Li.

  8. State laws prohibiting sales to minors and indoor use of electronic nicotine delivery systems--United States, November 2014.

    Science.gov (United States)

    Marynak, Kristy; Holmes, Carissa Baker; King, Brian A; Promoff, Gabbi; Bunnell, Rebecca; McAfee, Timothy

    2014-12-12

    Electronic nicotine delivery systems (ENDS), including electronic cigarettes (e-cigarettes) and other devices such as electronic hookahs, electronic cigars, and vape pens, are battery-powered devices capable of delivering aerosolized nicotine and additives to the user. Experimentation with and current use of e-cigarettes has risen sharply among youths and adults in the United States. Youth access to and use of ENDS is of particular concern given the potential adverse effects of nicotine on adolescent brain development. Additionally, ENDS use in public indoor areas might passively expose bystanders (e.g., children, pregnant women, and other nontobacco users) to nicotine and other potentially harmful constituents. ENDS use could have the potential to renormalize tobacco use and complicate enforcement of smoke-free policies. State governments can regulate the sales of ENDS and their use in indoor areas where nonusers might be involuntarily exposed to secondhand aerosol. To learn the current status of state laws regulating the sales and use of ENDS, CDC assessed state laws that prohibit ENDS sales to minors and laws that include ENDS use in conventional smoking prohibitions in indoor areas of private worksites, restaurants, and bars. Findings indicate that as of November 30, 2014, 40 states prohibited ENDS sales to minors, but only three states prohibited ENDS use in private worksites, restaurants, and bars. Of the 40 states that prohibited ENDS sales to minors, 21 did not prohibit ENDS use or conventional smoking in private worksites, restaurants, and bars. Three states had no statewide laws prohibiting ENDS sales to minors and no statewide laws prohibiting ENDS use or conventional smoking in private worksites, restaurants, and bars. According to the Surgeon General, ENDS have the potential for public health harm or public health benefit. The possibility of public health benefit from ENDS could arise only if 1) current smokers use these devices to switch completely

  9. Massless states and negative mass states of the coupled electron-positron system with completely symmetric representation of the particles

    CERN Document Server

    Agafonov, A I

    2016-01-01

    We argue that the free electron and positron can be considered as different, independent particles, each of which is characterized by the complete set of the Dirac plane waves. This completely symmetric representation of the particles makes it necessary to choose another solution of the Dirac equation for the free particle propagator as compared to that currently used in QED. Studying the Bethe-Salpeter equation in the ladder approximation with these free propagators, two new branches of electron-positron bound states which represent the composite bosons, have been found. The first branch corresponds to the negative mass boson whose mass is approximately equal to $-2m$ . These bound states have certain symmetry with respect to the Ps states. For the radiative transition from the Ps states into the negative mass boson states the total energy of the generated gamma quanta should be approximately equal to $4m$. The second branch describes the massless bosons which have been found for the real coupling equal to t...

  10. Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materials.

    Science.gov (United States)

    Bellinger, Daniel; Settels, Volker; Liu, Wenlan; Fink, Reinhold F; Engels, Bernd

    2016-06-30

    To tune the efficiency of organic semiconductor devices it is important to understand limiting factors as trapping mechanisms for excitons or charges. An understanding of such mechanisms deserves an accurate description of the involved electronical states in the given environment. In this study, we investigate how a polarizable surrounding influences the relative positions of electronically excited states of dimers of different perylene dyes. Polarization effects are particularly interesting for these systems, because gas phase computations predict that the CT states lie slightly above the corresponding Frenkel states. A polarizable environment may change this energy order because CT states are thought to be more sensitive to a polarizable surrounding than Frenkel states. A first insight we got via a TD-HF approach in combination with a polarizable continuum model (PCM). These give limited insights because TD-HF overestimates excitation energies of CT states. However, SCS-CC2 approaches, which are sufficiently accurate, cannot easily be used in combination with continuum solvent models. Hence, we developed two approaches to combine gas phase SCS-CC2 results with solvent effects based on TD-HF computations. Their accuracies were finally checked via ADC(2)//COSMO computations. The results show that for perylene dyes a polarizable surrounding alone does not influence the energetic ordering of CT and Frenkel states. Variations in the energy order of the states only result from nuclear relaxation effects after the excitation process. © 2016 Wiley Periodicals, Inc.

  11. Investigation on the electronically excited state properties of multiwalled carbon nanotube (MDDA) in solution

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Sub-microsecond time-resolved absorption spectroscopy has been used to study the electronically excited state behavior of soluble multiwalled carbon nanotube (MWNTsCON((CH2)9- CH3)2, denoted as MDDA) in chloroform, toluene and cyclohexane. Following pulsed photo-excitation of MDDA at 355 nm, three major spectral components are clearly identified with the help of global analysis carried out over 7 representative kinetics curves from 450 to 700 nm. The solvent dependence of decay associated difference spectra (DADS) and the corresponding lifetimes help to assign these transient species to singlet state (S1), triplet state (T1) and charge-separated state (CS), respectively. Preliminary discussion had been made to explore the involved photophysical and electron transfer processes.

  12. Degenerate pseudo-Riemannian metrics

    CERN Document Server

    Hervik, Sigbjorn; Yamamoto, Kei

    2014-01-01

    In this paper we study pseudo-Riemannian spaces with a degenerate curvature structure i.e. there exists a continuous family of metrics having identical polynomial curvature invariants. We approach this problem by utilising an idea coming from invariant theory. This involves the existence of a boost, the existence of this boost is assumed to extend to a neighbourhood. This approach proves to be very fruitful: It produces a class of metrics containing all known examples of degenerate metrics. To date, only Kundt and Walker metrics have been given, however, our study gives a plethora of examples showing that degenerate metrics extend beyond the Kundt and Walker examples. The approach also gives a useful criterion for a metric to be degenerate. Specifically, we use this to study the subclass of VSI and CSI metrics (i.e., spaces where polynomial curvature invariants are all vanishing or constants, respectively).

  13. Age-Related Macular Degeneration

    Science.gov (United States)

    ... version of this page please turn Javascript on. Age-related Macular Degeneration About AMD Click for more ... a leading cause of vision loss among people age 60 and older. It causes damage to the ...

  14. SF-6D utility values for the better- and worse-seeing eye for health states based on the Snellen equivalent in patients with age-related macular degeneration.

    Science.gov (United States)

    Visser, Martijn S; Amarakoon, Sankha; Missotten, Tom; Timman, Reinier; Busschbach, Jan J

    2017-01-01

    Economic evaluations in wet age-related macular degeneration (ARMD) is hampered as often utility values for solely one eye are used, mostly the better-seeing eye (BSE). Moreover, frequently chosen methods rely on patient values and/or disease specific measures, while economic evaluations prefer generic quality of life (QoL) measures based on societal preferences. The generic QoL utility instrument EQ-5D has shown to be insensitive for differences in visual acuity. The aim of this study was therefore to provide societal utility values, using the generic SF-6D, for health states acknowledging both BSE and worse-seeing eye (WSE). SF-6D utility values of 191 ARMD patients (≥65 years) with 153 follow-up measures at 1 year were used to fill health states defined by the combination of BSE and WSE using Snellen equivalents; no visual loss (≥20/40), mild-moderate (20/200) and severe (≤20/200). QoL utilities were estimated for the SF-6D, ranging from 0.740 for ARMD patients without visual loss to 0.684 for patients with a combination of mild-moderate visual loss in their BSE and severe visual loss in their WSE. Societal utility values are provided for ARMD patients using the generic QoL instrument SF-6D for visual acuity health states based on both BSE and WSE. The range of the values is smaller than previous elicited utilities with the disease-specific VisQoL. Besides, the utility values are placed on a more realistic position on the utility scale, and SF-6D utility values avoid the problem associated with the interpretation of disease-specific utility values.

  15. SF-6D utility values for the better- and worse-seeing eye for health states based on the Snellen equivalent in patients with age-related macular degeneration

    Science.gov (United States)

    Visser, Martijn S.; Amarakoon, Sankha; Missotten, Tom; Timman, Reinier; Busschbach, Jan J.

    2017-01-01

    Objective Economic evaluations in wet age-related macular degeneration (ARMD) is hampered as often utility values for solely one eye are used, mostly the better-seeing eye (BSE). Moreover, frequently chosen methods rely on patient values and/or disease specific measures, while economic evaluations prefer generic quality of life (QoL) measures based on societal preferences. The generic QoL utility instrument EQ-5D has shown to be insensitive for differences in visual acuity. The aim of this study was therefore to provide societal utility values, using the generic SF-6D, for health states acknowledging both BSE and worse-seeing eye (WSE). Methods SF-6D utility values of 191 ARMD patients (≥65 years) with 153 follow-up measures at 1 year were used to fill health states defined by the combination of BSE and WSE using Snellen equivalents; no visual loss (≥20/40), mild-moderate (20/200) and severe (≤20/200). Results QoL utilities were estimated for the SF-6D, ranging from 0.740 for ARMD patients without visual loss to 0.684 for patients with a combination of mild-moderate visual loss in their BSE and severe visual loss in their WSE. Conclusion Societal utility values are provided for ARMD patients using the generic QoL instrument SF-6D for visual acuity health states based on both BSE and WSE. The range of the values is smaller than previous elicited utilities with the disease-specific VisQoL. Besides, the utility values are placed on a more realistic position on the utility scale, and SF-6D utility values avoid the problem associated with the interpretation of disease-specific utility values. PMID:28225799

  16. Multi-Center Electronic Structure Calculations for Plasma Equation of State

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, B G; Johnson, D D; Alam, A

    2010-12-14

    We report on an approach for computing electronic structure utilizing solid-state multi-center scattering techniques, but generalized to finite temperatures to model plasmas. This approach has the advantage of handling mixtures at a fundamental level without the imposition of ad hoc continuum lowering models, and incorporates bonding and charge exchange, as well as multi-center effects in the calculation of the continuum density of states.

  17. Tunable hybridization of electronic states of graphene and a metal surface

    OpenAIRE

    Gruneis, Alexander; Vyalikh, Denis

    2008-01-01

    We present an approach to monitor and control the strength of the hybridization between electronic states of graphene and metal surfaces. Inspecting the distribution of the $\\pi$ band in a high-quality graphene layer synthesized on Ni(111) by angle-resolved photoemission, we observe a new "kink" feature which indicates a strong hybridization between $\\pi$ and \\textit{d} states of graphene and nickel, respectively. Upon deposition and gradual intercalation of potassium atoms into the graphene/...

  18. Electronic transition dipole moment and radiative lifetime calculations of sodium dimer ion-pair states.

    Science.gov (United States)

    Sanli, Aydin; Beser, Bediha; Edwardson, John R; Magnier, Sylvie; Ahmed, Ergin H; Marjatta Lyyra, A

    2015-09-14

    We report here ab initio calculated electronic transition dipole moments for the sodium dimer ion pair states of (1)Σg (+) symmetry. They vary strongly as a function of internuclear distance because of the effect of the Na(+) + Na(-) ion pair potential, which also causes the formation of additional wells and shoulders in the molecular potential energy curves. We also present a computational study of the transition dipole moment matrix elements and lifetimes for these ion-pair states.

  19. Effect of Quantum Point Contact Measurement on Electron Spin State in Quantum Dots

    Institute of Scientific and Technical Information of China (English)

    ZHU Fei-Yun; TU Tao; HAO Xiao-Jie; GUO Guang-Can; GUO Guo-Ping

    2009-01-01

    We study the time evolution of two electron spin states in a double quantum-dot system, which includes a nearby quantum point contact (QPC) as a measurement device. We find that the QPC measurement induced decoherence is in the microsecond timescale. We also find that the enhanced QPC measurement will trap the system in its initial spin states, which is consistent with the quantum Zeno effect.

  20. In Vivo Cytogenotoxicity of Electronic Waste Leachate from Iloabuchi Electronic Market, Diobu, Rivers State, Nigeria on Allium Cepa

    Directory of Open Access Journals (Sweden)

    Bolaji Babatunde

    2015-06-01

    Full Text Available The human and environmental impact of electronic waste is increasing due to its careless disposal. Cytogenotoxicity of electronic waste from Iloabuchi electronic market, Diobu, Rivers State was investigated using the Allium cepa bioassay comprised of the root elongation and chromosome aberration tests. Leachate samples of e-waste analysed were above maximum permissible limits. Toxicity to root growth of A. cepa was evaluated at concentrations of 5%, 10%, 25%, 50%, and 100% showed root growth inhibition at all concentrations of the samples compared to the control and root growth inhibition was concentration dependent. An effective concentration (EC50 at which root growth amounted to 50 % of control for the sample was 37.5%. Various morphological defects of the onion roots were observed including short, crochet roots, C-tumor roots and severe toxic effects where no growth was observed. In the in vivo genotoxity assay, all samples lowered the frequency of mitotic cells in the meristematic region of the roots at statistically significant levels (P < 0.05 compared to the control and mitotic inhibition was also concentration dependent. There was significant induction of aberrations at all concentrations tested compared to control. The high metal content of the e-waste leachate may be responsible for observed cytotoxicity in A. cepa roots cells.

  1. On the degenerate phase boundaries

    CERN Document Server

    Ma, Y; Kuang, Z; Ma, Yongge; Liang, Canbin; Kuang, Zhiquan

    1999-01-01

    The structure of the phase boundary between degenerate and non-degenerate regions in Ashtekar's gravity has been studied by Bengtsson and Jacobson who conjectured that the "phase boundary" should always be null. In this paper, we reformulate the reparametrization procedure in the mapping language and distinguish a phase boundary from its image. It is shown that the image has to be null, while the nullness of the phase boundary requries more suitable criterion.

  2. Extensive ab initio study of the electronic states of BSe radical including spin-orbit coupling

    Science.gov (United States)

    Liu, Siyuan; Zhai, Hongsheng; Liu, Yufang

    2016-06-01

    The internally contracted multi-reference configuration interaction method (MRCI) with Davidson modification and the Douglas-Kroll scalar relativistic correction has been used to calculate the BSe molecule at the level of aug-cc-pV5Z basis set. The calculated electronic states, including 9 doublet and 6 quartet Λ-S states, are correlated to the dissociation limit of B(2Pu) + Se(3Pg) and B(2Pu) + Se(1Dg). The Spin-orbit coupling (SOC) interaction is taken into account via the state interaction approach with the full Breit-Pauli Hamiltonian operator, which causes the entire 15 Λ-S states to split into 32 Ω states. This is the first time that the spin-orbit coupling calculation has been carried out on BSe. The potential energy curves of the Λ-S and Ω electronic states are depicted with the aid of the avoided crossing rule between electronic states of the same symmetry. The spectroscopic constants of the bound Λ-S and Ω states were determined, which are in good agreement with the experimental data. The transition dipole moments (TDMs) and the Franck-Condon factors (FCs) of the transitions from the low-lying bound Ω states A2Π(I)3/2, B2Π(I)1/2 and C2Δ(I)3/2 to the ground state X2Σ+1/2 have also been presented. Based on the previous calculations, the radiative lifetimes of the A2Π(I)3/2, B2Π(I)1/2 and C2Δ(I)3/2 were evaluated.

  3. Intermolecular electron transfer from naphthalene derivatives in the higher triplet excited states.

    Science.gov (United States)

    Sakamoto, Masanori; Cai, Xichen; Hara, Michihiro; Fujitsuka, Mamoru; Majima, Tetsuro

    2004-08-11

    Intermolecular electron transfer (ELT) from a series of naphthalene derivatives (NpD) in the higher triplet excited states (T(n)) to carbon tetrachloride (CCl(4)) in Ar-saturated acetonitrile was observed using the two-color two-laser flash photolysis method. The ELT efficiency depended on the driving force of ELT. Since the ELT from the T(n) state occurred competitively with the internal conversion (IC, T(n) --> T(1)) and the triplet energy transfer (ENT), the ELT became apparent only when sufficient free energy change of ELT was attained. On the other hand, ELT from the T(1) state was not observed, although ELT from the T(1) state with sufficiently long lifetime has a slightly exothermic driving force. The fast ELT from the T(n) state and lack of the reactivity of the T(1) state were explained well by the "sticky" dissociative electron-transfer model based on one-electron reductive attachment to CCl(4) leading to the C-Cl bond cleavage.

  4. State and Local Chronic Disease Surveillance Using Electronic Health Record Systems.

    Science.gov (United States)

    Klompas, Michael; Cocoros, Noelle M; Menchaca, John T; Erani, Diana; Hafer, Ellen; Herrick, Brian; Josephson, Mark; Lee, Michael; Payne Weiss, Michelle D; Zambarano, Bob; Eberhardt, Karen R; Malenfant, Jessica; Nasuti, Laura; Land, Thomas

    2017-09-01

    To assess the feasibility of chronic disease surveillance using distributed analysis of electronic health records and to compare results with Behavioral Risk Factor Surveillance System (BRFSS) state and small-area estimates. We queried the electronic health records of 3 independent Massachusetts-based practice groups using a distributed analysis tool called MDPHnet to measure the prevalence of diabetes, asthma, smoking, hypertension, and obesity in adults for the state and 13 cities. We adjusted observed rates for age, gender, and race/ethnicity relative to census data and compared them with BRFSS state and small-area estimates. The MDPHnet population under surveillance included 1 073 545 adults (21.8% of the state adult population). MDPHnet and BRFSS state-level estimates were similar: 9.4% versus 9.7% for diabetes, 10.0% versus 12.0% for asthma, 13.5% versus 14.7% for smoking, 26.3% versus 29.6% for hypertension, and 22.8% versus 23.8% for obesity. Correlation coefficients for MDPHnet versus BRFSS small-area estimates ranged from 0.890 for diabetes to 0.646 for obesity. Chronic disease surveillance using electronic health record data is feasible and generates estimates comparable with BRFSS state and small-area estimates.

  5. Analysis of two-orbital correlations in wave functions restricted to electron-pair states

    Science.gov (United States)

    Boguslawski, Katharina; Tecmer, Paweł; Legeza, Örs

    2016-10-01

    Wave functions constructed from electron-pair states can accurately model strong electron correlation effects and are promising approaches especially for larger many-body systems. In this article, we analyze the nature and the type of electron correlation effects that can be captured by wave functions restricted to electron-pair states. We focus on the pair-coupled-cluster doubles (pCCD) ansatz also called the antisymmetric product of the 1-reference orbital geminal (AP1roG) method, combined with an orbital optimization protocol presented in Boguslawski et al. [Phys. Rev. B 89, 201106(R) (2014)], 10.1103/PhysRevB.89.201106, whose performance is assessed against electronic structures obtained form density-matrix renormalization-group reference data. Our numerical analysis covers model systems for strong correlation: the one-dimensional Hubbard model with a periodic boundary condition as well as metallic and molecular hydrogen rings. Specifically, the accuracy of pCCD/AP1roG is benchmarked using the single-orbital entropy, the orbital-pair mutual information, as well as the eigenvalue spectrum of the one-orbital and two-orbital reduced density matrices. Our study indicates that contributions from singly occupied states become important in the strong correlation regime which highlights the limitations of the pCCD/AP1roG method. Furthermore, we examine the effect of orbital rotations within the pCCD/AP1roG model on correlations between orbital pairs.

  6. Solid effect in the electron spin dressed state: A new approach for dynamic nuclear polarization

    Science.gov (United States)

    Weis, V.; Bennati, M.; Rosay, M.; Griffin, R. G.

    2000-10-01

    We describe a new type of solid effect for dynamic nuclear polarization (DNP) that is based on simultaneous, near resonant microwave (mw) and radio frequency (rf) irradiation of a coupled electron nuclear spin system. The interaction of the electron spin with the mw field is treated as an electron spin dressed state. In contrast to the customary laboratory frame solid effect, it is possible to obtain nuclear polarization with the dressed state solid effect (DSSE) even in the absence of nonsecular hyperfine coupling. Efficient, selective excitation of dressed state transitions generates nuclear polarization in the nuclear laboratory frame on a time scale of tens of μs, depending on the strength of the electron-nuclear coupling, the mw and rf offset and field strength. The experiment employs both pulsed mw and rf irradiation at a repetition rate comparable to T1e-1, where T1e is the electronic spin lattice relaxation time. The DSSE is demonstrated on a perdeuterated BDPA radical in a protonated matrix of polystyrene.

  7. Angular momentum distributions of Rydberg state electrons of Be-like sulfur produced through foil penetration

    CERN Document Server

    Imai, M; Kitazawa, S; Komaki, K; Kawatsura, K; Shibata, H; Tawara, H; Azuma, T; Kanai, Y; Yamazaki, Y

    2002-01-01

    Spectra for Coster-Kronig (C-K) transition 1s sup 2 2p( sup 2 P sub 3 sub / sub 2)9l->1s sup 2 2s( sup 2 S sub 1 sub / sub 2)epsilon l sup ' of Be-like S sup 1 sup 2 sup + ions produced following penetration of 2.5 MeV/u S sup q sup + ions (q=7, 10, 12, 13) through C-foil targets of various thickness (1-6.9 mu g/cm sup 2) have been probed using zero-degree electron spectroscopy. It has been found that in collisions for S sup q sup + (q=7, 10) ion incidence, in which the C-K electrons originate from the projectile bound electrons, a fraction of the angular momentum l=1 of the Rydberg state decreases, and fractions of higher (l>=2) angular momenta increase, while the total intensity of the C-K electrons grows, as target foil thickness increases. The electron spectra for S sup q sup + (q=13) incident ions, in which the autoionizing Be-like state is preferably formed by electron capture from the target continuum upon or near the exiting surface, do not change in l-distribution or intensity. The shift to higher l ...

  8. Conceptual foundations of schizophrenia: I. Degeneration.

    Science.gov (United States)

    Barrett, R J

    1998-10-01

    This is the first of two papers that aim to identify some of the institutional processes of 19th century European psychiatry, and some prevailing cultural themes of that era that played a role in shaping the development of schizophrenia as a disease concept. Three areas of psychiatric history are examined: the first is concerned with the key figures who coined the concept of dementia praecox; the second with the rise of the asylum; and the third is to do with the ideology of 19th century psychiatric science and its relationship to a broader intellectual milieu. These three literatures are examined for common themes. The theme of degeneration is evident in all three literatures, and denotes both a biological process (neuro-degeneration) and a moral state (degeneracy). The idea of degeneration, a pervasive cultural theme of the 19th century, dominated psychiatric thinking long before schizophrenia was developed as a diagnostic category. It contributed to the ideational form-work that gave foundation, structure and shape to the concept of schizophrenia.

  9. Elements of solid state electronics based on soi-structures and si whiskers for cryogenic temperatures

    Directory of Open Access Journals (Sweden)

    Druzhinin A. A.

    2014-12-01

    Full Text Available The paper presents the study results of electrical properties of polycrystalline silicon films in silicon-on-insulator structures and Si whiskers in the temperature range of 4,2—70 K obtained by impedance measurements in the frequency range from 10 Hz to 250 kHz and the possibility of their use in solid-state electronics, functioning at cryogenic temperatures. Characteristics of samples obtained with impedance measurements allow to predict certain specifications of reactive elements of solid state electronics based on polycrystalline and single crystalline silicon, operable at low temperatures. Using the established dependencies, separate elements in the form of solid-state electronics capacitive and inductive elements as well as a combined system in an oscillatory circuit, operable at cryogenic temperatures, have been suggested. The features of developed system depend on the structure of samples and their doping level, which allows to change the required parameters of the elements of solid state electronics in a wide range.

  10. Electronic States near Dislocations in Transition Metals : An Application of Quantum Chemistry in Technology

    NARCIS (Netherlands)

    Hosson, J.Th.M. De

    1980-01-01

    This paper outlines a model for calculating the localized states of a <100> edge dislocation in α-Fe. The model used for the calculations is based on the multiple-scattering model (SCF-Xα-SW). The purpose of this research is twofold: (1) To determine changes in electronic structure of the lattice ne

  11. Transition Operators Entering Neutrinoles Double Electron Capture to Excited Nuclear States

    CERN Document Server

    Vergados, J D

    2011-01-01

    We construct the effective transition operators relevant for neutrinoless double electron capture leading to final nuclear states different than $0^{+}$. From the structure of these operators we see that, if such a process is observed experimentally, it will be very helpful in singling out the very important light neutrino mass contribution from the other lepton violating mechanisms

  12. Spatial Mapping of the Electronic States of a One-Dimensional System

    NARCIS (Netherlands)

    Houselt, van Arie; Oncel, Nuri; Poelsema, Bene; Zandvliet, Harold J.W.

    2006-01-01

    Using low-temperature scanning tunneling microscopy and spectroscopy, we have recorded spatial maps of confined electronic states in the troughs between self-organized Pt nanowires on Ge(001) that are spaced 2.4 nm apart. Two sub-bands are resolved, which correspond to the lowest energy levels of a

  13. 76 FR 76971 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Arkansas

    Science.gov (United States)

    2011-12-09

    ... its 40 CFR Part 272--Approved State Hazardous Waste Management EPA-authorized program for electronic reporting of annual hazardous waste information submitted under 40 CFR parts 262, 264, and 265 is being... Arkansas Department of Environmental Quality (AR DEQ) submitted an application for its Hazardous...

  14. First state selective electron capture measurements with trapped highly charged ions

    NARCIS (Netherlands)

    Bliek, F.W.; Woestenenk, G.R.; Hoekstra, R.A.; Morgenstern, R.W.H.

    1997-01-01

    The first state selective electron capture cross section measurements at eV energies are reported for collisions between C4+ ions and H-2 molecules. The cross sections are measured in a crossed beam experiment by means of Photon Emission Spectroscopy. The ion beams are decelerated in an octopole ion

  15. Theory of the electronic and structural properties of solid state oxides

    Energy Technology Data Exchange (ETDEWEB)

    Chelikowsky, J.R.

    1990-01-01

    Studies on electronic and structural properties of solid state oxides continued. This quarter, studies have concentrated on silica. Progress is discussed in the following sections: interatomic potentials and the structural properties of silica; chemical reactivity and covalent/metallic bonding on Si clusters; and surface and thermodynamic interatomic forces fields for silicon. 64 refs., 20 figs., 5 tabs. (CBS)

  16. Managing Selection for Electronic Resources: Kent State University Develops a New System to Automate Selection

    Science.gov (United States)

    Downey, Kay

    2012-01-01

    Kent State University has developed a centralized system that manages the communication and work related to the review and selection of commercially available electronic resources. It is an automated system that tracks the review process, provides selectors with price and trial information, and compiles reviewers' feedback about the resource. It…

  17. Equalizing Access to Electronic Networked Resources: A Model for Rural Libraries in the United States.

    Science.gov (United States)

    Senkevitch, Judith J.; Wolfram, Dietmar

    1994-01-01

    Provides an overview of the current state of networking technology in rural libraries and describes a model for educating rural librarians in accessing electronic networks. Topics discussed include information needs in rural libraries; telecommunications technology access in rural areas; and examples of services to enhance information access.…

  18. Electronic and vibrational spectroscopy of 1-methylthymine and its water clusters: the dark state survives hydration.

    Science.gov (United States)

    Busker, Matthias; Nispel, Michael; Häber, Thomas; Kleinermanns, Karl; Etinski, Mihajlo; Fleig, Timo

    2008-08-04

    Electronic and vibrational gas phase spectra of 1-methylthymine (1MT) and 1-methyluracil (1MU) and their clusters with water are presented. Mass selective IR/UV double resonance spectra confirm the formation of pyrimidine-water clusters and are compared to calculated vibrational spectra obtained from ab initio calculations. In contrast to Y. He, C. Wu, W. Kong; J. Phys. Chem. A, 2004, 108, 94 we are able to detect 1MT/1MU and their water clusters via resonant two-photon delayed ionization under careful control of the applied water-vapor pressure. The long-living dark electronic state of 1MT and 1MU detected by delayed ionization, survives hydration and the photostability of 1MT/1MU cannot be attributed solely to hydration. Oxygen coexpansions and crossed-beam experiments indicate that the triplet state population is probably small compared to the (1)n pi* and/or hot electronic ground state population. Ab initio theory shows that solvation of 1MT by water does not lead to a substantial modification of the electronic relaxation and quenching of the (1)n pi* state. Relaxation pathways via (1)pi pi*(1)-n pi*(1) and (1)pi pi*-S(0) conical intersections and barriers have been identified, but are not significantly altered by hydration.

  19. The repopulation of electronic states upon vibrational excitation of niobium carbide clusters

    Science.gov (United States)

    Chernyy, V.; Logemann, R.; Bakker, J. M.; Kirilyuk, A.

    2016-07-01

    We study the infrared (IR) resonant heating of neutral niobium carbide clusters probed through ultraviolet photoionization spectroscopy. The IR excitation not only changes the photoionization spectra for the photon energies above the ionization threshold, but also modulates ion yield for energies significantly below it. An attempt to describe the experimental spectra using either Fowler's theory or thermally populated vibrational states was not successful. However, the data can be fully modeled by vibrationally and rotationally broadened discrete electronic levels obtained from Density Functional Theory (DFT) calculations. The application of this method to spectra with different IR pulse energies not only yields information about the excited electronic states in the vicinity of the HOMO level, populated by manipulation of the vibrational coordinates of a cluster, but also can serve as an extra indicator for the cluster isomeric structure and corresponding DFT-calculated electronic levels.

  20. Dynamic tunneling force microscopy for characterizing electronic trap states in non-conductive surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, R.; Williams, C. C., E-mail: clayton@physics.utah.edu [Department of Physics and Astronomy, University of Utah, Salt Lake City, Utah 84112 (United States)

    2015-09-15

    Dynamic tunneling force microscopy (DTFM) is a scanning probe technique for real space mapping and characterization of individual electronic trap states in non-conductive films with atomic scale spatial resolution. The method is based upon the quantum mechanical tunneling of a single electron back and forth between a metallic atomic force microscopy tip and individual trap states in completely non-conducting surface. This single electron shuttling is measured by detecting the electrostatic force induced on the probe tip at the shuttling frequency. In this paper, the physical basis for the DTFM method is unfolded through a physical model and a derivation of the dynamic tunneling signal as a function of several experimental parameters is shown. Experimental data are compared with the theoretical simulations, showing quantitative consistency and verifying the physical model used. The experimental system is described and representative imaging results are shown.

  1. Modeling and Simulation of DC Power Electronics Systems Using Harmonic State Space (HSS) Method

    DEFF Research Database (Denmark)

    Kwon, Jun Bum; Wang, Xiongfei; Bak, Claus Leth

    2015-01-01

    For the efficiency and simplicity of electric systems, the dc based power electronics systems are widely used in variety applications such as electric vehicles, ships, aircrafts and also in homes. In these systems, there could be a number of dynamic interactions between loads and other dc...... based on the state-space averaging and generalized averaging, these also have limitations to show the same results as with the non-linear time domain simulations. This paper presents a modeling and simulation method for a large dc power electronic system by using Harmonic State Space (HSS) modeling....... Through this method, the required computation time and CPU memory for large dc power electronics systems can be reduced. Besides, the achieved results show the same results as with the non-linear time domain simulation, but with the faster simulation time which is beneficial in a large network....

  2. The repopulation of electronic states upon vibrational excitation of niobium carbide clusters.

    Science.gov (United States)

    Chernyy, V; Logemann, R; Bakker, J M; Kirilyuk, A

    2016-07-14

    We study the infrared (IR) resonant heating of neutral niobium carbide clusters probed through ultraviolet photoionization spectroscopy. The IR excitation not only changes the photoionization spectra for the photon energies above the ionization threshold, but also modulates ion yield for energies significantly below it. An attempt to describe the experimental spectra using either Fowler's theory or thermally populated vibrational states was not successful. However, the data can be fully modeled by vibrationally and rotationally broadened discrete electronic levels obtained from Density Functional Theory (DFT) calculations. The application of this method to spectra with different IR pulse energies not only yields information about the excited electronic states in the vicinity of the HOMO level, populated by manipulation of the vibrational coordinates of a cluster, but also can serve as an extra indicator for the cluster isomeric structure and corresponding DFT-calculated electronic levels.

  3. Photodissociation of carbon dioxide in singlet valence electronic states. II. Five state absorption spectrum and vibronic assignment

    Science.gov (United States)

    Grebenshchikov, Sergy Yu.

    2013-06-01

    The absorption spectrum of CO2 in the wavelength range 120-160 nm is analyzed by means of quantum mechanical calculations performed using vibronically coupled potential energy surfaces of five singlet valence electronic states and the coordinate dependent transition dipole moment vectors. The thermally averaged spectrum, calculated for T = 190 K via Boltzmann averaging of optical transitions from many initial rotational states, accurately reproduces the experimental spectral envelope, consisting of a low and a high energy band, the positions of the absorption maxima, their FWHMs, peak intensities, and frequencies of diffuse structures in each band. Contributions of the vibronic interactions due to Renner-Teller coupling, conical intersections, and the Herzberg-Teller effect are isolated and the calculated bands are assigned in terms of adiabatic electronic states. Finally, diffuse structures in the calculated bands are vibronically assigned using wave functions of the underlying resonance states. It is demonstrated that the main progressions in the high energy band correspond to consecutive excitations of the pseudorotational motion along the closed loop of the CI seam, and progressions differ in the number of nodes along the radial mode perpendicular to the closed seam. Irregularity of the diffuse peaks in the low energy band is interpreted as a manifestation of the carbene-type "cyclic" OCO minimum.

  4. Fundamental Principles of the Physics of Magnetism and the Problem of Localized and Itinerant Electronic States

    CERN Document Server

    Kuzemsky, A L

    2000-01-01

    Some of the remarkably and recently observed features of complex transition metal and rare-earth metal oxides, compounds and alloys concerning mainly of their magnetic behaviour are reviewed in the context of slow neutron scattering. These includes variety of the new class of materials with unusual properties: high Tc superconductors, heavy fermion compounds, perovskite manganites, magnetic d and f transition metals, diluted magnetic semiconductors, etc. Contrary to simple metals where the fundamentals very well known and the electrons can be represented in a way such that they weakly interact with each other, in these materials the electrons interact strongly and moreover their spectra are complex, i.e. have many branches, etc. The behaviour and the true nature of the electronic states are of central importance to the understanding of unusual transport and magnetic properties of this class of materials. We argue that interesting electronic and magnetic properties of these substances are intimately related wi...

  5. Microwave-Induced Oscillations in Magnetocapacitance: Direct Evidence for Nonequilibrium Occupation of Electronic States

    Science.gov (United States)

    Dorozhkin, S. I.; Kapustin, A. A.; Umansky, V.; von Klitzing, K.; Smet, J. H.

    2016-10-01

    In a two-dimensional electron system, microwave radiation may induce giant resistance oscillations. Their origin has been debated controversially and numerous mechanisms based on very different physical phenomena have been invoked. However, none of them have been unambiguously experimentally identified, since they produce similar effects in transport studies. The capacitance of a two-subband system is sensitive to a redistribution of electrons over energy states, since it entails a shift of the electron charge perpendicular to the plane. In such a system, microwave-induced magnetocapacitance oscillations have been observed. They can only be accounted for by an electron distribution function oscillating with energy due to Landau quantization, one of the quantum mechanisms proposed for the resistance oscillations.

  6. Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State.

    Science.gov (United States)

    Lim, A; Foulkes, W M C; Horsfield, A P; Mason, D R; Schleife, A; Draeger, E W; Correa, A A

    2016-01-29

    We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. An analysis of the time dependence of the transition rates using coupled linear rate equations enables one of the excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.

  7. Vibrational states of the triplet electronic state of H3+. The role of non-adiabatic coupling and geometrical phase

    CERN Document Server

    Alijah, Alexander

    2015-01-01

    Vibrational energies and wave functions of the triplet state of the H3+ ion have been determined. In the calculations, the ground and first excited triplet electronic states are included as well as the non-Born-Oppenheimer coupling between them. A diabatization procedure transforming the two adiabatic ab initio potential energy surfaces of the triplet-H3+ state into a 2x2 matrix is employed. The diabatization takes into account the non-Born-Oppenheimer coupling and the effect of the geometrical phase due to the conical intersection between the two adiabatic potential surfaces. The results are compared to the calculation involving only the lowest adiabatic potential energy surface of the triplet-H3+ ion and neglecting the geometrical phase. The energy difference between results with and without the non-adiabatic coupling and the geometrical phase is about a wave number for the lowest vibrational levels.

  8. Electron-phonon interaction in the quantum well state of the 1 ML Na/Cu(111) system

    Science.gov (United States)

    Eremeev, S. V.; Rusina, G. G.; Borisova, S. D.; Chulkov, E. V.

    2008-02-01

    The electron-phonon interaction in the quantum well state formed by a Na monolayer coating on Cu(111) is investigated theoretically. The calculations show that the electron-phonon coupling constant γ in this state decreases insignificantly (≈1%) compared to the value of γ for a clean copper surface. The corresponding electron-phonon contribution to the lifetime τ of the quantum well state increases by a factor of 1.5 compared to τ for the clean Cu(111) surface.

  9. Tunable Plasmonic Reflection by Bound 1D Electron States in a 2D Dirac Metal

    Science.gov (United States)

    Jiang, B.-Y.; Ni, G. X.; Pan, C.; Fei, Z.; Cheng, B.; Lau, C. N.; Bockrath, M.; Basov, D. N.; Fogler, M. M.

    2016-08-01

    We show that the surface plasmons of a two-dimensional Dirac metal such as graphene can be reflected by linelike perturbations hosting one-dimensional electron states. The reflection originates from a strong enhancement of the local optical conductivity caused by optical transitions involving these bound states. We propose that the bound states can be systematically created, controlled, and liquidated by an ultranarrow electrostatic gate. Using infrared nanoimaging, we obtain experimental evidence for the locally enhanced conductivity of graphene induced by a carbon nanotube gate, which supports this theoretical concept.

  10. Tunable Plasmonic Reflection by Bound 1D Electron States in a 2D Dirac Metal.

    Science.gov (United States)

    Jiang, B-Y; Ni, G X; Pan, C; Fei, Z; Cheng, B; Lau, C N; Bockrath, M; Basov, D N; Fogler, M M

    2016-08-19

    We show that the surface plasmons of a two-dimensional Dirac metal such as graphene can be reflected by linelike perturbations hosting one-dimensional electron states. The reflection originates from a strong enhancement of the local optical conductivity caused by optical transitions involving these bound states. We propose that the bound states can be systematically created, controlled, and liquidated by an ultranarrow electrostatic gate. Using infrared nanoimaging, we obtain experimental evidence for the locally enhanced conductivity of graphene induced by a carbon nanotube gate, which supports this theoretical concept.

  11. Broadband 2D electronic spectroscopy reveals a carotenoid dark state in purple bacteria.

    Science.gov (United States)

    Ostroumov, Evgeny E; Mulvaney, Rachel M; Cogdell, Richard J; Scholes, Gregory D

    2013-04-01

    Although the energy transfer processes in natural light-harvesting systems have been intensively studied for the past 60 years, certain details of the underlying mechanisms remain controversial. We performed broadband two-dimensional (2D) electronic spectroscopy measurements on light-harvesting proteins from purple bacteria and isolated carotenoids in order to characterize in more detail the excited-state manifold of carotenoids, which channel energy to bacteriochlorophyll molecules. The data revealed a well-resolved signal consistent with a previously postulated carotenoid dark state, the presence of which was confirmed by global kinetic analysis. The results point to this state's role in mediating energy flow from carotenoid to bacteriochlorophyll.

  12. Controllable Quantum State Transfer Between a Josephson Charge Qubit and an Electronic Spin Ensemble

    Science.gov (United States)

    Yan, Run-Ying; Wang, Hong-Ling; Feng, Zhi-Bo

    2016-01-01

    We propose a theoretical scheme to implement controllable quantum state transfer between a superconducting charge qubit and an electronic spin ensemble of nitrogen-vacancy centers. By an electro-mechanical resonator acting as a quantum data bus, an effective interaction between the charge qubit and the spin ensemble can be achieved in the dispersive regime, by which state transfers are switchable due to the adjustable electrical coupling. With the accessible experimental parameters, we further numerically analyze the feasibility and robustness. The present scheme could provide a potential approach for transferring quantum states controllably with the hybrid system.

  13. Correlated electronic states of SrVO{sub 3} revealed by angle-resolved photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, T. [Graduate School of Human and Environmental Studies, Kyoto University, Sakyo-ku, Kyoto 606-8501 (Japan); Kobayashi, M. [KEK, Photon Factory, Tsukuba 305-0801, Ibaraki (Japan); Yoshimatsu, K. [KEK, Photon Factory, Tsukuba 305-0801, Ibaraki (Japan); Department of Physics, The University of Tokyo, Tokyo 113-0033 (Japan); Kumigashira, H. [KEK, Photon Factory, Tsukuba 305-0801, Ibaraki (Japan); Fujimori, A. [Department of Physics, The University of Tokyo, Tokyo 113-0033 (Japan)

    2016-04-15

    In this article, we review recent progress in angle-resolved photoemission (ARPES) studies of the Mott-Hubbard-type correlated electron systems SrVO{sub 3}. It has the d{sup 1} electron configuration and is an ideal model compound to study electron correlation effects in normal metal. ARPES studies of bulk single-crystal SrVO{sub 3} and CaVO{sub 3} have revealed the difference in the mass renormalization of electrons between them. In-situ ARPES studies of thin films fabricated by the pulsed laser deposition method have clarified not only quasi-particle dispersions, which show a kink like high-T{sub c} cuprates, but also finite dispersions in the incoherent part. Self-energy in a wide energy range has been deduced from the ARPES spectral weight using Kramers–Kronig transformation. The obtained self-energy has several structures which yield the incoherent feature and a pseudogap-like dip similar to the high-T{sub c} cuprates. Quantum-well states in ultrathin films of SrVO{sub 3} have revealed sub-bands with correlated electrons. These findings of electron correlation effects outlined in the present article would provide a starting point not only for fundamental condensed-matter physics but also for the development of new devices with correlated electrons.

  14. The ionization state in a gas with a non-Maxwellian electron distribution

    Science.gov (United States)

    Owocki, S. P.; Scudder, J. D.

    1981-01-01

    The inferred degree of ionization of a gas is often used in astrophysics as a diagnostic of the gas temperature. In the solar transition region and corona, in the outer atmospheres of cool stars, and in some portions of the interstellar medium), photoionization can be neglected, and the ionization state is fixed by the balance between ion-electron collisional ionization and dielectronic and/or radiative recombination. Under these conditions, higher degrees of ionization result from higher energy ion-electron collisions which are common in a high temperature gas. Actually, ionization occurs through collisions with electrons that have kinetic energies greater than the ionization potential of the given ion, and so the ionization rate depends on to the number of such high-energy electrons in the tail of the electron velocity distribution. High-velocity electrons move across large distances between effective coulomb collisions, and, in a strong temperature or density gradient, the tail can be overpopulated relative to Maxwell-Boltzmann distribution of equivalent energy density. Thus, the ionization rate can also be greatly increased. These effects for a parameterized form of the electron distribution function with an enhanced high-velocity tail, namely the kappa distribution are illustrated.

  15. Electron dynamics in the normal state of cuprates: Spectral function, Fermi surface and ARPES data

    Science.gov (United States)

    Zubov, E. E.

    2016-11-01

    An influence of the electron-phonon interaction on excitation spectrum and damping in a narrow band electron subsystem of cuprates has been investigated. Within the framework of the t-J model an approach to solving a problem of account of both strong electron correlations and local electron-phonon binding with characteristic Einstein mode ω0 in the normal state has been presented. In approximation Hubbard-I it was found an exact solution for the polaron bands. We established that in the low-dimensional system with a pure kinematic part of Hamiltonian a complicated excitation spectrum is realized. It is determined mainly by peculiarities of the lattice Green's function. In the definite area of the electron concentration and hopping integrals a correlation gap may be possible on the Fermi level. Also, in specific cases it is observed a doping evolution of the Fermi surface. We found that the strong electron-phonon binding enforces a degree of coherence of electron-polaron excitations near the Fermi level and spectrum along the nodal direction depends on wave vector module weakly. It corresponds to ARPES data. A possible origin of the experimentally observed kink in the nodal direction of cuprates is explained by fine structure of the polaron band to be formed near the mode -ω0.

  16. Different electronic charges in two-component superconductor by coherent state

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Xuguang, E-mail: shixg@bjfu.edu.cn

    2015-07-17

    Recently, the different electronic charges, which are related to the different coupling constants with magnetic field, in the two-component superconductor have been studied in the frame of Ginzburg–Landau theory. In order to study the electronic charges in detail we suggest the wave function in the two-component superconductor to be in the coherent state. We find the different electronic charges exist not only in the coherent state but also in the incoherent state. But the ratio of the different charges in the coherent state is different from the ratio in the incoherence. The expressions of the coupling constants are given directly based on the coherence effects. We also discuss the winding number in such a system. - Highlights: • Suggest the wave function in two-component superconductor is coherent. • Interpret the existence of different electric charges by the coherent states. • Derive a new expression for the supercurrent. • Reveal the relation between different electric charges and winding number.

  17. Low-energy electronic states of carbon nanocones in an electric field

    Institute of Scientific and Technical Information of China (English)

    Jun-Liang Chen; Ming-Horng Su; Chi-Chuan Hwang; Jian-Ming Lu; Chia-Chang Tsai

    2010-01-01

    The low-energy electronic states and energy gaps of carbon nanocones in an electric field are studied using a single-p-band tight-binding model. The analysis considers five perfect carbon nanocones with disclination angles of 60°, 120°, 180°, 240°and 300°, respectively. The numerical results reveal that the low-energy electronic states and energy gaps of a carbon nanocones are highly sensitive to its geometric shape (i.e. the disclination angle and height), and to the direction and magnitude of an electric field. The electric field causes a strong modulation of the state energies and energy gaps of the nanocones, changes their Fermi levels, and induces zero-gap transitions. The energy-gap modulation effect becomes particularly pronounced at higher strength of the applied electric field, and is strongly related to the geometric structure of the nanocone.

  18. Towards producing ultracold CaNa+ molecular ions in the ground electronic state

    Science.gov (United States)

    Gacesa, Marko; Montgomery, John A.; Michels, Harvey H.; Côté, Robin

    2015-05-01

    We present a theoretical analysis of optical pathways for the formation of cold Ca(1S)Na+(1S) molecular ions, based on accurate potential energy curves and transition dipole moments calculated using effective-core-potential methods of quantum chemistry. In the proposed approach, starting from a mixture of trapped laser-cooled Ca+ ions immersed into an ultracold gas of Na atoms, the (NaCa)+ are photoassociated in the excited E1Σ+ electronic state, followed by spontaneous radiative charge transfer and emission through an intermediate state. We find the optimal formation pathway and report radiative charge-exchange cross sections and vibrational distributions of participating electronic states. This work is partially supported by ARO.

  19. Both electron and hole Dirac cone states in Ba(FeAs)2 confirmed by magnetoresistance.

    Science.gov (United States)

    Huynh, Khuong K; Tanabe, Yoichi; Tanigaki, Katsumi

    2011-05-27

    Quantum transport of Dirac cone states in the iron pnictide Ba(FeAs)(2) with a d-multiband system is studied by using single crystal samples. Transverse magnetoresistance develops linearly against the magnetic field at low temperatures. The transport phenomena are interpreted in terms of the zeroth Landau level by applying the theory predicted by Abrikosov. The results of the semiclassical analyses of a two carrier system in a low magnetic field limit show that both the electron and hole reside as the high mobility states. Our results show that pairs of electron and hole Dirac cone states must be taken into account for an accurate interpretation in iron pnictides, which is in contrast with previous studies.

  20. Cavity quantum electrodynamics with many-body states of a two-dimensional electron gas.

    Science.gov (United States)

    Smolka, Stephan; Wuester, Wolf; Haupt, Florian; Faelt, Stefan; Wegscheider, Werner; Imamoglu, Ataç

    2014-10-17

    Light-matter interaction has played a central role in understanding as well as engineering new states of matter. Reversible coupling of excitons and photons enabled groundbreaking results in condensation and superfluidity of nonequilibrium quasiparticles with a photonic component. We investigated such cavity-polaritons in the presence of a high-mobility two-dimensional electron gas, exhibiting strongly correlated phases. When the cavity was on resonance with the Fermi level, we observed previously unknown many-body physics associated with a dynamical hole-scattering potential. In finite magnetic fields, polaritons show distinct signatures of integer and fractional quantum Hall ground states. Our results lay the groundwork for probing nonequilibrium dynamics of quantum Hall states and exploiting the electron density dependence of polariton splitting so as to obtain ultrastrong optical nonlinearities.

  1. Wilson's disease (hepatolenticular degeneration).

    Science.gov (United States)

    Herron, B E

    1976-01-01

    Wilson's disease, or hepatolenticular degeneration, is a rare inherited disorder of copper metabolism which usually affects young people. Excess copper accumulates in the tissues, primarily in the liver, brain, and cornea. This copper deposition results in a wide range of hepatic and neurological symptoms, and may produce psychiatric illness. Hepatic involvement often occurs in childhood, while neurological deficits generally are detected at a later age. The disease is inherited in an autosomal recessive fashion. Ocular findings are of particular importance because the corneal copper deposition, forming the Kayser-Fleischer ring,is the only pathognomonic sign of the disease. The structure of the ring and the presence of copper have been well established. An anterior capsular deposition of copper in the lens results in a characteristic sunflower cataract in some of these patients. Other ocular abnormalities have been described but are much less common. The pathogenesis of the disease and the basic genetic defect remain obscure. It is clear that there is excess copper in the tissues, but the mechanism of its deposition is unknown. It is in some way associated with a failure to synthesize the serum copper protein ceruloplasmin normally. Another theory suggests that an abnormal protein with a high affinity for copper may bind the metal in the tissues. The diagnosis may be suggested by the clinical manifestations and confirmed by the presence of a Kayser-Fleischer ring. In the absence of these findings biochemical determinations are necessary. The most important of these are the serum ceruloplasmin, the urinary copper, and the hepatic copper concentration on biopsy. Treatment consists in the administration of the copper chelating agent, penicillamine, and the avoidance of a high copper intake. This usually results in marked clinical improvement if irreversible tissue damage has not occurred. Maintenance therapy for life is necessary in order to continue the negative

  2. Studies on the full vibrational energy spectra for some electronic states of diatomic molecular ions XY+

    Institute of Scientific and Technical Information of China (English)

    LIU Yi-ding; SUN Wei-guo; REN Wei-yi

    2006-01-01

    The first accurate studies on the vibrational spectroscopic constants and the corresponding full vibrational energy spectra of some electronic states of diatomic molecular ions XY+ were performed using algebraic method(AM).The AM is applied on the X1Σ+ state of BeH+,the X2Σ+ state of CO+ , the X21-Π state of F2+ the A2Πu state of O2+ and theX2Σ+g Li2+.The results show that AM can generate accurate vibrational spectroscopic constants as well as accurate full vibrational energy spectra by using some accurate experimental vibrational energies,and that the AM vibrational energies are better than other theoretical data.

  3. Vibronic structure and coupling of higher excited electronic states in carotenoids

    Science.gov (United States)

    Krawczyk, Stanisław; Luchowski, Rafał

    2013-03-01

    Absorption spectra of all-trans carotenoids (lycopene, violaxanthin, ζ-carotene) at low temperature exhibit peculiar features in the UV range. The transition to the 11Ag+ state ('cis-band') weakens on cooling, indicating that it is induced by thermal deformations of the conjugated chain. The higher energy band has unique vibrational structure indicating the vibronic coupling of nBu with another electronic state. The electroabsorption spectra point to the electric field-induced mixing of the nBu state with the vibrational continuum of a lower-lying excited state (Fano effect). These observations widen the basis for elucidation of the vibronic coupling effects in the lower excited states.

  4. CKD increases the risk of age-related macular degeneration.

    Science.gov (United States)

    Liew, Gerald; Mitchell, Paul; Wong, Tien Yin; Iyengar, Sudha K; Wang, Jie Jin

    2008-04-01

    Age-related macular degeneration is the leading cause of irreversible blindness in the United States and often coexists with chronic kidney disease. Both conditions share common genetic and environmental risk factors. A total of 1183 participants aged 54+ were examined in the population-based, prospective cohort Blue Mountains Eye Study (Australia) to determine if chronic kidney disease increases the risk of age-related macular degeneration. Moderate chronic kidney disease (estimated glomerular filtration rate macular degeneration was 3.9% in participants with no/mild chronic kidney disease (35 of 897) and 17.5% in those with moderate chronic kidney disease (50 of 286). After adjusting for age, sex, cigarette smoking, hypertension, complement factor H polymorphism, and other risk factors, persons with moderate chronic kidney disease were 3 times more likely to develop early age-related macular degeneration than persons with no/mild chronic kidney disease (odds ratio = 3.2; 95% confidence interval, 1.8 to 5.7, P macular degeneration (odds ratio = 2.0; 95% confidence interval, 1.5 to 2.8, P chronic kidney disease have a higher risk of early age-related macular degeneration, suggesting the possibility of shared pathophysiologic mechanisms between the two conditions.

  5. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    CERN Document Server

    Fujihashi, Yuta; Ishizaki, Akihito

    2015-01-01

    Recently, nuclear vibrational contribution signatures in 2D electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the e...

  6. Mapping Dimensionality and Directionality of Electronic Behavior in CeCoIn5: the Normal State

    Science.gov (United States)

    Gyenis, Andras; Feldman, Benjamin E.; Randeria, Mallika T.; Peterson, Gabriel A.; Aynajian, Pegor; Bauer, Eric D.; Yazdani, Ali

    Materials made from alternating layers of different constituents can exhibit dramatic variability in their electronic properties depending on which layer is probed. This is evident in the heavy fermion compound CeCoIn5, where scanning tunneling microscopy (STM) has revealed preferential coupling to either light or heavy electron states depending on the surface termination. Here we report STM measurements of CeCoIn5 cleaved perpendicular to its basal plane that clearly shows the quasi-two-dimensional nature of the electronic behavior on a single (100) surface. We observe atomic scale modulation of tunneling into the light and heavy electron bands in the c-axis direction, with no variation visible along the basal planes in the b-axis direction. In addition, conductance maps reveal preferential scattering along the two-dimensional basal planes. Our measurements highlight the reduced effective dimensionality of electronic states in CeCoIn5, and underscore the potential insight that can be gained by imaging layered materials perpendicular to their c-axis.

  7. Bimolecular Excited-State Electron Transfer with Surprisingly Long-Lived Radical Ions

    KAUST Repository

    Alsam, Amani Abdu

    2015-09-02

    We explored the excited-state interactions of bimolecular, non-covalent systems consisting of cationic poly[(9,9-di(3,3’-N,N’-trimethyl-ammonium) propyl fluorenyl-2,7-diyl)-alt-co-(9,9-dioctyl-fluorenyl-2,7-diyl)] diiodide salt (PFN) and 1,4-dicyanobenzene (DCB) using steady-state and time-resolved techniques, including femto- and nanosecond transient absorption and femtosecond infrared spectroscopies with broadband capabilities. The experimental results demonstrated that photo-induced electron transfer from PFN to DCB occurs on the picosecond time scale, leading to the formation of PFN+• and DCB-• radical ions. Interestingly, real-time observations of the vibrational marker modes on the acceptor side provided direct evidence and insight into the electron transfer process indirectly inferred from UV-Vis experiments. The band narrowing on the picosecond time scale observed on the antisymmetric C-N stretching vibration of the DCB radical anion provides clear experimental evidence that a substantial part of the excess energy is channeled into vibrational modes of the electron transfer product and that the geminate ion pairs dissociate. More importantly, our nanosecond time-resolved data indicate that the charge-separated state is very long lived ( 30 ns) due to the dissociation of the contact radical ion pair into free ions. Finally, the fast electron transfer and slow charge recombination anticipate the current donor−acceptor system with potential applications in organic solar cells.

  8. Excited state electron transfer from aminopyrene to graphene: a combined experimental and theoretical study.

    Science.gov (United States)

    Chakraborti, Himadri; Bramhaiah, Kommula; John, Neena Susan; Pal, Suman Kalyan

    2013-12-01

    The quenching of the fluorescence of 1-aminopyrene (1-Ap) by reduced graphene oxide (rGO) has been investigated using spectroscopic techniques. In spite of the upward curvature in the Stern-Volmer plot, the unchanged spectral signature of the absorption of 1-Ap in the presence of rGO and the decrease in fluorescence lifetime with increasing rGO concentration point toward the dynamic nature of the quenching. Detailed analysis of steady state and time-resolved spectroscopic data has shown that the quenching arises due to the photoinduced electron transfer from 1-Ap to rGO. This is again supported by estimating the Gibb's free energy change for the ground as well as excited state electron transfer. Ab initio calculations under the density functional theory (DFT) formalism reveal that the possibility of π-π stacking is very slim in the 1-Ap-rGO system and the electron density resides completely on 1-Ap in the highest occupied molecular orbital (HOMO) and on graphene in the lowest unoccupied molecular orbital (LUMO), supporting the experimental findings of the intermolecular electron transfer between 1-Ap and rGO in the excited state.

  9. Electronic and Shallow Impurity States in Semiconductor Heterostructures Under an Applied Electric Field

    Institute of Scientific and Technical Information of China (English)

    ZHOU Hai-Yang; GU Shi-Wei; SHI Yao-Ming

    2005-01-01

    With the use of variational method to solve the effective mass equation, we have studied the electronic and shallow impurity states in semiconductor heterostructures under an applied electric field. The electron energy levels are calculated exactly and the impurity binding energies are calculated with the variational approach. It is found that the behaviors of electronic and shallow impurity states in heterostructures under an applied electric field are analogous to that of quantum wells. Our results show that with the increasing strength of electric field, the electron confinement energies increase, and the impurity binding energy increases also when the impurity is on the surface, while the impurity binding energy increases at first, to a peak value, then decreases to a value which is related to the impurity position when the impurity is away from the surface. In the absence of electric field, the result tends to the Levine's ground state energy (-1/4 effective Rydberg) when the impurity is on the surface, and the ground impurity binding energy tends to that in the bulk when the impurity is far away from the surface. The dependence of the impurity binding energy on the impurity position for different electric field is also discussed.

  10. Hilbert space structure of a solid state quantum computer two-electron states of a double quantum dot artificial molecule

    CERN Document Server

    Hu, X; Hu, Xuedong

    2000-01-01

    We study theoretically a double quantum dot hydrogen molecule in the GaAs conduction band as the basic elementary gate for a quantum computer with the electron spins in the dots serving as qubits. Such a two-dot system provides the necessary two-qubit entanglement required for quantum computation. We determine the excitation spectrum of two horizontally coupled quantum dots with two confined electrons, and study its dependence on an external magnetic field. In particular, we focus on the splitting of the lowest singlet and triplet states, the double occupation probability of the lowest states, and the relative energy scales of these states. We point out that at zero magnetic field it is difficult to have both a vanishing double occupation probability for a small error rate and a sizable exchange coupling for fast gating. On the other hand, finite magnetic fields may provide finite exchange coupling for quantum computer operations with small errors. We critically discuss the applicability of the envelope funct...

  11. Effect of size on electronic states in a strained pyramidal InAs-GaAs quantum dot system

    Energy Technology Data Exchange (ETDEWEB)

    Ripan, G. H., E-mail: gregoryhr@gmail.com [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Faculty of Applied Science & Foundation Studies, Infrastructure University Kuala Lumpur, 43000 Kajang, Selangor (Malaysia); Woon, C. Y.; Gopir, G. [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)

    2015-09-25

    The effect of size on electronic states in a strained pyramidal InAs-GaAs quantum dot system was studied. A comparison was made between two InAs quantum pyramids of different sizes embedded inside a cubic GaAs susbtrate material. Strain relaxation was carried out via the Metropolis Monte Carlo method and the calculated local strain tensors were then included to solve the energy values and the wave functions of the electronic states inside the two simulation cube. The 3D finite difference scheme was employed to solve the time independent Schrödinger equation based on the decoupled electron-hole model. Calculated energy values of the four lowest electronic states showed that the transitions between the electron and hole states widen as the size of the dot becomes smaller especially between the ground states. The confinement of electrons and holes become weaker as the size of the dot reduces.

  12. Effect of size on electronic states in a strained pyramidal InAs-GaAs quantum dot system

    Science.gov (United States)

    Ripan, G. H.; Woon, C. Y.; Gopir, G.

    2015-09-01

    The effect of size on electronic states in a strained pyramidal InAs-GaAs quantum dot system was studied. A comparison was made between two InAs quantum pyramids of different sizes embedded inside a cubic GaAs susbtrate material. Strain relaxation was carried out via the Metropolis Monte Carlo method and the calculated local strain tensors were then included to solve the energy values and the wave functions of the electronic states inside the two simulation cube. The 3D finite difference scheme was employed to solve the time independent Schrödinger equation based on the decoupled electron-hole model. Calculated energy values of the four lowest electronic states showed that the transitions between the electron and hole states widen as the size of the dot becomes smaller especially between the ground states. The confinement of electrons and holes become weaker as the size of the dot reduces.

  13. Normal state electronic properties of LaO1-x Fx BiS2 superconductors

    Science.gov (United States)

    Querales-Flores, J. D.; Ventura, C. I.; Citro, R.; Rodríguez-Núñez, J. J.

    2016-05-01

    A good description of the electronic structure of BiS2-based superconductors is essential to understand their phase diagram, normal state and superconducting properties. To describe the first reports of normal state electronic structure features from angle resolved photoemission spectroscopy (ARPES) in LaO1-x Fx BiS2, we used a minimal microscopic model to study their low energy properties. It includes the two effective tight-binding bands proposed by Usui et al., Phys. Rev. B, 86, 2012, 220501(R), and we added moderate intra- and inter-orbital electron correlations related to Bi-(pY, pX) and S-(pY, pX) orbitals. We calculated the electron Green's functions using their equations of motion, which we decoupled in second-order of perturbations on the correlations. We determined the normal state spectral density function and total density of states for LaO1-x Fx BiS2, focusing on the description of the k-dependence, effect of doping, and the prediction of the temperature dependence of spectral properties. Including moderate electron correlations, improves the description of the few experimental ARPES and soft X-ray photoemission data available for LaO1-x Fx BiS2. Our analytical approximation enabled us to calculate the spectral density around the conduction band minimum at k→0 =(0.45 π , 0.45 π), and to predict the temperature dependence of the spectral properties at different BZ points, which might be verified by temperature-dependent ARPES.

  14. Quantum-chemical study of electronically excited states of protolytic forms of vanillic acid

    Science.gov (United States)

    Vusovich, O. V.; Tchaikovskaya, O. N.; Sokolova, I. V.; Vasil'eva, N. Y.

    2015-12-01

    The paper describes an analysis of possible ways of deactivation of electronically excited states of 4-hydroxy- 3-methoxy-benzoic acid (vanillic acid) and its protolytic forms with the use of quantum-chemical methods INDO/S (intermediate neglect of differential overlap with a spectroscopic parameterization) and MEP (molecular electrostatic potential). The ratio of radiative and non-radiative deactivation channels of the electronic excitation energy is established. The rate constants of photophysical processes (internal and intercombination conversions) occurring after the absorption of light in these forms are evaluated.

  15. Nonequilibrium Pump-Probe Photoexcitation as a Tool for Analyzing Unoccupied Equilibrium States of Correlated Electrons

    Science.gov (United States)

    Yamaji, Youhei; Imada, Masatoshi

    2016-09-01

    Relaxation of electrons in a Hubbard ring coupled to a dissipative bosonic bath is studied to simulate the pump-probe photoemission measurement. From this insight, we propose an experimental method of eliciting the unoccupied part of single-particle spectra at the equilibrium of doped Mott insulators. We reveal first that the effective temperatures of distribution functions and electronic spectra are different during the relaxation, which makes the frequently employed thermalization picture inappropriate. Contrary to the conventional analysis, we show that the unoccupied spectra at equilibrium can be detected as the states that relax faster.

  16. Spin-droplet state of an interacting 2D electron system.

    Science.gov (United States)

    Teneh, N; Kuntsevich, A Yu; Pudalov, V M; Reznikov, M

    2012-11-30

    We report thermodynamic magnetization measurements of two-dimensional electrons in several high-mobility Si metal-oxide-semiconductor field-effect transistors. We provide evidence for an easily polarizable electron state in a wide density range from insulating to deep into the metallic phase. The temperature and magnetic field dependence of the magnetization is consistent with the formation of large-spin droplets in the insulating phase. These droplets melt in the metallic phase with increasing density and temperature, though they survive up to large densities.

  17. Coupling a Surface Acoustic Wave to an Electron Spin in Diamond via a Dark State

    Directory of Open Access Journals (Sweden)

    D. Andrew Golter

    2016-12-01

    Full Text Available The emerging field of quantum acoustics explores interactions between acoustic waves and artificial atoms and their applications in quantum information processing. In this experimental study, we demonstrate the coupling between a surface acoustic wave (SAW and an electron spin in diamond by taking advantage of the strong strain coupling of the excited states of a nitrogen vacancy center while avoiding the short lifetime of these states. The SAW-spin coupling takes place through a Λ-type three-level system where two ground spin states couple to a common excited state through a phonon-assisted as well as a direct dipole optical transition. Both coherent population trapping and optically driven spin transitions have been realized. The coherent population trapping demonstrates the coupling between a SAW and an electron spin coherence through a dark state. The optically driven spin transitions, which resemble the sideband transitions in a trapped-ion system, can enable the quantum control of both spin and mechanical degrees of freedom and potentially a trapped-ion-like solid-state system for applications in quantum computing. These results establish an experimental platform for spin-based quantum acoustics, bridging the gap between spintronics and quantum acoustics.

  18. R-matrix with Pseudo-States Calculations for Electron Impact Excitation of Helium.

    Science.gov (United States)

    Bartschat, Klaus

    1998-05-01

    We have extended our previous R-matrix with pseudo-states work on electron impact excitation of the n=2 states of helium [1] to include transitions to the physical n=3 states. The predictions for total cross sections from both the ground state and the metastable (1s2s)^1,3S states agree very well with the convergent-close-coupling results of Fursa and Bray [2], while some disagreement remains with the recent experimental data of Lagus et al. [3]. However, excellent agreement between theory and experiment [2,4] is obtained for various electron impact coherence parameters, particularly for excitation of the 3^1,3D states. 1. K. Bartschat, E.T. Hudson, M.P. Scott, P.G. Burke, and V.M. Burke, 1. Phys. Rev. A 54 (1996), R998-1001; J. Phys. B29 (1996), 2875 & 5513 2. D.V. Fursa and I. Bray, J. Phys. B 30 (1997), 757-785 3. M.E. Lagus, J.B. Boffard, L.W. Anderson, and C.C. Lin, Phys. Rev. 3. A 53 (1996), 1505-18 4. A. Crowe (1997), private communication

  19. Normal-state nodal electronic structure in underdoped high-Tc copper oxides.

    Science.gov (United States)

    Sebastian, Suchitra E; Harrison, N; Balakirev, F F; Altarawneh, M M; Goddard, P A; Liang, Ruixing; Bonn, D A; Hardy, W N; Lonzarich, G G

    2014-07-03

    An outstanding problem in the field of high-transition-temperature (high-Tc) superconductivity is the identification of the normal state out of which superconductivity emerges in the mysterious underdoped regime. The normal state uncomplicated by thermal fluctuations can be studied using applied magnetic fields that are sufficiently strong to suppress long-range superconductivity at low temperatures. Proposals in which the normal ground state is characterized by small Fermi surface pockets that exist in the absence of symmetry breaking have been superseded by models based on the existence of a superlattice that breaks the translational symmetry of the underlying lattice. Recently, a charge superlattice model that positions a small electron-like Fermi pocket in the vicinity of the nodes (where the superconducting gap is minimum) has been proposed as a replacement for the prevalent superlattice models that position the Fermi pocket in the vicinity of the pseudogap at the antinodes (where the superconducting gap is maximum). Although some ingredients of symmetry breaking have been recently revealed by crystallographic studies, their relevance to the electronic structure remains unresolved. Here we report angle-resolved quantum oscillation measurements in the underdoped copper oxide YBa2Cu3O6 + x. These measurements reveal a normal ground state comprising electron-like Fermi surface pockets located in the vicinity of the nodes, and also point to an underlying superlattice structure of low frequency and long wavelength with features in common with the charge order identified recently by complementary spectroscopic techniques.

  20. Atomic electronic states: the L-S and j-j coupling schemes and their correlation

    CERN Document Server

    Li, Wai-Kee

    2014-01-01

    In the first part of this paper, we review the assumption of the L-S coupling scheme, with which we derive the electronic states arising from a given atomic configuration. Then, with the aid of the spectral data of Group 15 elements, it becomes clear that the assumption of the L-S coupling scheme is no longer valid as we go farther and farther down the Periodic Table. In the second part, we introduce the j-j coupling scheme, which is seldom covered in standard inorganic chemistry texts, and contrast the assumptions of the two schemes. Next, we use two worked examples to demonstrate the derivation of electronic states with the j-j coupling scheme. Finally, the correlation between the states derived by L-S and j-j schemes is pictorially shown. It is believed a student, by also studying j-j coupling schemes (by no means a difficult task) along with the L-S scheme, will gain a better understanding of the concept of atomic electronic states.

  1. Business pluralism of electronic prescriptions: state of development in Europe and the USA.

    Science.gov (United States)

    Salmivalli, Lauri; Hilmola, Olli-Pekka

    2006-01-01

    In this paper, we analyse the current state of the development of electronic prescriptions in Europe and the USA. These two places have different approaches to the healthcare sector, since in the former one national social insurance usually provides treatment for all of the people (most often only with friction from total costs), but in the latter one the healthcare sector is under free market forces. As our analysis shows in this paper, electronic prescriptions in both of the places have developed in recent years quite favourably, but this development has not produced consistent results, whether electronic prescriptions should be provided by for-profit companies or should they be under strict control of governmental authorities. We base this finding in two empirical observations: (1) in Europe saving potential from electronic prescriptions is estimated to be high, and contains many abstract national economy accounts and (2) leading US companies (providing electronic prescription services) have went been able to increase their revenues significantly, but still their profitability is questionable. We argue that the situation of electronic prescriptions is similar with airline or credit card industry. Both of these are vital for international and local economies, but the business models have developed well after the initial idea.

  2. Bound states of a negative test charge due to many-body effects in the two-dimensional electron gas

    Science.gov (United States)

    Ghazali, A.; Gold, A.

    1995-12-01

    Bound states of a negative test electron in the low-density regime of the two-dimensional electron gas are obtained when many-body effects (exchange and correlation) are incorporated in the screening function via the local-field correction. Using the Green's-function method and a variational method we determine the energies and the wave functions of the ground state and the excited states as functions of the electron density. For high electron density no bound state is found. Below a critical density the number and the energy of bound states increase with decreasing electron density. The ground state is described by the wave function ψ2s~r exp(-r/α).

  3. A novel electronic configuration of the 5f states in {delta}-plutonium as revealed by the photo-electron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Wills, J.M.; Eriksson, O. E-mail: olle.eriksson@fysik.uu.se; Delin, A.; Andersson, P.H.; Joyce, J.J.; Durakiewicz, T.; Butterfield, M.T.; Arko, A.J.; Moore, D.P.; Morales, L.A

    2004-04-01

    We present a theoretical model, the mixed-level model, aiming at describing metals with very complex, strongly correlated, electronic structures. As a demonstration, it is applied to the electronic structure of {delta}-Pu. The model reproduces the electronic-structure related properties of this complex metal; in particular, the theory is capable of reproducing the valence band photoemission spectrum of {delta}-Pu. We also report new experimental photoemission spectra at several photon energies. Taken together, our results provide strong evidence that the electronic structure of {delta}-Pu involves a 5f shell with four electrons in a localized multiplet hybridizing with valence states, and approximately one 5f electron forming a completely delocalized band state.

  4. Ab Initio Investigations of the Excited Electronic States of CaOCa

    Science.gov (United States)

    Fawzy, Wafaa M.; Heaven, Michael

    2016-06-01

    Chemical bonding in alkaline earth hypermetalic oxides is of fundamental interest. Previous Ab initio studies of CaOCa predicted a centrosymmetric linear geometry for both the 1Σg^+ ground state and the low lying triplet 3Σu^+ state. However, there have been no reports concerning the higher energy singlet and triplet states. The present work is focused on characterization of the potential energy surface (PES) of the excited 1Σu^+ state (assuming a centrosymmetric linear geometry) and obtaining predictions for the 1Σu^+←1Σg^+ vibronic transitions. We employed the multireference configuration interaction (MRCISD) method with state-averaged, full-valence complete active space self-consistent field (SA-FV-CASSCF) wavefunctions. In these calculations, the active space consisted of ten valence electrons in twelve orbitals, where all the valence electrons were correlated. Contributions of higher excitation and relativistic effects were taken into account using the Davidson correction and the Douglas-Kroll (DK) Hamiltonian, respectively. The correlation-consistent polarized weighed core-valence quadruple zeta basis set (cc-pwCVQZ-DK) was used for all three atoms. The full level of theory is abbreviated as SA-FV-CASSCF (10,12)-MRCISD-Q/cc-pwCVQZ-DK. The calculations were carried out using the MOLPRO2012 suite of programs. For the centrosymmetric linear geometry in all states, initial investigations of one-dimensional radial cuts provided equilibrium bond distances of 2.034 {Å}, 2.034 {Å}, and 1.999 {Å} for the 1Σg^+ , 3Σu^+ , and 1Σu^+ states, respectively. The vertical excitation frequency of the 1Σu^+←1Σg^+ optical transition was calculated to occur at 14801 wn. These predictions were followed by spectroscopic searches by Heaven et al. Indeed, rotationally resolved vibronic progressions were recorded in the vicinity of the predicted electronic band origin. Calculation of the three-dimensional PES showed that the potential minimum in the 1Σu^+ corresponds

  5. Electronic spectra and excited state dynamics of pentafluorophenol: Effects of low-lying πσ{sup ∗} states

    Energy Technology Data Exchange (ETDEWEB)

    Karmakar, Shreetama; Mukhopadhyay, Deb Pratim; Chakraborty, Tapas, E-mail: pctc@iacs.res.in [Physical Chemistry Department, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India)

    2015-05-14

    Multiple fluorine atom substitution effect on photophysics of an aromatic chromophore has been investigated using phenol as the reference system. It has been noticed that the discrete vibronic structure of the S{sub 1}←S{sub 0} absorption system of phenol vapor is completely washed out for pentafluorophenol (PFP), and the latter also shows very large Stokes shift in the fluorescence spectrum. For excitations beyond S{sub 1} origin, the emission yield of PFP is reduced sharply with increase in excess vibronic energy. However, in a collisional environment like liquid hydrocarbon, the underlying dynamical process that drives the non-radiative decay is hindered drastically. Electronic structure theory predicts a number of low-lying dark electronic states of πσ{sup ∗} character in the vicinity of the lowest valence ππ{sup ∗} state of this molecule. Tentatively, we have attributed the excitation energy dependent non-radiative decay of the molecule observed only in the gas phase to an interplay between the lowest ππ{sup ∗} and a nearby dissociative πσ{sup ∗} state. Measurements in different liquids reveal that some of the dark excited states light up with appreciable intensity only in protic liquids like methanol and water due to hydrogen bonding between solute and solvents. Electronic structure theory methods indeed predict that for PFP-(H{sub 2}O){sub n} clusters (n = 1-11), intensities of a number of πσ{sup ∗} states are enhanced with increase in cluster size. In contrast with emitting behavior of the molecule in the gas phase and solutions of nonpolar and polar aprotic liquids, the fluorescence is completely switched off in polar protic liquids. This behavior is a chemically significant manifestation of perfluoro effect, because a very opposite effect occurs in the case of unsubstituted phenol for which fluorescence yield undergoes a very large enhancement in protic liquids. Several dynamical mechanisms have been suggested to interpret the

  6. Probing the spinor nature of electronic states in nanosize non-collinear magnets

    Science.gov (United States)

    Fischer, Jeison A.; Sandratskii, Leonid M.; Phark, Soo-Hyon; Ouazi, Safia; Pasa, André A.; Sander, Dirk; Parkin, Stuart S. P.

    2016-01-01

    Non-collinear magnetization textures provide a route to novel device concepts in spintronics. These applications require laterally confined non-collinear magnets (NCM). A crucial aspect for potential applications is how the spatial proximity between the NCM and vacuum or another material impacts the magnetization texture on the nanoscale. We focus on a prototypical exchange-driven NCM given by the helical spin order of bilayer Fe on Cu(111). Spin-polarized scanning tunnelling spectroscopy and density functional theory reveal a nanosize- and proximity-driven modification of the electronic and magnetic structure of the NCM in interfacial contact with a ferromagnet or with vacuum. An intriguing non-collinearity between the local magnetization in the sample and the electronic magnetization probed above its surface results. It is a direct consequence of the spinor nature of electronic states in NCM. Our findings provide a possible route for advanced control of nanoscale spin textures by confinement. PMID:27721384

  7. Turbulent relaxation and meta-stable equilibrium states of an electron plasma

    Science.gov (United States)

    Rodgers, Douglas J.

    A Malmberg-Penning electron trap allows for the experimental study of nearly ideal, two-dimensional (2D) inviscid (Euler) hydrodynamics. This is perhaps the simplest case of self organizing nonlinear turbulence, and is therefore a paradigm for dynamo theory, Taylor relaxation, selective decay and other nonlinear fluid processes. The dynamical relaxation of a pure electron plasma in the guiding-center-drift approximation is studied, comparing experiments, numerical simulations and statistical theories of weakly-dissipative 2D turbulence. The nonuniform metastable equilibrium states resulting from turbulent evolution are examined, and are well-described by a maximum entropy principle for constrained circulation, energy, and angular momentum. The turbulent decay of the system is also examined, and a similarity decay law is proposed which incorporates the substantial enstrophy trapped in the metastable equilibrium. This law approaches Batchelor's t-2 self-similar decay in the limit of strong turbulence, and is verified in turbulent evolution in the electron plasma experiment.

  8. Phonon structures in the electronic density of states of graphene in magnetic field

    Science.gov (United States)

    Pound, Adam; Carbotte, J. P.; Nicol, E. J.

    2011-06-01

    Unlike in ordinary metals, in graphene, phonon structure can be seen in the quasiparticle electronic density of states, because the latter varies on the scale of the phonon energy. In a magnetic field, quantization into Landau levels creates even more significant variations. We calculate the density of states incorporating electron-phonon coupling in this case and find that the coupling has pronounced new effects: shifting and broadening of Landau levels, creation of new peaks, and splitting of any Landau levels falling near one of the new peaks. Comparing our calculations with a recent experiment, we find evidence for a phonon with energy similar to but somewhat greater than the optical E2g mode and a coupling corresponding to a mass enhancement parameter λsime0.07.

  9. On large amplitude motions of simplest amides in the ground and excited electronic states

    Science.gov (United States)

    Tukachev, N. V.; Bataev, V. A.; Godunov, I. A.

    2016-12-01

    For the formamide, acetamide, N-methylformamide and N-methylacetamide molecules in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states equilibrium geometry parameters, harmonic vibrational frequencies, barriers to conformational transitions and conformer energy differences were estimated by means of MP2, CCSD(T), CASSCF, CASPT2 and MRCI ab initio methods. One-, two- and three-dimensional potential energy surface (PES) sections corresponding to different large amplitude motions (LAM) were calculated by means of MP2/aug-cc-pVTZ (S0) and CASPT2/cc-pVTZ (S1,T1). For these molecules, in each excited electronic state six minima were found on 2D PES sections. Using PES sections, different anharmonic vibrational problems were solved and the frequencies of large amplitude vibrations were determined.

  10. Tuning Electron Spin States in Quantum Dots by Spin-Orbit Interactions

    Institute of Scientific and Technical Information of China (English)

    LIU Yu; CHENG Fang

    2011-01-01

    @@ We theoretically investigate the influence of both Rashba spin-orbit interaction (RSOI) and Dresselhaus spin- orbit interaction (DSOI) on electron spin states, electron distribution and the optical absorption of a quantum dot.Our theoretical results show that the interplay between RSOI and DSOI results in an effective periodic potential, which consequently breaks the rotational symmetry and makes the quantum dot behave like two laterally coupled quantum dots.In the presence of RSOI and/or DSOI the spin is no longer a conserved quantity and its magnitude can be tuned by changing the strength of RSOI and/or DSOI.By reversing the direction of the perpendicular electric field, we can rotate the spatial distribution.This property provides us with a new way to control quantum states in a quantum dot by electrical means.

  11. Hot electron mediated desorption rates calculated from excited state potential energy surfaces

    CERN Document Server

    Olsen, Thomas; Schiøtz, Jakob

    2008-01-01

    We present a model for Desorption Induce by (Multiple) Electronic Transitions (DIET/DIMET) based on potential energy surfaces calculated with the Delta Self-Consistent Field extension of Density Functional Theory. We calculate potential energy surfaces of CO and NO molecules adsorbed on various transition metal surfaces, and show that classical nuclear dynamics does not suffice for propagation in the excited state. We present a simple Hamiltonian describing the system, with parameters obtained from the excited state potential energy surface, and show that this model can describe desorption dynamics in both the DIET and DIMET regime, and reproduce the power law behavior observed experimentally. We observe that the internal stretch degree of freedom in the molecules is crucial for the energy transfer between the hot electrons and the molecule when the coupling to the surface is strong.

  12. Calculation of the electron structure of vacancies and their compensated states in III-VI semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Mehrabova, M. A., E-mail: Mehrabova@mail.ru; Madatov, R. S. [Azerbaijan National Academy of Sciences, Institute of Radiation Problems (Azerbaijan)

    2011-08-15

    The Green's functions theory and the bond-orbital model are used as a basis for calculations of the electron structure of local defects-specifically, vacancies and their compensated states in III-VI semiconductors. The energy levels in the band gap are established, and the changes induced in the electron densities in the GaS, GaSe, and InSe semiconductors by anion and cation vacancies and their compensated states are calculated. It is established that, if a vacancy is compensated by an atom of an element from the same subgroup with the same tetrahedral coordination and if the ionic radius of the compensating atom is smaller than that of the substituted atom, the local levels formed by the vacancy completely disappear. It is shown that this mechanism of compensation of vacancies provides a means not only for recovering the parameters of the crystal, but for improving the characteristics of the crystal as well.

  13. Electronic states of zigzag graphene nanoribbons with edges reconstructed with topological defects

    Energy Technology Data Exchange (ETDEWEB)

    Pincak, R., E-mail: pincak@saske.sk [Institute of Experimental Physics, Slovak Academy of Sciences, Watsonova 47, 043 53 Kosice (Slovakia); Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region (Russian Federation); Smotlacha, J., E-mail: smota@centrum.cz [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region (Russian Federation); Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University, Brehova 7, 110 00 Prague (Czech Republic); Osipov, V.A., E-mail: osipov@theor.jinr.ru [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region (Russian Federation)

    2015-10-15

    The energy spectrum and electronic density of states (DOS) of zigzag graphene nanoribbons with edges reconstructed with topological defects are investigated within the tight-binding method. In case of the Stone–Wales zz(57) edge the low-energy spectrum is markedly changed in comparison to the pristine zz edge. We found that the electronic DOS at the Fermi level is different from zero at any width of graphene nanoribbons. In contrast, for ribbons with heptagons only at one side and pentagons at another one the energy gap at the Fermi level is open and the DOS is equal to zero. The reason is the influence of uncompensated topological charges on the localized edge states, which are topological in nature. This behavior is similar to that found for the structured external electric potentials along the edges.

  14. Measurement of Integrated Stokes Parameters for He 3 3p State Excited by Spin-Polarized Electrons

    Institute of Scientific and Technical Information of China (English)

    DING Hai-Bing; PANG Wen-Ning; LIU Yi-Bao; SHANG Ren-Cheng

    2005-01-01

    @@ Integrated Stokes parameters Pi (i = 1, 2, 3) for the He 3 3p → 2 3S1 (388.9nm) transition after excitation from the ground state to the 3 3 P state by a transversely spin-polarized electron beam are measured in near threshold energy region. The experimental results are presented. The linear-polarization P2 are consistent with zero over the incident energy range, providing evidence for the LS coupling mechanism of the 3 3P state. The measured circular polarization P3 are non-zero, indicating strong electron-electron exchange effects in the spin-polarized electron-atom collision process.

  15. Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt-Copper Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr., Victor G.; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. (UC); (UMM); (MXPL)

    2016-03-04

    Heterobimetallic complexes that pair cobalt and copper were synthesized and characterized by a suite of physical methods, including X-ray diffraction, X-ray anomalous scattering, cyclic voltammetry, magnetometry, electronic absorption spectroscopy, electron paramagnetic resonance, and quantum chemical methods. Both Cu(II) and Cu(I) reagents were independently added to a Co(II) metalloligand to provide (py3tren)CoCuCl (1-Cl) and (py3tren)CoCu(CH3CN) (2-CH3CN), respectively, where py3tren is the triply deprotonated form of N,N,N-tris(2-(2-pyridylamino)ethyl)amine. Complex 2-CH3CN can lose the acetonitrile ligand to generate a coordination polymer consistent with the formula “(py3tren)CoCu” (2). One-electron chemical oxidation of 2-CH3CN with AgOTf generated (py3tren)CoCuOTf (1-OTf). The Cu(II)/Cu(I) redox couple for 1-OTf and 2-CH3CN is reversible at -0.56 and -0.33 V vs Fc+/Fc, respectively. The copper oxidation state impacts the electronic structure of the heterobimetallic core, as well as the nature of the Co–Cu interaction. Quantum chemical calculations showed modest electron delocalization in the (CoCu)+4 state via a Co–Cu σ bond that is weakened by partial population of the Co–Cu σ antibonding orbital. By contrast, no covalent Co–Cu bonding is predicted for the (CoCu)+3 analogue, and the d-electrons are fully localized at individual metals.

  16. A New Differential Formula About Product of Polynomials and Its Application in Multi-electron State Physics

    Institute of Scientific and Technical Information of China (English)

    FAN Hong-Yi

    2006-01-01

    We derive a new differential formula about a kind of product of polynomials and then apply it to analyze some properties of multi-electron state "related to Laughlin wave function". The entangled state representation for describing electrons in uniform magnetic field is used.

  17. Electron impact excitation of the states of Mg, Ca and Sr atoms: Complete experiment results

    Indian Academy of Sciences (India)

    Sachin Saxena; Kshamata Muktavat; Rajesh Srivastava

    2004-11-01

    We have used non-relativistic and relativistic distorted wave approximation methods to study the excitation of the 1 states of magnesium ( = 3), calcium ( = 4) and strontium ( = 5) from the ground 1 state. Calculations have been performed for the complete set of parameters $(, \\tilde{L}_{\\bot}^{+}, \\tilde{L}_{\\bot}^{-}, \\tilde{}^{+}, \\tilde{}^{-})$. The results are presented for electron impact energies of 20 and 40 eV. We compare our results obtained from both the non-relativistic and relativistic methods with each other. Good agreement is found on comparison and the importance of relativistic effects is also explored.

  18. Fluctuation of the electronic coupling in DNA: Multistate versus two-state model

    Science.gov (United States)

    Voityuk, Alexander A.

    2007-05-01

    The electronic coupling for hole transfer between guanine bases G in the DNA duplex (GT) 6GTG(TG) 6 is studied using a QM/MD approach. The coupling V is calculated for 10 thousand snapshots within the two- and multistate state Generalized Mulliken-Hush model. We find that the two-state scheme considerably underestimates the rate of the hole transfer within the π stack. Moreover, the probability distributions computed with the two- and multistate schemes are quite different. It has been found that large fluctuations of V2, which are at least an order of magnitude larger than its average value, occur roughly every 1 ps.

  19. Superexcited states of carbon monoxide studied by fast-electron impact

    Institute of Scientific and Technical Information of China (English)

    Fan Lan-Lan; Zhong Zhi-Ping; Zhu Lin-Fan; Liu Xiao-Jing; Cheng Hua-Dong; Yuan Zhen-Sheng; Xu Ke-Zun

    2005-01-01

    Absolute optical oscillator strength density and double differential cross section spectra of CO below 120 eV are determined by fast electron impact. Some peaks above the first ionization threshold stand out as the momentum transfer square K2 increases. The doubly excited Rydberg states converging to C 2∑+, D 2Π, and F 2Π states of CO+, respectively, are confirmed in our spectra. Another peak at around 32eV is assigned to the transition of (3σ)-1(2π)1 1Π← X1∑+.

  20. Obstacles and opportunities in the commercialization of the solid-state-electronic fluorescent-lighting ballast

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, D.R.; Marcus, A.A.; Campbell, R.S.; Sommers, P.; Skumatz, L.; Berk, B.; Petty, P.; Eschbach, C.

    1981-10-01

    The Solid State Ballast (SSB) Program, aimed at improving the efficiency of fluorescent lights, is described. The first generation of solid state electronic ballasts has been developed and the technology has been transferred to the private sector. This report examines the opportunities for rapid dissemination of this technology into the marketplace. It includes a description of product characteristics and their influence on the commercialization of the SSB, a description of the technology delivery system presently used by the ballast industry, an analysis of the market for SSB, and identification of some high-leverage opportunities to accelerate the commercialization process. (MCW)

  1. On controlling the electronic states of shallow donors using a finite-size metal gate

    Energy Technology Data Exchange (ETDEWEB)

    Levchuk, E. A., E-mail: liauchuk@bsu.by; Makarenko, L. F. [Belarusian State University (Belarus)

    2016-01-15

    The effect of an external electric field on the states of a shallow donor near a semiconductor surface is numerically simulated. A disk-shaped metal gate is considered as an electric-field source. The wavefunctions and energies of bound states are determined by the finite-element method. The critical characteristics of electron relocation between the donor and gate are determined for various gate diameters and boundary conditions, taking into account dielectric mismatch. The empirical dependences of these characteristics on the geometrical parameters and semiconductor properties are obtained. A simple trial function is proposed, which can be used to calculate the critical parameters using the Ritz variational method.

  2. The Generalized Coherent State ansatz: Application to quantum electron-vibrational dynamics

    Science.gov (United States)

    Borrelli, Raffaele; Gelin, Maxim F.

    2016-12-01

    A new ansatz for molecular vibronic wave functions based on a superposition of time-dependent Generalized Coherent States is developed and analysed. The methodology is specifically tailored to describe the time evolution of the wave function of a system in which several interacting electronic states are coupled to a bath of harmonic oscillators. The equations of motion for the wave packet parameters are obtained by using the Dirac-Frenkel time-dependent variational principle. The methodology is used to describe the quantum dynamical behavior of a model polaron system and its scaling and convergence properties are discussed and compared with numerically exact results.

  3. Probing of local electron states by laser terahertz radiation in PbTe(Ga)

    Energy Technology Data Exchange (ETDEWEB)

    Egorova, S.G.; Chernichkin, V.I. [Faculty of Physics, M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Ryabova, L.I. [Faculty of Chemistry, M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Danilov, S.N. [Faculty of Physics, University of Regensburg, Regensburg D-93040 (Germany); Nicorici, A.V. [Institute of Applied Physics, Kishinev MD-2028, Republic of Moldova (Moldova, Republic of); Khokhlov, D.R., E-mail: khokhlov@mig.phys.msu.ru [Faculty of Physics, M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); P.N. Lebedev Physical Institute of the Russian Academy of Sciences, Moscow 119991 (Russian Federation)

    2014-12-05

    Highlights: • We report on unusual photoconductivity under terahertz laser pulses in PbTe(Ga). • The kinetics and the sign of the photosignal depend on the photoexcitation level. • This is due to formation of local states in the vicinity of the quasi-Fermi level. • These local electron states may lie only on the background of an allowed energy band. - Abstract: We report on unusual photoconductivity under the action of strong terahertz laser pulses in PbTe(Ga) single crystals at low temperatures. The character and even the sign on the photosignal depends on the level of photoexcitation: the photoconductivity is positive and persistent at high degrees of excitation, whereas it is negative and non-persistent at low levels of excitation. We show that this non-trivial photoelectric behaviour is due to formation of local electron states in the close vicinity of the quasi-Fermi level. These local states may be formed only when the quasi-Fermi level lies on the background of an allowed energy band with a relatively high density of states.

  4. Quantum State Transfer from a Single Photon to a Distant Quantum-Dot Electron Spin

    Science.gov (United States)

    He, Yu; He, Yu-Ming; Wei, Yu-Jia; Jiang, Xiao; Chen, Kai; Lu, Chao-Yang; Pan, Jian-Wei; Schneider, Christian; Kamp, Martin; Höfling, Sven

    2017-08-01

    Quantum state transfer from flying photons to stationary matter qubits is an important element in the realization of quantum networks. Self-assembled semiconductor quantum dots provide a promising solid-state platform hosting both single photon and spin, with an inherent light-matter interface. Here, we develop a method to coherently and actively control the single-photon frequency bins in superposition using electro-optic modulators, and measure the spin-photon entanglement with a fidelity of 0.796 ±0.020 . Further, by Greenberger-Horne-Zeilinger-type state projection on the frequency, path, and polarization degrees of freedom of a single photon, we demonstrate quantum state transfer from a single photon to a single electron spin confined in an InGaAs quantum dot, separated by 5 m. The quantum state mapping from the photon's polarization to the electron's spin is demonstrated along three different axes on the Bloch sphere, with an average fidelity of 78.5%.

  5. Quantum State Transfer from a Single Photon to a Distant Quantum-Dot Electron Spin.

    Science.gov (United States)

    He, Yu; He, Yu-Ming; Wei, Yu-Jia; Jiang, Xiao; Chen, Kai; Lu, Chao-Yang; Pan, Jian-Wei; Schneider, Christian; Kamp, Martin; Höfling, Sven

    2017-08-11

    Quantum state transfer from flying photons to stationary matter qubits is an important element in the realization of quantum networks. Self-assembled semiconductor quantum dots provide a promising solid-state platform hosting both single photon and spin, with an inherent light-matter interface. Here, we develop a method to coherently and actively control the single-photon frequency bins in superposition using electro-optic modulators, and measure the spin-photon entanglement with a fidelity of 0.796±0.020. Further, by Greenberger-Horne-Zeilinger-type state projection on the frequency, path, and polarization degrees of freedom of a single photon, we demonstrate quantum state transfer from a single photon to a single electron spin confined in an InGaAs quantum dot, separated by 5 m. The quantum state mapping from the photon's polarization to the electron's spin is demonstrated along three different axes on the Bloch sphere, with an average fidelity of 78.5%.

  6. 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.

  7. Coherent commensurate electronic states at the interface between misoriented graphene layers

    Science.gov (United States)

    Koren, Elad; Leven, Itai; Lörtscher, Emanuel; Knoll, Armin; Hod, Oded; Duerig, Urs

    2016-09-01

    Graphene and layered materials in general exhibit rich physics and application potential owing to their exceptional electronic properties, which arise from the intricate π-orbital coupling and the symmetry breaking in twisted bilayer systems. Here, we report room-temperature experiments to study electrical transport across a bilayer graphene interface with a well-defined rotation angle between the layers that is controllable in situ. This twisted interface is artificially created in mesoscopic pillars made of highly oriented pyrolytic graphite by mechanical actuation. The overall measured angular dependence of the conductivity is consistent with a phonon-assisted transport mechanism that preserves the electron momentum of conduction electrons passing the interface. The most intriguing observations are sharp conductivity peaks at interlayer rotation angles of 21.8° and 38.2°. These angles correspond to a commensurate crystalline superstructure leading to a coherent two-dimensional (2D) electronic interface state. Such states, predicted by theory, form the basis for a new class of 2D weakly coupled bilayer systems with hitherto unexplored properties and applications.

  8. On the bonding nature of electron states for the Fe-Mo double perovskite

    Science.gov (United States)

    Carvajal, E.; Oviedo-Roa, R.; Cruz-Irisson, M.; Navarro, O.

    2014-05-01

    The electronic transport as well as the effect of an external magnetic field has been investigated on manganese-based materials, spinels and perovskites. Potential applications of double perovskites go from magnetic sensors to electrodes in solid-oxide fuel cells; besides the practical interests, it is known that small changes in composition modify radically the physical properties of double perovskites. We have studied the Sr2FeMoO6 double perovskite compound (SFMO) using first-principles density functional theory. The calculations were done within the generalized gradient approximation (GGA) scheme with the Perdew-Burke-Ernzerhof (PBE) functional. We have made a detailed analysis of each electronic state and the charge density maps around the Fermi level. For the electronic properties of SFMO it was used a primitive cell, for which we found the characteristic half-metallic behavior density of states composed by eg and t2g electrons from Fe and Mo atoms. Those peaks were tagged as bonding or antibonding around the Fermi level at both, valence and conduction bands.

  9. On the bonding nature of electron states for the Fe-Mo double perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Carvajal, E.; Cruz-Irisson, M. [ESIME-Culhuacán, Instituto Politécnico Nacional, Av. Santa Ana 1000, C.P. 04430, México, D.F. (Mexico); Oviedo-Roa, R. [Programa de Investigación en Ingeniería Molecular, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas Norte 152, C.P. 07730, México, D.F. (Mexico); Navarro, O. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, A.P. 70-360, 04510, México, D.F. (Mexico)

    2014-05-15

    The electronic transport as well as the effect of an external magnetic field has been investigated on manganese-based materials, spinels and perovskites. Potential applications of double perovskites go from magnetic sensors to electrodes in solid-oxide fuel cells; besides the practical interests, it is known that small changes in composition modify radically the physical properties of double perovskites. We have studied the Sr{sub 2}FeMoO{sub 6} double perovskite compound (SFMO) using first-principles density functional theory. The calculations were done within the generalized gradient approximation (GGA) scheme with the Perdew-Burke-Ernzerhof (PBE) functional. We have made a detailed analysis of each electronic state and the charge density maps around the Fermi level. For the electronic properties of SFMO it was used a primitive cell, for which we found the characteristic half-metallic behavior density of states composed by e{sub g} and t{sub 2g} electrons from Fe and Mo atoms. Those peaks were tagged as bonding or antibonding around the Fermi level at both, valence and conduction bands.

  10. Interaction-driven distinctive electronic states of artificial atoms at the ZnO interface

    Science.gov (United States)

    Chakraborty, Tapash; Manaselyan, Aram; Barseghyan, Manuk

    2017-06-01

    We have investigated the electronic states of planar quantum dots at the ZnO interface containing a few interacting electrons in an externally applied magnetic field. The electron-electron interaction effects are expected to be much stronger in this case than in traditional semiconductor quantum systems, such as in GaAs or InAs quantum dots. In order to highlight that stronger Coulomb effects in the ZnO quantum dots, we have compared the energy spectra and the magnetization in this system to those of the InAs quantum dots. We have found that in the ZnO quantum dots the signatures of stronger Coulomb interaction manifests in an unique ground state that has very different properties than the corresponding ones in the InAs dot. Our results for the magnetization also exhibits behaviors never before observed in a quantum dot for a realistic set of parameters. We have found a stronger temperature dependence and other unexpected features, such as paramagnetic-like behavior at high temperatures for a quantum-dot helium.

  11. Density of states in a two-dimensional electron gas: Impurity bands and band tails

    Science.gov (United States)

    Gold, A.; Serre, J.; Ghazali, A.

    1988-03-01

    We calculate the density of states of a two-dimensional electron gas in the presence of charged impurities within Klauder's best multiple-scattering approach. The silicon metal-oxide-semiconductor (MOS) system with impurities at the interface is studied in detail. The finite extension of the electron wave function into the bulk is included as well as various dependences of the density of states on the electron, the depletion, and the impurity densities. The transition from an impurity band at low impurity concentration to a band tail at high impurity concentration is found to take place at a certain impurity concentration. If the screening parameter of the electron gas is decreased, the impurity band shifts to lower energy. For low impurity density we find excited impurity bands. Our theory at least qualitatively explains conductivity and infrared-absorption experiments on impurity bands in sodium-doped MOS systems and deep band tails in the gap observed for high doping levels in these systems.

  12. Application of Plane Wave Method to the Calculation of Electronic States of Nano-Structures

    Institute of Scientific and Technical Information of China (English)

    LI Shu-Shen; XIA Jian-Bai

    2006-01-01

    @@ The electronic states of nano-structures are studied in the framework of effective-mass envelope-function theory using the plane wave basis. The barrier width and the number of plane waves are proposed to be 2.5 times the effective Bohr radius and 15n, respectively, for n-dimensional nano-structures (n = 1, 2, 3). Our proposals can be widely applied in the design of various nano-structure devices.

  13. A Practical and Portable Solids-State Electronic Terahertz Imaging System

    OpenAIRE

    Ken Smart; Jia Du; Li Li; David Wang; Keith Leslie; Fan Ji; Xiang Dong Li; Da Zhang Zeng

    2016-01-01

    A practical compact solid-state terahertz imaging system is presented. Various beam guiding architectures were explored and hardware performance assessed to improve its compactness, robustness, multi-functionality and simplicity of operation. The system performance in terms of image resolution, signal-to-noise ratio, the electronic signal modulation versus optical chopper, is evaluated and discussed. The system can be conveniently switched between transmission and reflection mode according to...

  14. Quenching of the excited state of hydrated Europium(III) ions by electron transfer

    Energy Technology Data Exchange (ETDEWEB)

    Christensen, K.

    1993-08-01

    This thesis explores the oxidation-reduction chemistry of the excited state of Eu(III) ions, *Eu{sub aq}{sup 3+}, in aqueous solutions. Evidence is presented for the quenching of *Eu{sup 3+} by reductive electron transfer. It is concluded that *Eu{sup 3+} is not a strong energy transfer reagent. The reactivity of *Eu{sub aq}{sup 3+} is compared with that of *UO{sub 2}{sup 2+}.

  15. Sublattice Localized Electronic States in Atomically Resolved Graphene-Pt(111) Edge-Boundaries

    OpenAIRE

    Merino-Mateo, Pablo; Pinardi, Anna Lisa; Méndez, Javier; López, María Francisca; Pérez, Rubén; Martín-Gago, José A.

    2014-01-01

    Understanding the connection of graphene with metal surfaces is a necessary step for developing atomically precise graphene-based technology. Combining high-resolution STM experiments and DFT calculations, we have unambiguously unveiled the atomic structure of the boundary between a graphene zigzag edge and a Pt(111) step. The graphene edges minimize their strain by inducing a 3-fold edge-reconstruction on the metal side. We show the existence of an unoccupied electronic state that is mostly ...

  16. Steady-state properties of driven magnetic reconnection in 2D electron magnetohydrodynamics.

    Science.gov (United States)

    Chacón, L; Simakov, Andrei N; Zocco, A

    2007-12-07

    We formulate a rigorous nonlinear analytical model that describes the dynamics of the diffusion (reconnection) region in driven systems in the context of electron magnetohydrodynamics (EMHD). A steady-state analysis yields allowed geometric configurations and associated reconnection rates. In addition to the well-known open X-point geometry, elongated configurations are found possible. The model predictions have been validated numerically with two-dimensional EMHD nonlinear simulations, and are in excellent agreement with previously published work.

  17. Electronic States of Elliptical Quantum Rings Subjected to a Magnetic Field

    Institute of Scientific and Technical Information of China (English)

    LI Hai-Tao; LIU Li-Zhe; LIU Jian-Jun

    2008-01-01

    We calculate the energy states and Aharonov-Bohm oscillations of an electron in elliptical quantum rings in the presence of a uniform magnetic field by using an exact numerical diagonalization. The calculated results show that the elliptical quantum rings are flatter, larger amplitudes and periods of the Aharonov-Bohm oscillations are observed. In addition, in the limits of a circular quantum ring, the results of our approach are in good agreement with those of earlier theories.

  18. Ground-state energy of the electron liquid in ultrathin wires.

    Science.gov (United States)

    Fogler, Michael M

    2005-02-11

    The ground-state energy and the density correlation function of the electron liquid in a thin one-dimensional wire are computed. The calculation is based on an approximate mapping of the problem with a realistic Coulomb interaction law onto exactly solvable models of mathematical physics. This approach becomes asymptotically exact in the limit of a small wire radius but remains numerically accurate even for modestly thin wires.

  19. Electronic states of neutral and ionized tetrahydrofuran studied by VUV spectroscopy and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Giuliani, A. [Synchrotron Soleil, DISCO beamline, L' Orme des Merisiers, 91 - Gif-sur-Yvette (France); Giuliani, A. [Cepia, Institut National de la Recherche Agronomique (INRA), 44 - Nantes (France); Limiao-Vieira, P. [Lisboa Univ. Nova, Lab. de Colisoes Atomicas e Moleculares, CEFITEC, Dept. de Fysica, Caparica (Portugal); Limao-Vieira, P.; Mason, N. [Open Univ., Centre of Molecular and Optical Sciences, Dept. of Physics and Astronomy, Milton Keynes, MK (United Kingdom); Duflot, D. [Lille Univ. des Sciences et Technologies, Lab. de Physique des Lasers, Atomes et Molecules (PhLAM), UMR CNRS 8523, Centre d' Etudes et de Recherches Lasers et Applications, CERLA, FR CNRS 2416, 59 - Villeneuve d' Ascq (France); Milosavljevic, A.R.; Marinkovic, B.P. [Laboratory for atomic collision processes, Institute of Physics, Belgrade, Serbia (Yugoslavia); Hoffmann, S.V. [Aarhus Univ., Institute for Storage Ring Facilities (Denmark); Delwiche, J.; Hubin-Franskin, M.J. [Liege Univ., Laboratoire de Spectroscopie d' Electrons Diffuses, Institut de Chimie (Belgium)

    2009-01-15

    The electronic spectroscopy of isolated tetrahydrofuran (THF) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 5.8 - 10.6 eV with absolute cross-section measurements derived. In addition, an electron energy loss spectrum was recorded at 100 eV and 10 degrees over the 5 - 11.4 eV range. The He(I) photoelectron spectrum was also collected to quantify ionisation energies in the 9 - 16.1 eV spectral region. These experiments are supported by the first high-level ab initio calculations performed on the excited states of the neutral molecule and on the ground state of the positive ion. The excellent agreement between the theoretical results and the measurements allows us to solve several discrepancies concerning the electronic state spectroscopy of THF. The present work reconsiders the question of the lowest energy conformers of the molecule and its population distribution at room temperature. (authors)

  20. Proton coupled electron transfer from the excited state of a ruthenium(II) pyridylimidazole complex.

    Science.gov (United States)

    Pannwitz, Andrea; Wenger, Oliver S

    2016-04-28

    Proton coupled electron transfer (PCET) from the excited state of [Ru(bpy)2pyimH](2+) (bpy = 2,2'-bipyridine; pyimH = 2-(2'-pyridyl)imidazole) to N-methyl-4,4'-bipyridinium (monoquat, MQ(+)) was studied. While this complex has been investigated previously, our study is the first to show that the formal bond dissociation free energy (BDFE) of the imidazole-N-H bond decreases from (91 ± 1) kcal mol(-1) in the electronic ground state to (43 ± 5) kcal mol(-1) in the lowest-energetic (3)MLCT excited state. This makes the [Ru(bpy)2pyimH](2+) complex a very strong (formal) hydrogen atom donor even when compared to metal hydride complexes, and this is interesting for light-driven (formal) hydrogen atom transfer (HAT) reactions with a variety of different substrates. Mechanistically, formal HAT between (3)MLCT excited [Ru(bpy)2pyimH](2+) and monoquat in buffered 1 : 1 (v : v) CH3CN/H2O was found to occur via a sequence of reaction steps involving electron transfer from Ru(ii) to MQ(+) coupled to release of the N-H proton to buffer base, followed by protonation of reduced MQ(+) by buffer acid. Our study is relevant in the larger contexts of photoredox catalysis and light-to-chemical energy conversion.

  1. Electronically excited states of chloroethylenes: Experiment and DFT calculations in comparison

    Energy Technology Data Exchange (ETDEWEB)

    Khvostenko, O.G., E-mail: khv@mail.ru

    2014-08-15

    Highlights: • B3LYP/6-311 + G(d,p) calculations of chloroethylenes molecules were performed. • Calculations were correlated with experiment on the molecules ground and excited states. • The general pattern of electron structure of chloroethylenes was obtained. • Necessity of this data for chloroethylenes negative ions study was noted. - Abstract: B3LYP/6-311 + G(d,p) calculations of ground and electronically excited states of ethylene, chloroethylene, 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans trichloroethylene and tetrachloroethylene molecules have been performed. Molecular orbitals images and orbital correlation diagram are given. The calculation results for chloroethylenes electronically excited states were compared with experimental data from the energy-loss spectra obtained and generally considered previously by C.F. Koerting, K.N. Walzl and A. Kupperman. Several new additional triplet and singlet transitions were pointed out in these spectra considering the calculation results. The finding of the additional transitions was supported by the UV absorption spectrum of trichloroethylene recorded in big cuvette (10 cm), where the first three triplet and two low-intensive forbidden singlet transitions were registered. The first triplet of this compound was recorded to be at the same energy as was found with the energy-loss spectroscopy.

  2. Electronic state of ruthenium deposited onto oxide supports: An XPS study taking into account the final state effects

    Science.gov (United States)

    Larichev, Yurii V.; Moroz, Boris L.; Bukhtiyarov, Valerii I.

    2011-12-01

    The electronic state of ruthenium in the supported Ru/EOx (EOx = MgO, Al2O3 or SiO2) catalysts prepared by with the use of Ru(OH)Cl3 or Ru(acac)3 (acac = acetylacetonate) and reduced with H2 at 723 K is characterized by X-ray photoelectron spectroscopy (XPS) in the Ru 3d, Cl 2p and O 1s regions. The influence of the final state effects (the differential charging and variation of the relaxation energy) on the binding energy (BE) of Ru 3d5/2 core level measured for supported Ru nanoparticles is estimated by comparison of the Fermi levels and the modified Auger parameters determined for the Ru/EOx samples with the corresponding characteristics of the bulk Ru metal. It is found that the negative shift of the Ru 3d5/2 peak which is observed in the spectrum of ruthenium deposited onto MgO (BE = 279.5-279.7 eV) with respect to that of Ru black (BE = 280.2 eV) or ruthenium supported on γ-Al2O3 and SiO2 (BE = 280.4 eV) is caused not by the transfer of electron density from basic sites of MgO, as considered earlier, but by the differential charging of the supported Ru particles compared with the support surface. Correction for the differential charging value reveals that the initial state energies of ruthenium in the Ru/EOx systems are almost identical (BE = 280.5 ± 0.1 eV) irrespectively of acid-base properties of the support, the mean size of supported Ru crystallites (within the range of 2-10 nm) and the surface Cl content. The results obtained suggest that the difference in ammonia synthesis activity between the Ru catalysts supported on MgO and on the acidic supports is accounted for by not different electronic state of ruthenium on the surface of these oxides but by some other reasons.

  3. Correlated electron state in CeCu2Si2 controlled through Si to P substitution

    Science.gov (United States)

    Lai, Y.; Saunders, S. M.; Graf, D.; Gallagher, A.; Chen, K.-W.; Kametani, F.; Besara, T.; Siegrist, T.; Shekhter, A.; Baumbach, R. E.

    2017-08-01

    CeCu2Si2 is an exemplary correlated electron metal that features two domes of unconventional superconductivity in its temperature-pressure phase diagram. The first dome surrounds an antiferromagnetic quantum critical point, whereas the more exotic second dome may span the termination point of a line of f -electron valence transitions. This behavior has received intense interest, but what has been missing are ways to access the high pressure behavior under milder conditions. Here we study Si → P chemical substitution, which compresses the unit cell volume but simultaneously weakens the hybridization between the f - and conduction electron states and encourages complex magnetism. At concentrations that show magnetism, applied pressure suppresses the magnetic ordering temperature and superconductivity is recovered for samples with low disorder. These results reveal that the electronic behavior in this system is controlled by a nontrivial combination of effects from unit cell volume and electronic shell filling. Guided by this topography, we discuss prospects for uncovering a valence fluctuation quantum phase transition in the broader family of Ce-based ThCr2Si2 -type materials through chemical substitution.

  4. Genetics Home Reference: age-related macular degeneration

    Science.gov (United States)

    ... Resources (3 links) BrightFocus Foundation: Macular Degeneration Treatment Macular Degeneration Partnership: Low Vision Rehabilitation Prevent Blindness America: Age-Related Macular Degeneration (AMD) ...

  5. The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

    KAUST Repository

    Song, Yin

    2015-06-07

    © 2015 AIP Publishing LLC. Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S (λ 1, T∼ 2, λ 3)) along the population time (T∼ 2) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S (λ 1, ν∼ 2, λ 3)). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ ν∼ 2) in the rephasing beating map and at negative frequency (- ν∼ 2) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems.

  6. Measuring electron-impact cross sections of water: elastic scattering and electronic excitation of the ã3B1 and Ã1B1 states

    Science.gov (United States)

    Matsui, Midori; Hoshino, Masamitsu; Kato, Hidetoshi; Ferreira da Silva, Fillipe; Limão-Vieira, Paulo; Tanaka, Hiroshi

    2016-04-01

    Here, we report elastic differential cross sections (DCSs) for electron scattering from water in the incident energy range of 2-100 eV. Furthermore, we present a complete study on the electronic excitation of the ã3B1 and Ã1B1 states at electron impact energies of 15, 20, and 30 eV and in the scattering angle range of 10° - 130°. Integral cross sections (ICSs) are determined from the DCSs. Measuring elastic DCSs in various experimental conditions confirmed the reproducibility of the data. The present results agree with the data previously obtained from a conventional collimating tube gas source. Ambiguities associated with the unfolding procedure of the electron energy loss (EEL) spectra for the electronic excitations have been reduced by comparison against the EEL spectrum at high electron impact energy and for small scattering angle. The reliability of the extracted DCSs is improved significantly for optically forbidden contributions from the overlap of the ã3B1 and Ã1B1 electronic states. The BEf-scaling model is also confirmed to produce the integral cross section for the optical allowed transition of the Ã1B1 state in the intermediate electron energy region above 15 eV.

  7. Degenerate parametric oscillation in quantum membrane optomechanics

    Science.gov (United States)

    Benito, Mónica; Sánchez Muñoz, Carlos; Navarrete-Benlloch, Carlos

    2016-02-01

    The promise of innovative applications has triggered the development of many modern technologies capable of exploiting quantum effects. But in addition to future applications, such quantum technologies have already provided us with the possibility of accessing quantum-mechanical scenarios that seemed unreachable just a few decades ago. With this spirit, in this work we show that modern optomechanical setups are mature enough to implement one of the most elusive models in the field of open system dynamics: degenerate parametric oscillation. Introduced in the eighties and motivated by its alleged implementability in nonlinear optical resonators, it rapidly became a paradigm for the study of dissipative phase transitions whose corresponding spontaneously broken symmetry is discrete. However, it was found that the intrinsic multimode nature of optical cavities makes it impossible to experimentally study the model all the way through its phase transition. In contrast, here we show that this long-awaited model can be implemented in the motion of a mechanical object dispersively coupled to the light contained in a cavity, when the latter is properly driven with multichromatic laser light. We focus on membranes as the mechanical element, showing that the main signatures of the degenerate parametric oscillation model can be studied in state-of-the-art setups, thus opening the possibility of analyzing spontaneous symmetry breaking and enhanced metrology in one of the cleanest dissipative phase transitions. In addition, the ideas put forward in this work would allow for the dissipative preparation of squeezed mechanical states.

  8. State of the art in atomic resolution off-axis electron holography

    Energy Technology Data Exchange (ETDEWEB)

    Linck, Martin, E-mail: mlinck@lbl.gov [Triebenberg Laboratory, Institute of Structure Physics, Technische Universitaet Dresden, Zum Triebenberg 50, 01328 Dresden (Germany); Freitag, Bert; Kujawa, Stephan [FEI Company, Eindhoven, Building AAE, Achtseweg Noord 5, P.O. Box 80066, 5600 KA Eindhoven (Netherlands); Lehmann, Michael; Niermann, Tore [Institut fuer Optik und Atomare Physik, Technische Universitaet Berlin, Strasse des 17. Juni 135, 10623 Berlin (Germany)

    2012-05-15

    As proposed by Hannes Lichte, to resolve structure-property relations not only the question 'Which atom is where?' but also the question 'Which fields are around?' has to be answered. High-resolution off-axis electron holography opens up an access to these key questions in that it allows accessing the complete exit-wave of the object provided within the information limit of the microscope, i.e. amplitude and phase including atomic details such as position and species, and moreover, information about large area electric potentials and magnetic fields, which a conventional transmission electron microscope is blind for-also when using a Cs-corrector. For an excellent object exit-wave reconstruction, special care has to be taken on the hologram quality, i.e. interference fringe contrast and electron dose. Severe restrictions are given to signal resolution by the limited brightness of the electron source. Utilizing a new high-brightness Schottky field electron emitter in a state-of-the-art transmission electron microscope operated at 300 kV, the phase signal resolution at atomic resolution can significantly be enhanced. An improvement by at least a factor of 2.88 compared to the most recently reported single hologram at atomic resolution is found. To proof the applicability of this setup to real materials science problems, a grain boundary of gold has been investigated holographically. -- Highlights: Black-Right-Pointing-Pointer Impact of the brightness on the reconstructed signal in electron holography. Black-Right-Pointing-Pointer Factor 2.8 gain in signal quality by setup with a high brightness electron gun. Black-Right-Pointing-Pointer Investigation of a grain boundary in gold with a state-of-the-art holography setup. Black-Right-Pointing-Pointer A-posteriori aberration fine-tuning for true one Angstrom resolution in the object wave. Black-Right-Pointing-Pointer Mistilt analysis on the atomic scale by numerical wave optics.

  9. Gribov ambiguity and degenerate systems

    CERN Document Server

    Canfora, Fabrizio; Salgado-Rebolledo, Patricio; Zanelli, Jorge

    2014-01-01

    The relation between Gribov ambiguity and degeneracies in the symplectic structure of physical systems is analyzed. It is shown that, in finite-dimensional systems, the presence of Gribov ambiguities in regular constrained systems (those where the constraints are functionally independent) always leads to a degenerate symplectic structure upon Dirac reduction. The implications for the Gribov-Zwanziger approach to QCD are discussed.

  10. Experimental and Quantum-Chemical Study of Electronically Excited States of Protolytic Isovanillin Species

    Science.gov (United States)

    Vusovich, O. V.; Tchaikovskaya, O. N.; Sokolova, I. V.; Vasil'eva, N. Yu.

    2014-05-01

    Methods of electronic spectroscopy and quantum chemistry are used to compare protolytic vanillin and isovanillin species. Three protolytic species: anion, cation, and neutral are distinguished in the ground state of the examined molecules. Vanillin and isovanillin in the ground state in water possess identical spectral characteristics: line positions and intensities in the absorption spectra coincide. Minima of the electrostatic potential demonstrate that the deepest isomer minimum is observed on the carbonyl oxygen atom. However, investigations of the fluorescence spectra show that the radiative properties of isomers differ. An analysis of results of quantum-chemical calculations demonstrate that the long-wavelength ππ* transition in the vanillin absorption spectra is formed due to electron charge transfer from the phenol part of the molecule to oxygen atoms of the methoxy and carbonyl groups, and in the isovanillin absorption spectra, it is formed only on the oxygen atom of the methoxy group. The presence of hydroxyl and carbonyl groups in the structure of the examined molecules leads to the fact that isovanillin in the ground S0 state, the same as vanillin, possesses acidic properties, whereas in the excited S1 state, they possess basic properties. A comparison of the рKа values of aqueous solutions demonstrates that vanillin possesses stronger acidic and basic properties in comparison with isovanillin.

  11. Stark effect of interfering electronic states: Localization of the nπ* excitations in toluquinone

    Science.gov (United States)

    Galaup, J. P.; Trommsdorff, H. P.

    1984-04-01

    High-precision Stark measurements on oriented single crystals of toluquinone at low temperatures have been performed and lead to an assessment of the electronic parenthood of the levels giving rise to the complex spectral region of interference between the two nearby nπ* excited states. The origin bands of the lowest excited singlet and triplet states are characterized by a measure of their factor-group splittings and an evaluation of the change in dipole moment and in polarizability upon excitation. The value of the change in dipole moment is shown to vary strongly between different vibrational levels of the lower state and an evaluation of the degree of localization of the electronic excitation on one CO group is made. The previous assignment of the second nπ* state is confirmed by the sign of the corresponding Stark shift. From measurements on crystals having been oriented in an electric field the absolute orientation of the polar crystal as well as the sign of the pyroelectric coefficient are proposed.

  12. Defect induced electronic states and magnetism in ball-milled graphite.

    Science.gov (United States)

    Milev, Adriyan; Dissanayake, D M A S; Kannangara, G S K; Kumarasinghe, A R

    2013-10-14

    The electronic structure and magnetism of nanocrystalline graphite prepared by ball milling of graphite in an inert atmosphere have been investigated using valence band spectroscopy (VB), core level near-edge X-ray absorption fine structure (NEXAFS) spectroscopy and magnetic measurements as a function of the milling time. The NEXAFS spectroscopy of graphite milled for 30 hours shows simultaneous evolution of new states at ~284.0 eV and at ~290.5 eV superimposed upon the characteristic transitions at 285.4 eV and 291.6 eV, respectively. The modulation of the density of states is explained by evolution of discontinuities within the sheets and along the fracture lines in the milled graphite. The magnetic measurements in the temperature interval 2-300-2 K at constant magnetic field strength show a correlation between magnetic properties and evolution of the new electronic states. With the reduction of the crystallite sizes of the graphite fragments, the milled material progressively changes its magnetic properties from diamagnetic to paramagnetic with contributions from both Pauli and Curie paramagnetism due to the evolution of new states at ~284 and ~290.5 eV, respectively. These results indicate that the magnetic behaviour of ball-milled graphite can be manipulated by changing the milling conditions.

  13. Electronic relaxation of deep bulk trap and interface state in ZnO ceramics

    Institute of Scientific and Technical Information of China (English)

    Yang Yan; Li Sheng-Tao; Ding Can; Cheng Peng-Fei

    2011-01-01

    This paper investigates the electronic relaxation of deep bulk trap and interface state in ZnO ceramics based on dielectric spectra measured in a wide range of temperature, frequency and bias, in addition to the steady state response. It discusses the nature of net current flowing over the barrier affected by interface state, and then obtains temperature-dependent barrier height by approximate calculation from steady Ⅰ-Ⅴ (current-voltage) characteristics. Additional conductance and capacitance arising from deep bulk trap relaxation are calculated based on the displacement of the cross point between deep bulk trap and Fermi level under small AC signal. Prom the resonances due to deep bulk trap relaxation on dielectric spectra, the activation energies are obtained as 0.22 eV and 0.35 eV, which are consistent with the electronic levels of the main defect interstitial Zn and vacancy oxygen in the depletion layer. Under moderate bias, another resonance due to interface relaxation is shown on the dielectric spectra. The DC-like conductance is also observed in high temperature region on dielectric spectra, and the activation energy is much smaller than the barrier height in steady state condition, which is attributed to the displacement current coming from the shallow bulk trap relaxation or other factors.

  14. Real-space Mapping of Surface Trap States in CIGSe Nanocrystals using 4D Electron Microscopy

    KAUST Repository

    Bose, Riya

    2016-05-26

    Surface trap states in semiconductor copper indium gallium selenide nanocrystals (NCs) which serve as undesirable channels for non-radiative carrier recombination, remain a great challenge impeding the development of solar and optoelectronics devices based on these NCs. In order to design efficient passivation techniques to minimize these trap states, a precise knowledge about the charge carrier dynamics on the NCs surface is essential. However, selective mapping of surface traps requires capabilities beyond the reach of conventional laser spectroscopy and static electron microscopy; it can only be accessed by using a one-of-a-kind, second-generation four-dimensional scanning ultrafast electron microscope (4D S-UEM) with sub-picosecond temporal and nanometer spatial resolutions. Here, we precisely map the surface charge carrier dynamics of copper indium gallium selenide NCs before and after surface passivation in real space and time using S-UEM. The time-resolved snapshots clearly demonstrate that the density of the trap states is significantly reduced after zinc sulfide (ZnS) shelling. Furthermore, removal of trap states and elongation of carrier lifetime are confirmed by the increased photocurrent of the self-biased photodetector fabricated using the shelled NCs.

  15. Full control of quadruple quantum dot circuit charge states in the single electron regime

    Energy Technology Data Exchange (ETDEWEB)

    Delbecq, M. R., E-mail: matthieu.delbecq@riken.jp; Nakajima, T.; Otsuka, T.; Amaha, S. [RIKEN, Center for Emergent Matter Science, 3-1 Wako-shi, Saitama 351-0198 (Japan); Watson, J. D. [Department of Physics, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Manfra, M. J. [Department of Physics, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); School of Materials Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Tarucha, S. [RIKEN, Center for Emergent Matter Science, 3-1 Wako-shi, Saitama 351-0198 (Japan); Department of Applied Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2014-05-05

    We report the realization of an array of four tunnel coupled quantum dots in the single electron regime, which is the first required step toward a scalable solid state spin qubit architecture. We achieve an efficient tunability of the system but also find out that the conditions to realize spin blockade readout are not as straightforwardly obtained as for double and triple quantum dot circuits. We use a simple capacitive model of the series quadruple quantum dots circuit to investigate its complex charge state diagrams and are able to find the most suitable configurations for future Pauli spin blockade measurements. We then experimentally realize the corresponding charge states with a good agreement to our model.

  16. Determination of the electronic density of states near buried interfaces: Application to Co/Cu multilayers

    DEFF Research Database (Denmark)

    Nilsson, A.; Sthör, J.; Wiell, T.

    1996-01-01

    High-resolution L(3) x-ray absorption and emission spectra of Co and Cu in Co/Cu multilayers are shown to provide unique information on the occupied and unoccupied density of d states near buried interfaces. The d bands of both Co and Cu interfacial layers are shown to be considerably narrowed re...... relative to the bulk metals, and for Cu interface layers the d density of states is found to be enhanced near the Fermi level. The experimental results are confirmed by self-consistent electronic structure calculations.......High-resolution L(3) x-ray absorption and emission spectra of Co and Cu in Co/Cu multilayers are shown to provide unique information on the occupied and unoccupied density of d states near buried interfaces. The d bands of both Co and Cu interfacial layers are shown to be considerably narrowed...

  17. Electronic excitation energies, three-state intersections, and photodissociation mechanisms of benzaldehyde and acetophenone

    Science.gov (United States)

    Cui, Ganglong; Lu, You; Thiel, Walter

    2012-06-01

    We report a theoretical study on the electronically excited states and the mechanisms of photodissociation of C6H5CHO and C6H5COCH3. For both molecules, we find an S1/T2/T1 three-state intersection region, which allows for an efficient S1 → T1 intersystem crossing via the T2 state that acts as a relay. Consequently, T1 reactions become the major radical photodissociation channels. According to the computed energy profiles, T1 photodissociation mainly yields phenyl and formyl radicals in the case of benzaldehyde, and benzoyl and methyl radicals in the case of acetophenone, with different C-C bonds being cleaved preferentially. The computational results agree well with the available experimental data.

  18. Trap states in AlGaN channel high-electron-mobility transistors

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, ShengLei; Zhang, Kai; Ha, Wei; Chen, YongHe; Zhang, Peng; Zhang, JinCheng; Hao, Yue, E-mail: yhao@xidian.edu.cn [Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); Ma, XiaoHua, E-mail: xhma@xidian.edu.cn [Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); School of Advanced Materials and Nanotechnology, Xidian University, Xi' an 710071 (China)

    2013-11-18

    Frequency dependent capacitance and conductance measurements were performed to analyze the trap states in the AlGaN channel high-electron-mobility transistors (HEMTs). The trap state density in the AlGaN channel HEMTs decreases from 1.26 × 10{sup 13} cm{sup −2}eV{sup −1} at the energy of 0.33 eV to 4.35 × 10{sup 11} cm{sup −2}eV{sup −1} at 0.40 eV. Compared with GaN channel HEMTs, the trap states in the AlGaN channel HEMTs have deeper energy levels. The trap with deeper energy levels in the AlGaN channel HEMTs is another reason for the reduction of the reverse gate leakage current besides the higher Schottky barrier height.

  19. Anisotropic States of Two-Dimensional Electrons in High Magnetic Fields

    Science.gov (United States)

    Ettouhami, A. M.; Doiron, C. B.; Klironomos, F. D.; Côté, R.; Dorsey, Alan T.

    2006-05-01

    We study the collective states formed by two-dimensional electrons in Landau levels of index n≥2 near half filling. By numerically solving the self-consistent Hartree-Fock (HF) equations for a set of oblique two-dimensional lattices, we find that the stripe state is an anisotropic Wigner crystal (AWC), and determine its precise structure for varying values of the filling factor. Calculating the elastic energy, we find that the shear modulus of the AWC is small but finite (nonzero) within the HF approximation. This implies, in particular, that the long-wavelength magnetophonon mode in the stripe state vanishes like q3/2 as in an ordinary Wigner crystal, and not like q5/2 as was found in previous studies where the energy of shear deformations was neglected.

  20. Electron states in quantum rings with structural distortions under axial or in-plane magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Planelles, J [Departament de Quimica Fisica i Analitica, Universitat Jaume I, Box 224, E-12080 Castello (Spain); Rajadell, F [Departament de Quimica Fisica i Analitica, Universitat Jaume I, Box 224, E-12080 Castello (Spain); Climente, J I [Departament de Quimica Fisica i Analitica, Universitat Jaume I, Box 224, E-12080 Castello (Spain)

    2007-09-19

    A comprehensive study of anisotropic quantum rings, QRs, subject to axial and in-plane magnetic field, both aligned and transverse to the anisotropy direction, is carried out. Elliptical QRs for a wide range of eccentricity values and also perfectly circular QRs including one or more barriers disturbing the QR current are considered. These models mimic anisotropic geometry deformations and mass diffusion occurring in the QR fabrication process. Symmetry considerations and simplified analytical models supply physical insight into the obtained numerical results. Our study demonstrates that, except for unusual extremely large eccentricities, QR geometry deformations only appreciably influence a few low-lying states, while the effect of barriers disturbing the QR current is stronger and affects all studied states to a similar extent. We also show that the response of the electron states to in-plane magnetic fields provides accurate information on the structural anisotropy.