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Sample records for polaron band formation

  1. Small-polaron formation and motion in magnetic semiconductors

    International Nuclear Information System (INIS)

    Emin, D.

    1979-01-01

    The fundamental physical processes associated with small-polaron formation are described with various magnetic semi-conductors being cited as examples. Attention is then directed toward the mechanisms of charge transfer and small-polaron hopping motion in magnetic semiconductors

  2. Study of spin-polaron formation in 1D systems

    Energy Technology Data Exchange (ETDEWEB)

    Arredondo, Y.; Navarro, O. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Apartado Postal 70-360, 04510 México D.F. (Mexico); Vallejo, E. [Facultad de Ingeniería Mecánica y Eléctrica, Universidad Autónoma de Coahuila, Carretera Torreón-Matamoros Km. 7.5 Ciudad Universitaria, 27276 Torreón, Coahuila (Mexico)

    2014-05-15

    We study numerically the formation of spin-polarons in low-dimensional systems. We consider a ferromagnetic Kondo lattice model with Hund coupling J{sub H} and localized spins interacting antiferromagnetically with coupling constant J. We investigate the ground state phase diagram as a function of the exchange couplings J{sub H} and J and as a function of the band filling, since it has been observed that doping either on the ferromagnetic or antiferromagnetic regime lead to formation of magnetic domains [1]. We explore the quasi-particle formation and phase separation using the density-matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems.

  3. Study of spin-polaron formation in 1D systems

    International Nuclear Information System (INIS)

    Arredondo, Y.; Navarro, O.; Vallejo, E.

    2014-01-01

    We study numerically the formation of spin-polarons in low-dimensional systems. We consider a ferromagnetic Kondo lattice model with Hund coupling J H and localized spins interacting antiferromagnetically with coupling constant J. We investigate the ground state phase diagram as a function of the exchange couplings J H and J and as a function of the band filling, since it has been observed that doping either on the ferromagnetic or antiferromagnetic regime lead to formation of magnetic domains [1]. We explore the quasi-particle formation and phase separation using the density-matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems

  4. Time Domain View of Liquid-like Screening and Large Polaron Formation in Lead Halide Perovskites

    Science.gov (United States)

    Joshi, Prakriti Pradhan; Miyata, Kiyoshi; Trinh, M. Tuan; Zhu, Xiaoyang

    The structural softness and dynamic disorder of lead halide perovskites contributes to their remarkable optoelectronic properties through efficient charge screening and large polaron formation. Here we provide a direct time-domain view of the liquid-like structural dynamics and polaron formation in single crystal CH3NH3PbBr3 and CsPbBr3 using femtosecond optical Kerr effect spectroscopy in conjunction with transient reflectance spectroscopy. We investigate structural dynamics as function of pump energy, which enables us to examine the dynamics in the absence and presence of charge carriers. In the absence of charge carriers, structural dynamics are dominated by over-damped picosecond motions of the inorganic PbBr3- sub-lattice and these motions are strongly coupled to band-gap electronic transitions. Carrier injection from across-gap optical excitation triggers additional 0.26 ps dynamics in CH3NH3PbBr3 that can be attributed to the formation of large polarons. In comparison, large polaron formation is slower in CsPbBr3 with a time constant of 0.6 ps. We discuss how such dynamic screening protects charge carriers in lead halide perovskites. US Department of Energy, Office of Science - Basic Energy Sciences.

  5. Small polaron formation and motion of holes in a-SiO2

    International Nuclear Information System (INIS)

    Hughes, R.C.; Emin, D.

    1978-01-01

    X-ray generated holes in SiO 2 are observed to be reduced to low mobility in times of the order of vibrational periods, 10 -12 s. The temperature dependence, electric field dependence and magnitude of this mobility for times up to about 100 ns are consistent with those of hole-like small polarons. The circumstances which favor the occurrence of rapid small polaron formation are a large effective mass (narrow valence band), the presence of the long-range hole-lattice interaction characteristic of an ionic material and the presence of disorder, all of which are found in amorphous SiO 2 . An alternative explanation involving trapping requires an extremely large localized state density and fortuitous temperature and field dependences of the hopping rates

  6. Formation of spin-polarons in the ferromagnetic Kondo lattice model away from half-filling

    International Nuclear Information System (INIS)

    Arredondo, Y; Navarro, O; Vallejo, E; Avignon, M

    2012-01-01

    Even though realistic one-dimensional experiments in the field of half-metallic semiconductors are not at hand yet, we are interested in the underlying fundamental physics. In this regard we study a one-dimensional ferromagnetic Kondo lattice model, a model in which a conduction band is coupled ferromagnetically to a background of localized d moments with coupling constant J H , and investigate the T = 0 phase diagram as a function of the antiferromagnetic interaction J between the localized moments and the band-filling n, since it has been observed that doping of the compounds has led to formation of magnetic domains. We explore the spin-polaron formation by looking at the nearest-neighbour correlation functions in the spin and charge regimes for which we use the density matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems. (paper)

  7. Effect of defects on the small polaron formation and transport properties of hematite from first-principles calculations.

    Science.gov (United States)

    Smart, Tyler J; Ping, Yuan

    2017-10-04

    Hematite (α-Fe 2 O 3 ) is a promising candidate as a photoanode material for solar-to-fuel conversion due to its favorable band gap for visible light absorption, its stability in an aqueous environment and its relatively low cost in comparison to other prospective materials. However, the small polaron transport nature in α-Fe 2 O 3 results in low carrier mobility and conductivity, significantly lowering its efficiency from the theoretical limit. Experimentally, it has been found that the incorporation of oxygen vacancies and other dopants, such as Sn, into the material appreciably enhances its photo-to-current efficiency. Yet no quantitative explanation has been provided to understand the role of oxygen vacancy or Sn-doping in hematite. We employed density functional theory to probe the small polaron formation in oxygen deficient hematite, N-doped as well as Sn-doped hematite. We computed the charged defect formation energies, the small polaron formation energy and hopping activation energies to understand the effect of defects on carrier concentration and mobility. This work provides us with a fundamental understanding regarding the role of defects on small polaron formation and transport properties in hematite, offering key insights into the design of new dopants to further improve the efficiency of transition metal oxides for solar-to-fuel conversion.

  8. First-Principles Modeling of Polaron Formation in TiO2 Polymorphs.

    Science.gov (United States)

    Elmaslmane, A R; Watkins, M B; McKenna, K P

    2018-06-21

    We present a computationally efficient and predictive methodology for modeling the formation and properties of electron and hole polarons in solids. Through a nonempirical and self-consistent optimization of the fraction of Hartree-Fock exchange (α) in a hybrid functional, we ensure the generalized Koopmans' condition is satisfied and self-interaction error is minimized. The approach is applied to model polaron formation in known stable and metastable phases of TiO 2 including anatase, rutile, brookite, TiO 2 (H), TiO 2 (R), and TiO 2 (B). Electron polarons are predicted to form in rutile, TiO 2 (H), and TiO 2 (R) (with trapping energies ranging from -0.02 eV to -0.35 eV). In rutile the electron localizes on a single Ti ion, whereas in TiO 2 (H) and TiO 2 (R) the electron is distributed across two neighboring Ti sites. Hole polarons are predicted to form in anatase, brookite, TiO 2 (H), TiO 2 (R), and TiO 2 (B) (with trapping energies ranging from -0.16 eV to -0.52 eV). In anatase, brookite, and TiO 2 (B) holes localize on a single O ion, whereas in TiO 2 (H) and TiO 2 (R) holes can also be distributed across two O sites. We find that the optimized α has a degree of transferability across the phases, with α = 0.115 describing all phases well. We also note the approach yields accurate band gaps, with anatase, rutile, and brookite within six percent of experimental values. We conclude our study with a comparison of the alignment of polaron charge transition levels across the different phases. Since the approach we describe is only two to three times more expensive than a standard density functional theory calculation, it is ideally suited to model charge trapping at complex defects (such as surfaces and interfaces) in a range of materials relevant for technological applications but previously inaccessible to predictive modeling.

  9. Madelung and Hubbard interactions in polaron band model of doped organic semiconductors

    Science.gov (United States)

    Png, Rui-Qi; Ang, Mervin C.Y.; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K.H.

    2016-01-01

    The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π–π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine–fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime. PMID:27582355

  10. Implications of the formation of small polarons in Li2O2 for Li-air batteries

    Science.gov (United States)

    Kang, Joongoo; Jung, Yoon Seok; Wei, Su-Huai; Dillon, Anne C.

    2012-01-01

    Lithium-air batteries (LABs) are an intriguing next-generation technology due to their high theoretical energy density of ˜11 kWh/kg. However, LABs are hindered by both poor rate capability and significant polarization in cell voltage, primarily due to the formation of Li2O2 in the air cathode. Here, by employing hybrid density functional theory, we show that the formation of small polarons in Li2O2 limits electron transport. Consequently, the low electron mobility μ = 10-10-10-9 cm2/V s contributes to both the poor rate capability and the polarization that limit the LAB power and energy densities. The self-trapping of electrons in the small polarons arises from the molecular nature of the conduction band states of Li2O2 and the strong spin polarization of the O 2p state. Our understanding of the polaronic electron transport in Li2O2 suggests that designing alternative carrier conduction paths for the cathode reaction could significantly improve the performance of LABs at high current densities.

  11. Formation time of a small electron polaron in LiNbO3: measurements and interpretation

    International Nuclear Information System (INIS)

    Qiu, Yong; Ucer, K.B.; Williams, R.T.

    2005-01-01

    Infrared optical absorption attributed to the electron polaron on a non-defective site in LiNbO 3 and KNbO 3 has previously been observed using pulsed electron and laser techniques. With subpicosecond laser excitation and spectroscopy, it is possible to measure a rise time of the infrared absorption, which may be interpreted as the time for a band-state conduction electron to cool by phonon scattering, collapse its wavefunction around a site made attractive by thermal disorder, and relax vibrationally to a small polaron. This is a process which is of fundamental interest, involving dynamics of self-localization from band states and vibrational relaxation of a localized electron in an otherwise non-defective lattice. For example, Gavartin and Shluger have recently performed calculations on the role of thermal fluctuations in self-trapping of holes in MgO. We report initial measurements on the rise time of infrared absorption at 0.95 eV (Mg-perturbed polaron) in LiNbO 3 :Mg to be τ R ∼230 fs at T=20 K and τ R ∼110 fs at T=296 K. We discuss 2 stages that together may account for the delay and its temperature dependence: free-electron cooling and vibrational relaxation of a ''defect'' (small polaron) in a host. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

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

    International Nuclear Information System (INIS)

    Liu Tao; Feng Mang; Wang Kelin

    2005-01-01

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

  13. Multiphonon contribution to the polaron formation in cuprates with strong electron correlations and strong electron-phonon interaction

    Science.gov (United States)

    Ovchinnikov, Sergey G.; Makarov, Ilya A.; Kozlov, Peter A.

    2017-03-01

    In this work dependences of the electron band structure and spectral function in the HTSC cuprates on magnitude of electron-phonon interaction (EPI) and temperature are investigated. We use three-band p-d model with diagonal and offdiagonal EPI with breathing and buckling phonon mode in the frameworks of polaronic version of the generalized tight binding (GTB) method. The polaronic quasiparticle excitation in the system with EPI within this approach is formed by a hybridization of the local multiphonon Franck-Condon excitations with lower and upper Hubbard bands. Increasing EPI leads to transfer of spectral weight to high-energy multiphonon excitations and broadening of the spectral function. Temperature effects are taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Increasing the temperature results in band structure reconstruction, spectral weight redistribution, broadening of the spectral function peak at the top of the valence band and the decreasing of the peak intensity. The effect of EPI with two phonon modes on the polaron spectral function is discussed.

  14. Mechanism of small-polaron formation in the biferroic YCrO{sub 3} doped with calcium

    Energy Technology Data Exchange (ETDEWEB)

    Duran, A., E-mail: dural@cnyn.unam.mx [Universidad Nacional Autonoma de Mexico, Centro de Nanociencias y Nanotecnologia, Apartado Postal 41, C.P. 22800, Ensenada, B.C. (Mexico); Verdin, E. [Universidad de Sonora, Departamento de Fisica, Apartado Postal 1626, Hermosillo, Sonora C.P. 8300 (Mexico); Escamilla, R.; Morales, F.; Escudero, R. [Universidad Nacional Autonoma de Mexico, Instituto de Investigaciones en Materiales, Apartado Postal 70-360, Mexico D.F. 04510 (Mexico)

    2012-04-16

    Highlights: Black-Right-Pointing-Pointer The Ca doped in the YCrO3 matrix was analyzed by means of complete structural, magnetic and electric properties. Black-Right-Pointing-Pointer E{sub act} deduced by Arrhenius' Law suggests small-polarons as conduction mechanisms in pristine and doped sample. Black-Right-Pointing-Pointer Local non-centrosymmetry in pristine sample is proposed as responsible of small polarons formation. Black-Right-Pointing-Pointer A mechanism of formation of small polarons is proposed supported by experimental evidence. Black-Right-Pointing-Pointer The structural distortion caused by the Ca doped in the YCrO3 matrix is harmful to the Ferroic properties. - Abstract: The effects of Ca substitutions on the structure, magnetism and electrical properties of YCrO{sub 3} ceramics are investigated by X-ray diffraction, magnetic susceptibility and electrical conductivity measurements. The cell volume decrease occurs through the change from Cr(III) to Cr(IV) as a result of the charge compensation of the Ca doping. No changes are observed in the antiferromagnetic transition temperature while strong changes are observed in the transport measurements due to Ca content. The increase of the electrical conductivity as well as the decrease of the activation energy is caused by the formation of the small-polarons localized in the O-Cr-O lattice distortion. The origin of small-polarons in the undoped sample is different in nature from the calcium doped. 'Local non-centrosymmetry' is the source of the small-polaron formation in undoped sample, while the change from Cr(III) to Cr(IV) through the charge compensation of Ca(II) in the Y(III) site is the source of small-polarons formations. The decrease of the average bond length Cr-O as well as effective moments in the paramagnetic state and the increase of the electrical conductivity are clear evidence that the Ca doping induces localized polarons, which in turn, these quasiparticles move from site to

  15. Polarons in acetanilide

    Science.gov (United States)

    Scott, Alwyn C.; Bigio, Irving J.; Johnston, Clifford T.

    1989-06-01

    The best available data are presented of the integrated intensity of the 1650-cm-1 band in crystalline acetanilide as a function of temperature. A concise theory of polaron states is presented and used to interpret the data.

  16. Multiphonon generation during photodissociation of slow Landau-Pekar polarons

    International Nuclear Information System (INIS)

    Myasnikov, E. N.; Myasnikova, A. E.; Mastropas, Z. P.

    2006-01-01

    The spectra of the low-temperature photodissociation (photoionization) of Landau-Pekar polarons are calculated using the theory of quantum-coherent states and a new method of variation with respect to the parameters of phonon vacuum deformation. It is shown that the final polaron states upon photodissociation may have different numbers of phonons produced in a single dissociation event and different momenta of charge carriers. The spectrum of optical absorption related to the photodissociation of polarons exhibits a superposition of bands corresponding to various numbers of phonons formed as a result of dissociation of a single polaron. Due to a large width of the energy region corresponding to the final states of charge carriers, the halfwidth of each band is on the order of the energy of polaron coupling and is much greater than the phonon energy. For this reason, the individual phonon bands exhibit strong overlap. The very broad and, probably, structureless band formed as a result of the superposition of all these components begins at an energy equal to the sum of the polaron coupling energy (E p ) and the phonon energy. This band has a maximum at a frequency of about 5.6E p /ℎ and a halfwidth on the order of 5.6E p /ℎ at a unit effective mass (m* = m e ) of band electrons. For an effective charge carrier mass within m* = (1-3)m e , the energy of the polaron band maximum can be estimated as 5E p with an error of about 10%, and the halfwidth falls within 3.4E p 1/2 p . The multiphonon character of this band is related to a decay of the phonon condensate after the escape of charge carrier from a polaron. Such polarons are likely to be observed in the spectra of complex metal oxides, including high-temperature superconductors. Examples of such polaron bands in the reported absorption and photoconductivity spectra of nonstoichiometric cuprates, manganites, nickelates, and titanates are presented. A theory of the formation of Landau-Pekar polarons with the

  17. Tracking polaron generation in electrochemically doped polyaniline thin films

    Science.gov (United States)

    Kalagi, S. S.; Patil, P. S.

    2018-04-01

    Electrochemically deposited polyaniline films on ITO substrates have been studied for their optical properties. π-π*transitions inducing the formation of polarons and bipolarons have been studied from the optical spectra. The generation of these quasiparticles and the corresponding quantum of energy stored has been analysed and calculated from the experimental data. The evolution of polaron with increased levels of protonation has been identified and the necessary energy required for the transitions have been explained with the help of band structure diagram.

  18. Hole polaron-polaron interaction in transition metal oxides and its limit to p-type doping

    Science.gov (United States)

    Chen, Shiyou; Wang, Lin-Wang

    2014-03-01

    Traditionally the origin of the poor p-type conductivity in some transition metal oxides (TMOs) was attributed to the limited hole concentration: the charge-compensating donor defects, such as oxygen vacancies and cation interstitials, can form spontaneously as the Fermi energy shifts down to near the valence band maximum. Besides the thermodynamic limit to the hole concentration, the limit to the hole mobility can be another possible reason, e.g., the hole carrier can form self-trapped polarons with very low carrier mobility. Although isolated hole polarons had been found in some TMOs, the polaron-polaron interaction is not well-studied. Here we show that in TMOs such as TiO2 and V2O5, the hole polarons prefer to bind with each other to form bipolarons, which are more stable than free hole carriers or separated polarons. This pushes the hole states upward into the conduction band and traps the holes. The rise of the Fermi energy suppresses the spontaneous formation of the charge-compensating donor defects, so the conventional mechanism becomes ineffective. Since it can happen in the impurity-free TMO lattices, independent of any extrinsic dopant, it acts as an intrinsic and general limit to the p-type conductivity in these TMOs. This material is based upon work performed by the JCAP, a US DOE Energy Innovation Hub, the NSFC (No. 61106087 and 91233121) and special funds for major state basic research (No. 2012CB921401).

  19. Spin-polarons and high-Tc superconductivity

    International Nuclear Information System (INIS)

    Wood, R.F.

    1994-03-01

    The spin-polaron concept is introduced in analogy to ionic and electronic polarons and the assumptions underlying the author's approach to spin-polaron mediated high-T c superconductivity are discussed. Elementary considerations about the spin-polaron formation energy are reviewed and the possible origin of the pairing mechanism illustrated schematically. The electronic structure of the CuO 2 planes is treated from the standpoint of antiferromagnetic band calculations that lead directly to the picture of holes predominantly on the oxygen sublattice in a Mott-Hubbard/charge transfer insulator. Assuming the holes to be described in a Bloch representation but with the effective mass renormalized by spin-polaron formation, equations for the superconducting gap, Δ, and transition temperature, T c , are developed and the symmetry of Δ discussed. After further simplifications, T c is calculated as a function of the carrier concentration, x. It is shown that the calculated behavior of T c (x) follows the experimental results closely and leads to a natural explanation of the effects of under- and over-doping. The paper concludes with a few remarks about the evidence for the carriers being fermions (polarons) or bosons (bipolarons)

  20. Chiral plaquette polaron theory of cuprate superconductivity

    Science.gov (United States)

    Tahir-Kheli, Jamil; Goddard, William A., III

    2007-07-01

    Ab initio density functional calculations on explicitly doped La2-xSrxCuO4 find that doping creates localized holes in out-of-plane orbitals. A model for cuprate superconductivity is developed based on the assumption that doping leads to the formation of holes on a four-site Cu plaquette composed of the out-of-plane A1 orbitals apical Opz , planar Cud3z2-r2 , and planar Opσ . This is in contrast to the assumption of hole doping into planar Cudx2-y2 and Opσ orbitals as in the t-J model. Allowing these holes to interact with the d9 spin background leads to chiral polarons with either a clockwise or anticlockwise charge current. When the polaron plaquettes percolate through the crystal at x≈0.05 for La2-xSrxCuO4 , a Cudx2-y2 and planar Opσ band is formed. The computed percolation doping of x≈0.05 equals the observed transition to the “metallic” and superconducting phase for La2-xSrxCuO4 . Spin exchange Coulomb repulsion with chiral polarons leads to d -wave superconducting pairing. The equivalent of the Debye energy in phonon superconductivity is the maximum energy separation between a chiral polaron and its time-reversed partner. This energy separation is on the order of the antiferromagnetic spin coupling energy, Jdd˜0.1eV , suggesting a higher critical temperature. An additive skew-scattering contribution to the Hall effect is induced by chiral polarons and leads to a temperature dependent Hall effect that fits the measured values for La2-xSrxCuO4 . The integrated imaginary susceptibility, observed by neutron spin scattering, satisfies ω/T scaling due to chirality and spin-flip scattering of polarons along with a uniform distribution of polaron energy splittings. The derived functional form is compatible with experiments. The static spin structure factor for chiral spin coupling of the polarons to the undoped antiferromagnetic Cud9 spins is computed for classical spins on large two-dimensional lattices and is found to be incommensurate with a

  1. Microbial processes in banded iron formation deposition

    DEFF Research Database (Denmark)

    Posth, Nicole; Konhauser, Kurt; Kappler, Andreas

    2013-01-01

    , remains unresolved. Evidence of an anoxic Earth with only localized oxic areas until the Great Oxidation Event ca 2·45 to 2·32 Ga makes the investigation of O2-independent mechanisms for banded iron formation deposition relevant. Recent studies have explored the long-standing proposition that Archean......Banded iron formations have been studied for decades, particularly regarding their potential as archives of the Precambrian environment. In spite of this effort, the mechanism of their deposition and, specifically, the role that microbes played in the precipitation of banded iron formation minerals...... banded iron formations may have been formed, and diagenetically modified, by anaerobic microbial metabolisms. These efforts encompass a wide array of approaches including isotope, ecophysiological and phylogeny studies, molecular and mineral marker analysis, and sedimentological reconstructions. Herein...

  2. Simulating Precambrian banded iron formation diagenesis

    DEFF Research Database (Denmark)

    Posth, Nicole R.; K??hler, Inga; D. Swanner, Elizabeth

    2013-01-01

    Post-depositional diagenetic alteration makes the accurate interpretation of key precipitation processes in ancient sediments, such as Precambrian banded iron formations (BIFs), difficult. While microorganisms are proposed as key contributors to BIF deposition, the diagenetic transformation...

  3. Large polarons in lead halide perovskites

    OpenAIRE

    Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan; Joshi, Prakriti P.; Mosconi, Edoardo; Jones, Skyler C.; De Angelis, Filippo; Zhu, X.-Y.

    2017-01-01

    Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3 ? framewor...

  4. Polarons in advanced materials

    CERN Document Server

    Alexandrov, Alexandre Sergeevich

    2008-01-01

    Polarons in Advanced Materials will lead the reader from single-polaron problems to multi-polaron systems and finally to a description of many interesting phenomena in high-temperature superconductors, ferromagnetic oxides, conducting polymers and molecular nanowires. The book divides naturally into four parts. Part I introduces a single polaron and describes recent achievements in analytical and numerical studies of polaron properties in different electron-phonon models. Part II and Part III describe multi-polaron physics, and Part IV describes many key physical properties of high-temperature superconductors, colossal magnetoresistance oxides, conducting polymers and molecular nanowires, which were understood with polarons and bipolarons. The book is written in the form of self-consistent reviews authored by well-established researchers actively working in the field and will benefit scientists and postgraduate students with a background in condensed matter physics and materials sciences.

  5. Spin-polaron theory of high-Tc superconductivity: I, spin polarons and high-Tc pairing

    International Nuclear Information System (INIS)

    Wood, R.F.

    1993-06-01

    The concept of a spin polaron is introduced and contrasted with the more familiar ionic polaron picture. A brief review of aspects of ionic bipolaronic superconductivity is given with particular emphasis on the real-space pairing and true Bose condensation characteristics. The formation energy of spin polarons is then calculated in analogy with ionic polarons. The spin-flip energy of a Cu spin in an antiferromagnetically aligned CuO 2 plane is discussed. It is shown that the introduction of holes into the CuO 2 planes will always lead to the destruction of long-range AF ordering due to the formation of spin polarons. The pairing of two spin polarons can be expected because of the reestablishment of local (short-range) AF ordering; the magnitude of the pairing energy is estimated using a simplified model. The paper closes with a brief discussion of the formal theory of spin polarons

  6. Polaron crossover in molecular solids

    International Nuclear Information System (INIS)

    Zoli, Marco; Das, A N

    2004-01-01

    An analytical variational method is applied to the molecular Holstein Hamiltonian in which the dispersive features of the dimension dependent phonon spectrum are taken into account by a force constant approach. The crossover between a large and a small size polaron is monitored, in one, two and three dimensions and for different values of the adiabatic parameter, through the behaviour of the effective mass as a function of the electron-phonon coupling. By increasing the strength of the intermolecular forces the crossover becomes smoother and occurs at higher e-ph couplings. These effects are more evident in three dimensions. We show that our modified Lang-Firsov method starts to capture the occurrence of a polaron self-trapping transition when the electron energies become of order of the phonon energies. The self-trapping event persists in the fully adiabatic regime. At the crossover we estimate polaron effective masses of order ∼ 5-40 times the bare band mass according to the dimensionality and the value of the adiabatic parameter. Modified Lang-Firsov polaron masses are substantially reduced in two and three dimensions. There is no self-trapping in the antiadiabatic regime

  7. Formation of Electron Strings in Narrow Band Polar Semiconductors

    Science.gov (United States)

    Kusmartsev, F. V.

    2000-01-01

    We show that linear electron strings may arise in polar semiconductors. A single string consists of M spinless fermions trapped by an extended polarization well of a cigar shape. Inside the string the particles are free although they interact with each other via Coulomb forces. The strings arise as a result of an electronic phase separation associated with an instability of small adiabatic polarons. We have found the length of the string which depends on dielectric constants of semiconductors. The appearance of these electron strings may have an impact on the effect of stripe formation observed in a variety of high- Tc experiments.

  8. Large polarons in lead halide perovskites

    Science.gov (United States)

    Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan; Joshi, Prakriti P.; Mosconi, Edoardo; Jones, Skyler C.; De Angelis, Filippo; Zhu, X.-Y.

    2017-01-01

    Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3− frameworks, irrespective of the cation type. The difference lies in the polaron formation time, which, in CH3NH3PbBr3 (0.3 ps), is less than half of that in CsPbBr3 (0.7 ps). First-principles calculations confirm large polaron formation, identify the Pb-Br-Pb deformation modes as responsible, and explain quantitatively the rate difference between CH3NH3PbBr3 and CsPbBr3. The findings reveal the general advantage of the soft [PbX3]− sublattice in charge carrier protection and suggest that there is likely no mechanistic limitations in using all-inorganic or mixed-cation lead halide perovskites to overcome instability problems and to tune the balance between charge carrier protection and mobility. PMID:28819647

  9. Big magnetoresistance: magnetic polarons

    International Nuclear Information System (INIS)

    Teresa, J.M. de; Ibarra, M.R.

    1997-01-01

    By using several macro and microscopic experimental techniques we have given evidence for magnetoresistance in manganese oxides caused by the effect of the magnetic field on the magnetic polarons. (Author) 3 refs

  10. Quantum vibrational polarons: Crystalline acetanilide revisited

    Science.gov (United States)

    Hamm, Peter; Edler, Julian

    2006-03-01

    We discuss a refined theoretical description of the peculiar spectroscopy of crystalline acetanilide (ACN). Acetanilide is a molecular crystal with quasi-one-dimensional chains of hydrogen-bonded units, which is often regarded as a model system for the vibrational spectroscopy of proteins. In linear spectroscopy, the CO stretching (amide I) band of ACN features a double-peak structure, the lower of which shows a pronounced temperature dependence which has been discussed in the context of polaron theory. In nonlinear spectroscopy, both of these peaks respond distinctly differently. The lower-frequency band exhibits the anharmonicity expected from polaron theory, while the higher-frequency band responds as if it were quasiharmonic. We have recently related the response of the higher-frequency band to that of a free exciton [J. Edler and P. Hamm, J. Chem. Phys. 117, 2415 (2002)]. However, as discussed in the present paper, the free exciton is not an eigenstate of the full quantum version of the Holstein polaron Hamiltonian, which is commonly used to describe these phenomena. In order to resolve this issue, we present a numerically exact solution of the Holstein polaron Hamiltonian in one dimension (1D) and 3D. In 1D, we find that the commonly used displaced oscillator picture remains qualitatively correct, even for relatively large exciton coupling. However, the result is not in agreement with the experiment, as it fails to explain the free-exciton band. In contrast, when taking into account the 3D nature of crystalline acetanilide, certain parameter regimes exist where the displaced oscillator picture breaks down and states appear in the spectrum that indeed exhibit the characteristics of a free exciton. The appearance of these states is a speciality of vibrational polarons, whose source of exciton coupling is transition dipole coupling which is expected to have opposite signs of interchain and intrachain coupling.

  11. 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.

  12. Small polarons in 2D perovskites

    KAUST Repository

    Cortecchia, Daniele

    2017-11-02

    We demonstrate that white light luminescence in two-dimensional (2D) perovskites stems from photoinduced formation of small polarons confined at specific sites of the inorganic framework in the form of self-trapped electrons and holes. We discuss their application in white light emitting devices and X-ray scintillators.

  13. Small polarons in 2D perovskites

    KAUST Repository

    Cortecchia, Daniele; Yin, Jun; Birowosuto, Muhammad D.; Lo, Shu-Zee A.; Gurzadyan, Gagik G.; Bruno, Annalisa; Bredas, Jean-Luc; Soci, Cesare

    2017-01-01

    We demonstrate that white light luminescence in two-dimensional (2D) perovskites stems from photoinduced formation of small polarons confined at specific sites of the inorganic framework in the form of self-trapped electrons and holes. We discuss their application in white light emitting devices and X-ray scintillators.

  14. Chemostratigraphy of Neoproterozoic Banded Iron Formation (BIF)

    DEFF Research Database (Denmark)

    Gaucher, Claudio; Sial, Alcides N.; Frei, Robert

    2015-01-01

    Sawawin BIF (Saudi Arabia), and the Jucurutu Formation of the Seridó Belt (NE Brazil). Lake Superior type BIFs are represented by the Tonian Shilu Group (South China) and the late Ediacaran Arroyo del Soldado Group (Yerbal and Cerro Espuelitas formations, Uruguay). Useful chemostratigraphic tools...

  15. Shallow trapping vs. deep polarons in a hybrid lead halide perovskite, CH3NH3PbI3.

    Science.gov (United States)

    Kang, Byungkyun; Biswas, Koushik

    2017-10-18

    There has been considerable speculation over the nature of charge carriers in organic-inorganic hybrid perovskites, i.e., whether they are free and band-like, or they are prone to self-trapping via short range deformation potentials. Unusually long minority-carrier diffusion lengths and moderate-to-low mobilities, together with relatively few deep defects add to their intrigue. Here we implement density functional methods to investigate the room-temperature, tetragonal phase of CH 3 NH 3 PbI 3 . We compare charge localization behavior at shallow levels and associated lattice relaxation versus those at deep polaronic states. The shallow level originates from screened Coulomb interaction between the perturbed host and an excited electron or hole. The host lattice has a tendency towards forming these shallow traps where the electron or hole is localized not too far from the band edge. In contrast, there is a considerable potential barrier that must be overcome in order to initiate polaronic hole trapping. The formation of a hole polaron (I 2 - center) involves strong lattice relaxation, including large off-center displacement of the organic cation, CH 3 NH 3 + . This type of deep polaron is energetically unfavorable, and active shallow traps are expected to shape the carrier dynamics in this material.

  16. Mineralogy and geochemistry of banded iron formation and iron ...

    Indian Academy of Sciences (India)

    The geological complexities of banded iron formation (BIF) and associated iron ores of Jilling–. Langalata iron ore ...... sure to sea water. Uranium in these samples varies ..... Ce oxidation and removal (Elderfield and Greaves. 1982; De Baar et ...

  17. Polaronic transport in polysilanes

    Czech Academy of Sciences Publication Activity Database

    Nešpůrek, Stanislav; Nožár, Juraj; Kadashchuk, A.; Fishchuk, I. I.

    2009-01-01

    Roč. 193, č. 1 (2009), s. 1-4 ISSN 1742-6588. [International Conference on Electron Dynamics in Semiconductors, Optoelectronics and Nanostructures /16./. Montpellier, 24.08.2009-28.08.2009] R&D Projects: GA AV ČR IAA100100622; GA AV ČR KAN400720701 Institutional research plan: CEZ:AV0Z40500505 Keywords : polaronic transport * polysilanes * charge carrier mobility Subject RIV: CD - Macromolecular Chemistry

  18. Magnon Polarons in the Spin Seebeck Effect.

    Science.gov (United States)

    Kikkawa, Takashi; Shen, Ka; Flebus, Benedetta; Duine, Rembert A; Uchida, Ken-Ichi; Qiu, Zhiyong; Bauer, Gerrit E W; Saitoh, Eiji

    2016-11-11

    Sharp structures in the magnetic field-dependent spin Seebeck effect (SSE) voltages of Pt/Y_{3}Fe_{5}O_{12} at low temperatures are attributed to the magnon-phonon interaction. Experimental results are well reproduced by a Boltzmann theory that includes magnetoelastic coupling. The SSE anomalies coincide with magnetic fields tuned to the threshold of magnon-polaron formation. The effect gives insight into the relative quality of the lattice and magnetization dynamics.

  19. Diagrams in the polaron model

    International Nuclear Information System (INIS)

    Smondyrev, M.A.

    1985-01-01

    The perturbation theory for the polaron energy is systematically treated on the diagrammatic basis. Feynman diagrams being constructed allow to calculate the polaron energy up to the third order in powers of the coupling constant. Similar calculations are performed for the average number of virtual phonons

  20. Experimental study of shear bands formation in a granular material

    Directory of Open Access Journals (Sweden)

    Nguyen Thai Binh

    2017-01-01

    Full Text Available We present an experimental investigation of the formation of shear bands in a granular sample submitted to a biaxial test. Our principal result is the direct observation of the bifurcation at the origin of the localization process in the material. At the bifurcation, the shear band is spatially extended: we observe a breaking of symmetry without any sudden localization of the deformation in a narrow band. Our work thus allows to clearly distinguish different phenomena: bifurcation which is a ponctual event which occurs before the peak, localization which is a process that covers a range of deformation of several percents during which the peak occurs and finally stationary shear bands which are well-defined permanent structures that can be observed at the end of the localization process, after the peak.

  1. The geochemistry of banded iron formations in the sukumaland ...

    African Journals Online (AJOL)

    The geochemistry of banded iron formations in the sukumaland greenstone belt of Geita, northern Tanzania: evidence for mixing of hydrothermal and clastic ... the hydrothermal deposits have been contaminated, by up to 20% by weight, with detrital material having a composition similar to modern deep-sea pelagic clays.

  2. Geochemistry of some banded iron-formations of the archean ...

    Indian Academy of Sciences (India)

    Diagenetic fluids from the sea floor sediments and river water might have played .... (in wt%) of the banded iron-formations of Archaean supracrustal belts (Iron Ore Group) of Jharkhand–Orissa region. Gandhamardan. Deo river section. H/1/1 H/1/2 H/1/3 H/1/4 H/1/5 .... indicate that contamination by pyroclastic debris.

  3. DFT +U Modeling of Hole Polarons in Organic Lead Halide Perovskites

    Science.gov (United States)

    Welch, Eric; Erhart, Paul; Scolfaro, Luisa; Zakhidov, Alex

    Due to the ever present drive towards improved efficiencies in solar cell technology, new and improved materials are emerging rapidly. Organic halide perovskites are a promising prospect, yet a fundamental understanding of the organic perovskite structure and electronic properties is missing. Particularly, explanations of certain physical phenomena, specifically a low recombination rate and high mobility of charge carriers still remain controversial. We theoretically investigate possible formation of hole polarons adopting methodology used for oxide perovskites. The perovskite studied here is the ABX3structure, with A being an organic cation, B lead and C a halogen; the combinations studied allow for A1,xA2 , 1 - xBX1,xX2 , 3 - xwhere the alloy convention is used to show mixtures of the organic cations and/or the halogens. Two organic cations, methylammonium and formamidinium, and three halogens, iodine, chlorine and bromine are studied. Electronic structures and polaron behavior is studied through first principle density functional theory (DFT) calculations using the Vienna Ab Initio Simulation Package (VASP). Local density approximation (LDA) pseudopotentials are used and a +U Hubbard correction of 8 eV is added; this method was shown to work with oxide perovskites. It is shown that a localized state is realized with the Hubbard correction in systems with an electron removed, residing in the band gap of each different structure. Thus, hole polarons are expected to be seen in these perovskites.

  4. O{sup -} bound small polarons in oxide materials

    Energy Technology Data Exchange (ETDEWEB)

    Schirmer, O F [Department of Physics, University of Osnabrueck, D-49076 Osnabrueck (Germany)

    2006-11-01

    Holes bound to acceptor defects in oxide crystals are often localized by lattice distortion at just one of the equivalent oxygen ligands of the defect. Such holes thus form small polarons in symmetric clusters of a few oxygen ions. An overview on mainly the optical manifestations of those clusters is given. The article is essentially divided into two parts: the first one covers the basic features of the phenomena and their explanations, exemplified by several paradigmatic defects; in the second part numerous oxide materials are presented which exhibit bound small polaron optical properties. The first part starts with summaries on the production of bound hole polarons and the identification of their structure. It is demonstrated why they show strong, wide absorption bands, usually visible, based on polaron stabilization energies of typically 1 eV. The basic absorption process is detailed with a fictitious two-well system. Clusters with four, six and twelve equivalent ions are realized in various oxide compounds. In these cases several degenerate optically excited polaron states occur, leading to characteristic final state resonance splittings. The peak energies of the absorption bands as well as the sign of the transfer energy depend on the topology of the clusters. A special section is devoted to the distinction between interpolaron and intrapolaron optical transitions. The latter are usually comparatively weak. The oxide compounds exhibiting bound hole small polaron absorptions include the alkaline earth oxides (e.g. MgO), BeO and ZnO, the perovskites BaTiO{sub 3} and KTaO{sub 3}, quartz, the sillenites (e.g. Bi{sub 12}TiO{sub 20}), Al{sub 2}O{sub 3}, LiNbO{sub 3}, topaz and various other materials. There are indications that the magnetic crystals NiO, doped with Li, and LaMnO{sub 3}, doped with Sr, also show optical features caused by bound hole polarons. Beyond being elementary paradigms for the properties of small polarons in general, the defect species treated

  5. Continual integration method in the polaron model

    International Nuclear Information System (INIS)

    Kochetov, E.A.; Kuleshov, S.P.; Smondyrev, M.A.

    1981-01-01

    The article is devoted to the investigation of a polaron system on the base of a variational approach formulated on the language of continuum integration. The variational method generalizing the Feynman one for the case of the system pulse different from zero has been formulated. The polaron state has been investigated at zero temperature. A problem of the bound state of two polarons exchanging quanta of a scalar field as well as a problem of polaron scattering with an external field in the Born approximation have been considered. Thermodynamics of the polaron system has been investigated, namely, high-temperature expansions for mean energy and effective polaron mass have been studied [ru

  6. Spontaneous formation of densely packed shear bands of rotating fragments.

    Science.gov (United States)

    Åström, J A; Timonen, J

    2012-05-01

    Appearance of self-similar space-filling ball bearings has been suggested to provide the explanation for seismic gaps, shear weakness, and lack of detectable frictional heat formation in mature tectonic faults (shear zones). As the material in a shear zone fractures and grinds, it could be thought to eventually form a conformation that allows fragments to largely roll against each other without much sliding. This type of space-filling "ball bearing" can be constructed artificially, but so far how such delicate structures may appear spontaneously has remained unexplained. It is demonstrated here that first-principles simulations of granular packing with fragmenting grains indeed display spontaneous formation of shear bands with fragment conformations very similar to those of densely packed ball bearings.

  7. Observations of the initial stages of colloidal band formation

    Science.gov (United States)

    Li, Yanrong; Tagawa, Yoshiyuki; Yee, Andrew; Yoda, Minami

    2017-11-01

    A number of studies have shown that particles suspended in a conducting fluid near a wall are subject to wall-normal repulsive ``lift'' forces, even in the absence of interparticle interactions, in a flowing suspension. Evanescent-wave visualizations have shown that colloidal particles in a dilute (volume fractions negative zeta-potentials. Above a minimum ``threshold'' electric field magnitude |Emin | , the particles assemble into dense ``bands'' with cross-sectional dimensions of a few μm and length comparable to that of the channel (i.e., a few cm). The results suggest that the threshold field |Emin | is large enough so that there is a region of ``reverse'' flow, along the direction of the EO flow, near the wall. Visualization of a large segment of the channel (>300 hydraulic diameters) at frame rates as great as 1 kHz is used to determine banding maps for a variety of dilute colloidal suspensions and to investigate the initial stages of band formation over a wide range of flow conditions. Supported by US Army Research Office.

  8. Al-bound hole polarons in TiO2

    International Nuclear Information System (INIS)

    Stashans, Arvids; Bermeo, Sthefano

    2009-01-01

    Changes in the structural and electronic properties of TiO 2 (anatase and rutile) due to the Al-doping are studied using a quantum-chemical approach based on the Hartree-Fock theory. The formation of hole polarons trapped at oxygen sites near the Al impurity has been discovered and their spatial configuration are discussed. The occurrence of well-localized one-center hole polarons in rutile may influence its photocatalytic activity. Optical absorption energy for this hole center is obtained, 0.4 eV, using the ΔSCF approach.

  9. Density functional theory + U modeling of polarons in organohalide lead perovskites

    Directory of Open Access Journals (Sweden)

    Eric Welch

    2016-12-01

    Full Text Available We investigate the possible formation of polarons in four organic perovskites (CH3NH3PbI3, CH3NH3PbBr3, CH3NH3PbCl3, and CH3NH3PbI2Cl1 using a density functional theory (DFT calculations with local potentials and hybrid functionals. We show that DFT+U method with U = 8 eV predicts a correct band-gap and matches the forces on ions from hybrid calculations. We then use the DFT + U approach to study the effect of polarons, i.e. to search the configuration space and locate the lowest energy localized band gap state self-trapped hole (STH. STH configurations were found for three pure halides and one mixed halide system. Spin orbit coupling (SOC was also taken into account and the results may be found in the supplementary material. This study focuses on the +U method; however, SOC corrections added to the DFT+U calculations also resulted in STH states in all four systems.

  10. Effect of interchain coupling on the excited polaron in conjugated polymers

    International Nuclear Information System (INIS)

    Li, Xiao-xue; Chen, Gang

    2017-01-01

    Based on the one-dimensional extended Su–Schrieffer–Heeger model, we theoretically investigate the effect of interchain coupling on the formation and polarization of the single-excited state of polaron in conjugated polymers. It is found that there exists a turnover value of the coupling strength, over which the excited polaron could not be formed in either of the two coupled chains. Instead, a polaron-like particle is localized at the center of each chain. In addition, we also find that the reverse polarization of the excited polaron could be enhanced for some cases in polymer when the interchain coupling becomes strong until it exceeds the critical value. - Highlights: • Effect of interchain coupling on the single-excited state of polaron is studied. • When coupling strength exceeds critical value, the excited polaron is dissociated. • Soliton pair could be dissociated into polaron-like particle with strong coupling. • Reverse polarization of excited polaron is enhanced by weak interchain coupling. • Reverse polarization is obtained more easily in solid film of polymer molecules.

  11. Effect of interchain coupling on the excited polaron in conjugated polymers

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiao-xue, E-mail: sps_lixx@ujn.edu.cn; Chen, Gang, E-mail: ss_cheng@ujn.edu.cn

    2017-02-05

    Based on the one-dimensional extended Su–Schrieffer–Heeger model, we theoretically investigate the effect of interchain coupling on the formation and polarization of the single-excited state of polaron in conjugated polymers. It is found that there exists a turnover value of the coupling strength, over which the excited polaron could not be formed in either of the two coupled chains. Instead, a polaron-like particle is localized at the center of each chain. In addition, we also find that the reverse polarization of the excited polaron could be enhanced for some cases in polymer when the interchain coupling becomes strong until it exceeds the critical value. - Highlights: • Effect of interchain coupling on the single-excited state of polaron is studied. • When coupling strength exceeds critical value, the excited polaron is dissociated. • Soliton pair could be dissociated into polaron-like particle with strong coupling. • Reverse polarization of excited polaron is enhanced by weak interchain coupling. • Reverse polarization is obtained more easily in solid film of polymer molecules.

  12. Structural mechanisms of formation of adiabatic shear bands

    Directory of Open Access Journals (Sweden)

    Mikhail Sokovikov

    2016-10-01

    Full Text Available The paper focuses on the experimental and theoretical study of plastic deformation instability and localization in materials subjected to dynamic loading and high-velocity perforation. We investigate the behavior of samples dynamically loaded during Hopkinson-Kolsky pressure bar tests in a regime close to simple shear conditions. Experiments were carried out using samples of a special shape and appropriate test rigging, which allowed us to realize a plane strain state. Also, the shear-compression specimens proposed in were investigated. The lateral surface of the samples was investigated in a real-time mode with the aid of a high-speed infra-red camera CEDIP Silver 450M. The temperature field distribution obtained at different time made it possible to trace the evolution of plastic strain localization. Use of a transmission electron microscope for studying the surface of samples showed that in the regions of strain localization there are parts taking the shape of bands and honeycomb structure in the deformed layer. The process of target perforation involving plug formation and ejection was investigated using a high-speed infra-red camera. A specially designed ballistic set-up for studying perforation was used to test samples in different impulse loading regimes followed by plastic flow instability and plug ejection. Changes in the velocity of the rear surface at different time of plug ejection were analyzed by Doppler interferometry techniques. The microstructure of tested samples was analyzed using an optical interferometer-profilometer and a scanning electron microscope. The subsequent processing of 3D deformation relief data enabled estimation of the distribution of plastic strain gradients at different time of plug formation and ejection. It has been found that in strain localization areas the subgrains are elongated taking the shape of bands and undergo fragmentation leading to the formation of super-microcrystalline structure, in which the

  13. Observation of Spin-Polarons in a strongly interacting Fermi liquid

    Science.gov (United States)

    Zwierlein, Martin

    2009-03-01

    We have observed spin-polarons in a highly imbalanced mixture of fermionic atoms using tomographic RF spectroscopy. Feshbach resonances allow to freely tune the interactions between the two spin states involved. A single spin down atom immersed in a Fermi sea of spin up atoms can do one of two things: For strong attraction, it can form a molecule with exactly one spin up partner, but for weaker interaction it will spread its attraction and surround itself with a collection of majority atoms. This spin down atom ``dressed'' with a spin up cloud constitutes the spin-polaron. We have observed a striking spectroscopic signature of this quasi-particle for various interaction strengths, a narrow peak in the spin down spectrum that emerges above a broad background. The narrow width signals a long lifetime of the spin-polaron, much longer than the collision rate with spin up atoms, as it must be for a proper quasi-particle. The peak position allows to directly measure the polaron energy. The broad pedestal at high energies reveals physics at short distances and is thus ``molecule-like'': It is exactly matched by the spin up spectra. The comparison with the area under the polaron peak allows to directly obtain the quasi-particle weight Z. We observe a smooth transition from polarons to molecules. At a critical interaction strength of 1/kFa = 0.7, the polaron peak vanishes and spin up and spin down spectra exactly match, signalling the formation of molecules. This is the same critical interaction strength found earlier to separate a normal Fermi mixture from a superfluid molecular Bose-Einstein condensate. The spin-polarons determine the low-temperature phase diagram of imbalanced Fermi mixtures. In principle, polarons can interact with each other and should, at low enough temperatures, form a superfluid of p-wave pairs. We will present a first indication for interactions between polarons.

  14. Polaron-mediated surface reconstruction in the reduced Rutile TiO2 (110) surface

    Science.gov (United States)

    Reticcioli, Michele; Setvin, Martin; Hao, Xianfeng; Diebold, Ulrike; Franchini, Cesare

    The role of polarons is of key importance for the understanding of the fundamental properties and functionalities of TiO2. We use density functional theory with an on-site Coulomb interaction and molecular dynamics to study the formation and dynamics of small polarons in the reduced rutile (110) surface. We show that excess electrons donated by oxygen-vacancies (VO) form mobile small polarons that hop easily in subsurface and surface Ti-sites. The polaron formation becomes more favorable by increasing the VO concentration level (up to 20%) due to the progressively lower energy cost needed to distort the lattice. However, at higher VO concentration the shortening of the averaged polaron-polaron distance leads to an increased Coulomb repulsion among the trapped charges at the Ti-sites, which weakens this trend. This instability is overtaken by means of a structural 1 × 2 surface reconstruction, characterized by a distinctively more favorable polaron distribution. The calculations are validated by a direct comparison with experimental AFM and STM data. Our study identifies a fundamentally novel mechanism to drive surface reconstructions and resolves a long standing issue on the origin of the reconstruction in rutile (110) surface.

  15. Excitonic and Polaronic Properties of 2D Hybrid Organic–Inorganic Perovskites

    KAUST Repository

    Yin, Jun

    2017-01-20

    We theoretically characterize the unusual white-light emission properties of two-dimensional (2D) hybrid organic inorganic perovskites with an APbX(4) structure (where A is a bidentate organic cation and X = Cl, Br). In addition to band structure calculations including corrections due to spin orbit couplings and electron hole interactions, a computationally intensive molecular cluster approach is exploited to describe the excitonic and polaronic properties of these 2D perovskites at the atomistic level. Upon adding or removing an electron from the neutral systems, we find that strongly localized small polarons form in the 2D clusters. The polaron charge density is distributed over just lattice sites, which is consistent with the calculated large polaron binding energies, on the order of similar to 0.4-1.2 eV.

  16. Optical Detection of Polarons in High - Tc Cuprate

    International Nuclear Information System (INIS)

    Calvani, P.; Capizzi, M.; Lupi, S.; Maselli, P.; Paolone, A.; Roy LURE, P.; Berger, H.

    1995-01-01

    The optical conductivity σ (ω) of slightly e-doped single-crystals of (Nd,Gd) 2 CuO 4-y shows local modes in the far-infrared as well as a broad infrared absorption centered at ∼ 0.1 eV (d-band). This latter shows a fine structure, in agreement with recent calculations of Alexandrov et al., which is made up by intense overtones of the local modes observed in the far-infrared. Similar polaronic structures are shown to exist in the normal metallic phase of Nd 2-x Ce x CuO 4-y and even in the σ (ω ) of YBCO crystals, measured by different authors. The present observations provide evidence for the existence of small polarons in all materials with a Cu-O plane

  17. Polaron interaction energies in reduced tungsten trioxide

    International Nuclear Information System (INIS)

    Iguchi, E.; Salje, E.; Tilley, R.J.D.

    1981-01-01

    Consideration of the properties of reduced tungsten trioxide suggest that the mobile charge carriers are polarons. As it is uncertain how the presence of polarons will influence the microstructures of the crystallographic shear (CS) planes present in reduced tungsten trioxide we have calculated both the polaron-CS plane and polaron-polaron interaction energy for a variety of circumstances. Three CS plane geometries were considered, (102), (103), and (001) CS plane arrays, and the nominal compositions of the crystals ranged from WO 2 70 to WO 3 0 . The polarons were assumed to have radii from 0.6 to 1.0 nm and the polaron-CS plane electrostatic interaction was assumed to be screened. The results suggest that for the most part the total interaction energy is small and is unlikely to be of major importance in controlling the microstructures found in CS planes. However, at very high polaron densities the interaction energy could be appreciable and may have some influence on the existence range of CS phases

  18. Electron localization, polarons and clustered states in manganites

    International Nuclear Information System (INIS)

    Mannella, N.

    2004-01-01

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

  19. Pair Formation of Hard Core Bosons in Flat Band Systems

    Science.gov (United States)

    Mielke, Andreas

    2018-05-01

    Hard core bosons in a large class of one or two dimensional flat band systems have an upper critical density, below which the ground states can be described completely. At the critical density, the ground states are Wigner crystals. If one adds a particle to the system at the critical density, the ground state and the low lying multi particle states of the system can be described as a Wigner crystal with an additional pair of particles. The energy band for the pair is separated from the rest of the multi-particle spectrum. The proofs use a Gerschgorin type of argument for block diagonally dominant matrices. In certain one-dimensional or tree-like structures one can show that the pair is localised, for example in the chequerboard chain. For this one-dimensional system with periodic boundary condition the energy band for the pair is flat, the pair is localised.

  20. f-f Magnetic polaron Wigner glass and anomalous superconductivity in U sub 1 sub - sub x Th sub x Be sub 1 sub 3

    CERN Document Server

    Kasuya, T

    2000-01-01

    Mechanisms of the anomalous properties in the heavy fermion superconductor UBe sub 1 sub 3 and its alloys, in particular for the Th dopings, are studied in detail based on the fundamental electronic states to be consistent with all the crucial experimental results. As the reference systems for the magnetic polaron formation, Ce monopnictides, as well as USb and UTe, are mentioned. From detailed systematic studies of the dilute alloy systems, it is postulated that the 5f states in UBe sub 1 sub 3 split into the well-localized core 5f GAMMA sup 2 sub 7 singlet state and other delocalized 5f states situated around the Fermi energy forming the f-f magnetic polarons through the strong intra-atomic ferromagnetic f-f exchange interaction. The accompanied lattice polarons are also shown to play important roles. In the p-d band states, the f-f exchange interaction and the intersite p-f mixing interactions for the p-f Kondo state are of nearly equal strengths causing a rich variety of delicately balanced states. For th...

  1. Determining a hopping polaron's bandwidth from its Seebeck coefficient: Measuring the disorder energy of a non-crystalline semiconductor

    International Nuclear Information System (INIS)

    Emin, David

    2016-01-01

    Charge carriers that execute multi-phonon hopping generally interact strongly enough with phonons to form polarons. A polaron's sluggish motion is linked to slowly shifting atomic displacements that severely reduce the intrinsic width of its transport band. Here a means to estimate hopping polarons' bandwidths from Seebeck-coefficient measurements is described. The magnitudes of semiconductors' Seebeck coefficients are usually quite large (>k/|q| = 86 μV/K) near room temperature. However, in accord with the third law of thermodynamics, Seebeck coefficients must vanish at absolute zero. Here, the transition of the Seebeck coefficient of hopping polarons to its low-temperature regime is investigated. The temperature and sharpness of this transition depend on the concentration of carriers and on the width of their transport band. This feature provides a means of estimating the width of a polaron's transport band. Since the intrinsic broadening of polaron bands is very small, less than the characteristic phonon energy, the net widths of polaron transport bands in disordered semiconductors approach the energetic disorder experienced by their hopping carriers, their disorder energy

  2. Bound magnetic polaron in a semimagnetic double quantum well

    Science.gov (United States)

    Kalpana, P.; Jayakumar, K.

    2017-09-01

    The effect of different combinations of the concentration of Mn2+ ion in the Quantum well Cd1-xinMnxin Te and the barrier Cd1-xoutMnxout Te on the Bound Magnetic Polaron (BMP) in a Diluted Magnetic Semiconductors (DMS) Double Quantum Well (DQW) has been investigated. The Schrodinger equation is solved variationally in the effective mass approximation through which the Spin Polaronic Shift (SPS) due to the formation of BMP has been estimated for various locations of the donor impurity in the DQW. The results show that the effect of the increase of Mn2+ ion composition with different combinations on SPS is predominant for On Centre Well (OCW) impurity when compared to all other impurity locations when there is no application of magnetic field (γ = 0), γ being a dimensionless parameter for the magnetic field, and the same is predominant for On Centre Barrier (OCB) impurity with the application of external magnetic field (γ = 0.15).

  3. Changes in Gallbladder Motility and Gallstone Formation Following Laparoscopic Gastric Banding for Morbid Obesity

    Directory of Open Access Journals (Sweden)

    Bilal O Al-Jiffry

    2003-01-01

    Full Text Available Morbid obesity is associated with cholesterol gallstone formation, a risk compounded by rapid weight loss. Laparoscopic gastric banding allows for a measured rate of weight loss, but the subsequent risk for developing gallstones is unknown.

  4. Polaron-Driven Surface Reconstructions

    Directory of Open Access Journals (Sweden)

    Michele Reticcioli

    2017-09-01

    Full Text Available Geometric and electronic surface reconstructions determine the physical and chemical properties of surfaces and, consequently, their functionality in applications. The reconstruction of a surface minimizes its surface free energy in otherwise thermodynamically unstable situations, typically caused by dangling bonds, lattice stress, or a divergent surface potential, and it is achieved by a cooperative modification of the atomic and electronic structure. Here, we combined first-principles calculations and surface techniques (scanning tunneling microscopy, non-contact atomic force microscopy, scanning tunneling spectroscopy to report that the repulsion between negatively charged polaronic quasiparticles, formed by the interaction between excess electrons and the lattice phonon field, plays a key role in surface reconstructions. As a paradigmatic example, we explain the (1×1 to (1×2 transition in rutile TiO_{2}(110.

  5. Formation of banded vegetation patterns resulted from interactions between sediment deposition and vegetation growth.

    Science.gov (United States)

    Huang, Tousheng; Zhang, Huayong; Dai, Liming; Cong, Xuebing; Ma, Shengnan

    2018-03-01

    This research investigates the formation of banded vegetation patterns on hillslopes affected by interactions between sediment deposition and vegetation growth. The following two perspectives in the formation of these patterns are taken into consideration: (a) increased sediment deposition from plant interception, and (b) reduced plant biomass caused by sediment accumulation. A spatial model is proposed to describe how the interactions between sediment deposition and vegetation growth promote self-organization of banded vegetation patterns. Based on theoretical and numerical analyses of the proposed spatial model, vegetation bands can result from a Turing instability mechanism. The banded vegetation patterns obtained in this research resemble patterns reported in the literature. Moreover, measured by sediment dynamics, the variation of hillslope landform can be described. The model predicts how treads on hillslopes evolve with the banded patterns. Thus, we provide a quantitative interpretation for coevolution of vegetation patterns and landforms under effects of sediment redistribution. Copyright © 2018. Published by Elsevier Masson SAS.

  6. Small polaron hopping in magnetic semiconductors

    International Nuclear Information System (INIS)

    Emin, D.; Liu, N.L.H.

    1978-01-01

    In a number of magnetic insulators it has been hypothesized that the charge carriers form small polarons. The transfer of an electron between magnetic sites and how the magnetic nature of the material affects the rate which characterizes small-polaron hops between magnetic sites were studied. The basic transfer processes are addressed from a many-electron point in which the itinerant electron is treated as indistinguishable from those which contribute unpaired spins at the magnetic sites

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

    Science.gov (United States)

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

    2016-07-01

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

  8. Breakdown of the lattice polaron picture in La0.7Ca0.3MnO3 single crystals

    International Nuclear Information System (INIS)

    Chun, S. H.; Salamon, M. B.; Tomioka, Y.; Tokura, Y.

    2000-01-01

    When heated through the magnetic transition at T C , La 0.7 Ca 0.3 MnO 3 changes from a band metal to a polaronic insulator. The Hall constant R H , through its activated behavior and sign anomaly, provides key evidence for polaronic behavior. We use R H and the Hall mobility to demonstrate the breakdown of the polaron phase. Above 1.4T C , the polaron picture holds in detail, while below, the activation energies of both R H and the mobility deviate strongly from their polaronic values. These changes reflect the presence of metallic, ferromagnetic fluctuations, in the volume of which the Hall effect develops additional contributions tied to quantal phases. (c) 2000 The American Physical Society

  9. Dynamics of photogenerated polarons and polaron pairs in P3HT thin films

    Czech Academy of Sciences Publication Activity Database

    Menšík, Miroslav; Pfleger, Jiří; Toman, Petr

    2017-01-01

    Roč. 677, 1 June (2017), s. 87-91 ISSN 0009-2614 R&D Projects: GA MŠk(CZ) LO1507 Institutional support: RVO:61389013 Keywords : poly(3-hexyl thiophene) * transient absorption spectroscopy * polaron and polaron pairs Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 1.815, year: 2016

  10. Dynamics of the optically-induced properties of a small-polaronic glass

    International Nuclear Information System (INIS)

    Emin, D.

    1979-01-01

    The relaxation and recombination of an electronic excitation created by the absorption of a super-band-gap photon is considered for a system in which excitons and charge carriers find it energetically favorable to self-trap. The notions of a barrier to self-trapping, a short-range repulsion between electrons and holes, and the electromodulation of the small-polaron absorption band play a central role in this discussion. The results are consistent with experiments on chalcogenide glasses

  11. GPM GROUND VALIDATION NOAA S-BAND PROFILER RAW DATA NETCDF FORMAT MC3E V1

    Data.gov (United States)

    National Aeronautics and Space Administration — The S-band Profiler Raw dataset was saved in two data formats: netCDF anda proprietary Vaisala SPC format. The numeric values in both formats are exactly the same....

  12. Explanation for the temperature dependence of plasma frequencies in SrTiO3 using mixed-polaron theory

    International Nuclear Information System (INIS)

    Eagles, D.M.; Georgiev, M.; Petrova, P.C.

    1996-01-01

    A theory of mixed polarons is used to interpret the published experimental results of Gervais et al. on temperature-dependent plasma frequencies in Nb-doped SrTiO 3 . For given polaron masses before mixing, the appropriate average mixed-polaron mass at any temperature T depends on two quantities, δ and b, which are measures of the separation between the bottoms of large and nearly small polaron bands before mixing and of a mixing matrix element; δ and b are assumed to have arbitrary linear dependences on T, probably related to a T dependence of the bare mass, and a term quadratic in T is included in δ, determined from the T dependence of large-polaron binding energies. Including a constraint on the ratio δ/|b| at low T from known masses from specific-heat data, satisfactory agreement is obtained with masses determined from plasma frequencies. This gives further support for the theory of mixed polarons in SrTiO 3 in addition to that already published. copyright 1996 The American Physical Society

  13. Importance of polaron effects for charge carrier mobility above and ...

    Indian Academy of Sciences (India)

    Orifjon Ganiev

    2017-05-30

    May 30, 2017 ... sizes and effective masses are large polarons. According ... nating metallic and insulating domains with mobile ... The mobile polaronic carriers are con- ..... [51] T Kondo, Y Hamaya, A D Palczewski, T Takeuchi, J S Wen,.

  14. Effects of texture on shear band formation in plane strain tension/compression and bending

    DEFF Research Database (Denmark)

    Kuroda, M.; Tvergaard, Viggo

    2007-01-01

    In this study, effects of typical texture components observed in rolled aluminum alloy sheets on shear band formation in plane strain tension/compression and bending are systematically studied. The material response is described by a generalized Taylor-type polycrystal model, in which each grain ...... shear band formation in bent specimens is compared to that in the tension/compression problem. Finally, the present results are compared to previous related studies, and the efficiency of the present method for materials design in future is discussed....

  15. Al-bound hole polarons in TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Stashans, Arvids, E-mail: arvids@utpl.edu.ec [Grupo de Fisicoquimica de Materiales, Instituto de Quimica Aplicada, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Bermeo, Sthefano [Grupo de Fisicoquimica de Materiales, Instituto de Quimica Aplicada, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)] [Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)

    2009-09-18

    Changes in the structural and electronic properties of TiO{sub 2} (anatase and rutile) due to the Al-doping are studied using a quantum-chemical approach based on the Hartree-Fock theory. The formation of hole polarons trapped at oxygen sites near the Al impurity has been discovered and their spatial configuration are discussed. The occurrence of well-localized one-center hole polarons in rutile may influence its photocatalytic activity. Optical absorption energy for this hole center is obtained, 0.4 eV, using the {Delta}SCF approach.

  16. Polaron as the extended particle model

    International Nuclear Information System (INIS)

    Kochetov, E.A.; Kuleshov, S.P.; Smondyrev, M.A.

    1977-01-01

    The polaron (a moving electron with concomitant lattice distortion) mass and energy are calculated. The problem of finding the Green function in the polaron model is solved. A number of the simplest approximations corresponding to the approximation in the picture of straight-line paths is considered. The case of strong coupling requires more detailed study of the particle motion in the effective field, caused by the significant polarization of vacuum near the particle. As a consequence, a more complex approximation of functional integrals is required. A variation method is used in this case. The bound state of a polaron interacting not only with photons, but also with some external classical field is investigated as well. A classical potential is considered as an example

  17. Importance of polaron effects for charge carrier mobility above and ...

    Indian Academy of Sciences (India)

    It is shown that the scattering of polaronic charge carriers and bosonic Cooper pairs at acoustic and optical phonons are responsible for the charge carrier mobility above and below the PG temperature. We show that the energy scales of the binding energies of large polarons and polaronic Cooper pairs can be identified by ...

  18. Origin of long lifetime of band-edge charge carriers in organic-inorganic lead iodide perovskites.

    Science.gov (United States)

    Chen, Tianran; Chen, Wei-Liang; Foley, Benjamin J; Lee, Jooseop; Ruff, Jacob P C; Ko, J Y Peter; Brown, Craig M; Harriger, Leland W; Zhang, Depei; Park, Changwon; Yoon, Mina; Chang, Yu-Ming; Choi, Joshua J; Lee, Seung-Hun

    2017-07-18

    Long carrier lifetime is what makes hybrid organic-inorganic perovskites high-performance photovoltaic materials. Several microscopic mechanisms behind the unusually long carrier lifetime have been proposed, such as formation of large polarons, Rashba effect, ferroelectric domains, and photon recycling. Here, we show that the screening of band-edge charge carriers by rotation of organic cation molecules can be a major contribution to the prolonged carrier lifetime. Our results reveal that the band-edge carrier lifetime increases when the system enters from a phase with lower rotational entropy to another phase with higher entropy. These results imply that the recombination of the photoexcited electrons and holes is suppressed by the screening, leading to the formation of polarons and thereby extending the lifetime. Thus, searching for organic-inorganic perovskites with high rotational entropy over a wide range of temperature may be a key to achieve superior solar cell performance.

  19. The Formation and Evolution of Shear Bands in Plane Strain Compressed Nickel-Base Superalloy

    Directory of Open Access Journals (Sweden)

    Bin Tang

    2018-02-01

    Full Text Available The formation and evolution of shear bands in Inconel 718 nickel-base superalloy under plane strain compression was investigated in the present work. It is found that the propagation of shear bands under plane strain compression is more intense in comparison with conventional uniaxial compression. The morphology of shear bands was identified to generally fall into two categories: in “S” shape at severe conditions (low temperatures and high strain rates and “X” shape at mild conditions (high temperatures and low strain rates. However, uniform deformation at the mesoscale without shear bands was also obtained by compressing at 1050 °C/0.001 s−1. By using the finite element method (FEM, the formation mechanism of the shear bands in the present study was explored for the special deformation mode of plane strain compression. Furthermore, the effect of processing parameters, i.e., strain rate and temperature, on the morphology and evolution of shear bands was discussed following a phenomenological approach. The plane strain compression attempt in the present work yields important information for processing parameters optimization and failure prediction under plane strain loading conditions of the Inconel 718 superalloy.

  20. Polaron in the dilute critical Bose condensate

    Science.gov (United States)

    Pastukhov, Volodymyr

    2018-05-01

    The properties of an impurity immersed in a dilute D-dimensional Bose gas at temperatures close to its second-order phase transition point are considered. Particularly by means of the 1/N-expansion, we calculate the leading-order polaron energy and the damping rate in the limit of vanishing boson–boson interaction. It is shown that the perturbative effective mass and the quasiparticle residue diverge logarithmically in the long-length limit, signalling the non-analytic behavior of the impurity spectrum and pole-free structure of the polaron Green’s function in the infrared region, respectively.

  1. The polaron problem and the Boltzmann equation

    International Nuclear Information System (INIS)

    Devreese, J.

    1979-01-01

    A mobility theory for the Feynman polaron is developed. It is shown that the Boltzmann equation for polarons is valid for weak coupling and not too high electric fields. The analytical results indicate that for E → 0 the relaxation time approximation is valid. A comparison is made of three methods to calculate the mobility in a linear electron transport theory. An approximation to the Kubo formula, a mobility calculation using path integrals by Feynman and a calculation based on the displaced Maxwell distribution function are considered. The three methods lead to equivalent results in the weak scattering and small electric field limit

  2. Band registration of tuneable frame format hyperspectral UAV imagers in complex scenes

    Science.gov (United States)

    Honkavaara, Eija; Rosnell, Tomi; Oliveira, Raquel; Tommaselli, Antonio

    2017-12-01

    A recent revolution in miniaturised sensor technology has provided markets with novel hyperspectral imagers operating in the frame format principle. In the case of unmanned aerial vehicle (UAV) based remote sensing, the frame format technology is highly attractive in comparison to the commonly utilised pushbroom scanning technology, because it offers better stability and the possibility to capture stereoscopic data sets, bringing an opportunity for 3D hyperspectral object reconstruction. Tuneable filters are one of the approaches for capturing multi- or hyperspectral frame images. The individual bands are not aligned when operating a sensor based on tuneable filters from a mobile platform, such as UAV, because the full spectrum recording is carried out in the time-sequential principle. The objective of this investigation was to study the aspects of band registration of an imager based on tuneable filters and to develop a rigorous and efficient approach for band registration in complex 3D scenes, such as forests. The method first determines the orientations of selected reference bands and reconstructs the 3D scene using structure-from-motion and dense image matching technologies. The bands, without orientation, are then matched to the oriented bands accounting the 3D scene to provide exterior orientations, and afterwards, hyperspectral orthomosaics, or hyperspectral point clouds, are calculated. The uncertainty aspects of the novel approach were studied. An empirical assessment was carried out in a forested environment using hyperspectral images captured with a hyperspectral 2D frame format camera, based on a tuneable Fabry-Pérot interferometer (FPI) on board a multicopter and supported by a high spatial resolution consumer colour camera. A theoretical assessment showed that the method was capable of providing band registration accuracy better than 0.5-pixel size. The empirical assessment proved the performance and showed that, with the novel method, most parts of

  3. Closure of the Mott gap and formation of a superthermal metal in the Fröhlich-type nonequilibrium polaron Bose-Einstein condensate in UO2+x

    Energy Technology Data Exchange (ETDEWEB)

    Conradson, Steven D.; Andersson, David A.; Boland, Kevin S.; Bradley, Joseph A.; Byler, Darrin D.; Durakiewicz, Tomasz; Gilbertson, Steven M.; Kozimor, Stosh A.; Kvashnina, Kristina O.; Nordlund, Dennis; Rodriguez, George; Seidler, Gerald T.; Bagus, Paul S.; Butorin, Sergei M.; Conradson, Dylan R.; Espinosa-Faller, Francisco J.; Hess, Nancy J.; Kas, Joshua J.; Lezama-Pacheco, Juan S.; Martin, Philippe; Martucci, Mary B.; Rehr, John J.; Valdez, James A.; Bishop, Alan R.; Baldinozzi, Gianguido; Clark, David L.; Tayal, Akhil

    2017-09-01

    Mixed valence O-doped UO2+x and photoexcited UO2 containing transitory U3+ and U5+ host a coherent polaronic quantum phase (CPQP) that exhibits the characteristics of a Fröhlich-type, nonequilibrium, phonon-coupled Bose-Einstein condensate whose stability and coherence are amplified by collective, anharmonic motions of atoms and charges. Complementary to the available, detailed, real space information from scattering and EXAFS, an outstanding question is the electronic structure. Mapping the Mott gap in UO2, U4O9, and U3O7 with O XAS and NIXS and UM5 RIXS shows that O doping raises the peak of the U5f states of the valence band by ~0.4 eV relative to a calculated value of 0.25 eV. However, it lowers the edge of the conduction band by 1.5 eV vs the calculated 0.6 eV, a difference much larger than the experimental error. This 1.9 eV reduction in the gap width constitutes most of the 2–2.2 eV gap measured by optical absorption. In addition, the XAS spectra show a tail that will intersect the occupied U5f states and give a continuous density-of-states that increases rapidly above its constricted intersection. Femtosecond-resolved photoemission measurements of UO2, coincident with the excitation pulse with 4.7 eV excitation, show the unoccupied U5f states of UO2 and no hot electrons. 3.1 eV excitation, however, complements the O-doping results by giving a continuous population of electrons for several eV above the Fermi level. The CPQP in photoexcited UO2 therefore fulfills the criteria for a nonequilibrium condensate. The electron distributions resulting from both excitations persist for 5–10 ps, indicating that they are the final state that therefore forms without passing through the initial continuous distribution of nonthermal electrons observed for other materials. Three exceptional findings are: (1) the direct formation of both

  4. Polaron scattering by an external field

    International Nuclear Information System (INIS)

    Kochetov, E.A.

    1980-01-01

    The problem of polaron scattering by an external field is studied. The problem is solved using the stationary scattering theory formalism based on two operators: the G Green function operator and the T scattering operator. The dependence of the scattering amplitude on the quasi particle structure is studied. The variation approach is used for estimation of the ground energy level

  5. SCUSS u- BAND EMISSION AS A STAR-FORMATION-RATE INDICATOR

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Zhimin; Zhou, Xu; Wu, Hong; Fan, Zhou; Jiang, Zhao-Ji; Ma, Jun; Nie, Jun-Dan; Wang, Jia-Li; Wu, Zhen-Yu; Zhang, Tian-Meng; Zou, Hu [Key Laboratory of Optical Astronomy, National Astronomical Observatories, Chinese Academy of Sciences, Beijing, 100012 (China); Fan, Xiao-Hui; Lesser, Michael [Steward Observatory, University of Arizona, Tucson, AZ 85721 (United States); Jing, Yi-Peng [Center for Astronomy and Astrophysics, Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Li, Cheng; Shen, Shi-Yin [Shanghai Astronomical Observatory, Chinese Academy of Science, 80 Nandan Road, Shanghai 200030 (China); Jiang, Lin-Hua, E-mail: zmzhou@bao.ac.cn [Kavli Institute for Astronomy and Astrophysics, Peking University, Beijing 100871 (China)

    2017-01-20

    We present and analyze the possibility of using optical u- band luminosities to estimate star-formation rates (SFRs) of galaxies based on the data from the South Galactic Cap u band Sky Survey (SCUSS), which provides a deep u -band photometric survey covering about 5000 deg{sup 2} of the South Galactic Cap. Based on two samples of normal star-forming galaxies selected by the BPT diagram, we explore the correlations between u -band, H α , and IR luminosities by combing SCUSS data with the Sloan Digital Sky Survey and Wide-field Infrared Survey Explorer ( WISE ). The attenuation-corrected u -band luminosities are tightly correlated with the Balmer decrement-corrected H α luminosities with an rms scatter of ∼0.17 dex. The IR-corrected u luminosities are derived based on the correlations between the attenuation of u- band luminosities and WISE 12 (or 22) μ m luminosities, and then calibrated with the Balmer-corrected H α luminosities. The systematic residuals of these calibrations are tested against the physical properties over the ranges covered by our sample objects. We find that the best-fitting nonlinear relations are better than the linear ones and recommended to be applied in the measurement of SFRs. The systematic deviations mainly come from the pollution of old stellar population and the effect of dust extinction; therefore, a more detailed analysis is needed in future work.

  6. Mesoarchean Banded Iron Formation sequences in Dixon Island-Cleaverville Formation, Pilbara Australia: Oxygenic signal from DXCL project

    Science.gov (United States)

    Kiyokawa, S.; Ito, T.; Ikehara, M.; Yamaguchi, K. E.; Naraoka, H.; Onoue, T.; Horie, K.; Sakamoto, R.; Aihara, Y.; Miki, T.

    2013-12-01

    The 3.2-3.1 Ga Dixon island-Cleaverville formations are well-preserved Banded Iron Formation (BIF) within hydrothermal oceanic sequence at oceanic island arc setting (Kiyokawa et al., 2002, 2006, 2012). The stratigraphy of the Dixon Island (3195+15Ma) -Cleaverville (3108+13Ma) formations shows the well preserved environmental condition at the Mesoarchean ocean floor. The stratigraphy of these formations are formed about volcano-sedimentary sequences with hydrothermal chert, black shale and banded iron formation to the top. Based on the scientific drilling of DXCL project at 2007 and 2011, detail lithology between BIF sequence was clearly understood. Four drilling holes had been done at coastal sites; the Dixon Island Formation is DX site (100m) and the Cleaverville Formation is CL2 (40m), CL1 (60m) and CL3 (200m) sites and from stratigraphic bottom to top. Coarsening and thickening upward black shale-BIF sequences are well preserved of the stratigraphy form the core samples. The Dixon Island Formation consists komatiite-rhyolite sequences with many hydrothermal veins and very fine laminated cherty rocks above them. The Cleaverville Formation contains black shale, fragments-bearing pyroclastic beds, white chert, greenish shale and BIF. The CL3 core, which drilled through BIF, shows siderite-chert beds above black shale identified before magnetite lamination bed. U-Pb SHRIMP data of the tuff in lower Dixon Island Formation is 3195+15 Ma and the pyroclastic sequence below the Cleaverville BIF is 3108+13 Ma. Sedimentation rate of these sequence is 2-8 cm/ 1000year. The hole section of the organic carbon rich black shales below BIF are similar amount of organic content and 13C isotope (around -30per mill). There are very weak sulfur MIF signal (less 0.2%) in these black shale sequence. Our result show that thick organic rich sediments may be triggered to form iron rich siderite and magnetite iron beds. The stratigraphy in this sequence quite resemble to other Iron

  7. A polaronic model of superconductivity in doped fulleride systems

    International Nuclear Information System (INIS)

    Tiwari, S.C.

    2007-01-01

    Full text: A polaronic model of superconductivity in doped fulleride systems is presented. The normal and anomalous one-particle Green's functions are derived for a system with strong electron phonon coupling. The study of collapse of the electron band and the phonon vacuum is presented within the mean-field approximation. Self consistent equation for the superconducting order parameter is derived using Green's function technique and following Lang and Firsov transformations. Expressions for specific heat, density of states, free energy and critical field based on this model have been derived. The theory is applied to explain the experimental results in the systems K 3 C 60 and Rb 3 C 6 O. These results are in good agreement with the available experimental data. (authors)

  8. Mechanisms of bands and spirals formation during the drying of watery solutions of mercury (II) chloride with agar-agar

    International Nuclear Information System (INIS)

    Suarez-DomInguez, Edgardo Jonathan; Betancourt-Mar, Juvencio Alberto

    2005-01-01

    It is proposed two mechanisms to explain the formation of periodic and non periodic bands and spirals as thin films of gelatinous aqueous solutions of mercury (II) chloride are dried. The first mechanism supposes an homogeneous drying, where the height of the film decreases at constant rate, forming Liesegang bands. The second mechanism implies a non homogeneous drying where an evaporation front drives the formation of periodic bands and spirals

  9. Analyzing shear band formation with high resolution X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Pagan, Darren C.; Obstalecki, Mark; Park, Jun-Sang; Miller, Matthew P.

    2018-04-01

    Localization of crystallographic slip into shear bands during uniaxial compression of a copper single crystal is studied using very far-field high-energy diffraction microscopy (vff-HEDM). Diffracted intensity was collected in-situ as the crystal deformed using a unique mobile detector stage that provided access to multiple diffraction peaks with high-angular resolution. From the diffraction data, single crystal orientation pole figures (SCPFs) were generated and are used to track the evolution of the distribution of lattice orientation that develops as slip localizes. To aid the identification of 'signatures' of shear band formation and analyze the SCPF data, a model of slip-driven lattice reorientation within shear bands is introduced. Confidence is built in conclusions drawn from the SCPF data about the character of internal slip localization through comparisons with strain fields on the sample surface measured simultaneously using digital image correlation. From the diffraction data, we find that the active slip direction and slip plane are not directly aligned with the orientation of the shear bands that formed. In fact, by extracting the underlying slip system activity from the SCPF data, we show that intersecting shear bands measured on the surface of the sample arise from slip primarily on the same underlying single slip system. These new vff-HEDM results raise significant questions on the use of surface measurements for slip system activity estimation. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  10. Magnetic polarons in a nonequilibrium polariton condensate

    Science.gov (United States)

    Mietki, Paweł; Matuszewski, Michał

    2017-09-01

    We consider a condensate of exciton polaritons in a diluted magnetic semiconductor microcavity. Such a system may exhibit magnetic self-trapping in the case of sufficiently strong coupling between polaritons and magnetic ions embedded in the semiconductor. We investigate the effect of the nonequilibrium nature of exciton polaritons on the physics of the resulting self-trapped magnetic polarons. We find that multiple polarons can exist at the same time, and we derive a critical condition for self-trapping that is different from the one predicted previously in the equilibrium case. Using the Bogoliubov-de Gennes approximation, we calculate the excitation spectrum and provide a physical explanation in terms of the effective magnetic attraction between polaritons, mediated by the ion subsystem.

  11. Magnetic and electronic properties of La3 M O7 and possible polaron formation in hole-doped La3 M O7 (M   =  Ru and Os)

    International Nuclear Information System (INIS)

    Gao, Bin; Weng, Yakui; Zhang, Jun-Jie; Zhang, Huimin; Zhang, Yang; Dong, Shuai

    2017-01-01

    Oxides with 4 d /5 d transition metal ions are physically interesting for their particular crystalline structures as well as the spin–orbit coupled electronic structures. Recent experiments revealed a series of 4 d /5 d transition metal oxides R 3 M O 7 (R : rare earth; M : 4 d /5 d transition metal) with unique quasi-one-dimensional M chains. Here first-principles calculations have been performed to study the electronic structures of La 3 OsO 7 and La 3 RuO 7 . Our study confirm both of them to be Mott insulating antiferromagnets with identical magnetic order. The reduced magnetic moments, which are much smaller than the expected value for ideal high-spin state (3 t 2g orbitals occupied), are attributed to the strong p   −   d hybridization with oxygen ions, instead of the spin–orbit coupling. The Ca-doping to La 3 OsO 7 and La 3 RuO 7 can not only modulate the nominal carrier density but also affect the orbital order as well as the local distortions. The Coulombic attraction and particular orbital order would prefer to form polarons, which might explain the puzzling insulating behavior of doped 5 d transition metal oxides. In addition, our calculations predict that the Ca-doping can trigger ferromagnetism in La 3 RuO 7 but not in La 3 OsO 7 . (paper)

  12. Sedimentary mechanisms of a modern banded iron formation on Milos Island, Greece

    Directory of Open Access Journals (Sweden)

    E. Chi Fru

    2018-05-01

    Full Text Available An early Quaternary shallow submarine hydrothermal iron formation (IF in the Cape Vani sedimentary basin (CVSB on Milos Island, Greece, displays banded rhythmicity similar to Precambrian banded iron formation (BIF. Field-wide stratigraphic and biogeochemical reconstructions show two temporal and spatially isolated iron deposits in the CVSB with distinct sedimentological character. Petrographic screening suggests the presence of a photoferrotrophic-like microfossil-rich IF (MFIF, accumulated on a basement consisting of andesites in a ∼ 150 m wide basin in the SW margin of the basin. A banded nonfossiliferous IF (NFIF sits on top of the Mn-rich sandstones at the transition to the renowned Mn-rich formation, capping the NFIF unit. Geochemical data relate the origin of the NFIF to periodic submarine volcanism and water column oxidation of released Fe(II in conditions predominated by anoxia, similar to the MFIF. Raman spectroscopy pairs hematite-rich grains in the NFIF with relics of a carbonaceous material carrying an average δ13Corg signature of ∼ −25‰. A similar δ13Corg signature in the MFIF could not be directly coupled to hematite by mineralogy. The NFIF, which postdates large-scale Mn deposition in the CVSB, is composed primarily of amorphous Si (opal-SiO2 ⋅ nH2O while crystalline quartz (SiO2 predominates the MFIF. An intricate interaction between tectonic processes, changing redox, biological activity, and abiotic Si precipitation are proposed to have collectively formed the unmetamorphosed BIF-type deposits in a shallow submarine volcanic center. Despite the differences in Precambrian ocean–atmosphere chemistry and the present geologic time, these formation mechanisms coincide with those believed to have formed Algoma-type BIFs proximal to active seafloor volcanic centers.

  13. Holstein polaron in a valley-degenerate two-dimensional semiconductor.

    Science.gov (United States)

    Kang, Mingu; Jung, Sung Won; Shin, Woo Jong; Sohn, Yeongsup; Ryu, Sae Hee; Kim, Timur K; Hoesch, Moritz; Kim, Keun Su

    2018-05-28

    Two-dimensional (2D) crystals have emerged as a class of materials with tunable carrier density 1 . Carrier doping to 2D semiconductors can be used to modulate many-body interactions 2 and to explore novel composite particles. The Holstein polaron is a small composite particle of an electron that carries a cloud of self-induced lattice deformation (or phonons) 3-5 , which has been proposed to play a key role in high-temperature superconductivity 6 and carrier mobility in devices 7 . Here we report the discovery of Holstein polarons in a surface-doped layered semiconductor, MoS 2 , in which a puzzling 2D superconducting dome with the critical temperature of 12 K was found recently 8-11 . Using a high-resolution band mapping of charge carriers, we found strong band renormalizations collectively identified as a hitherto unobserved spectral function of Holstein polarons 12-18 . The short-range nature of electron-phonon (e-ph) coupling in MoS 2 can be explained by its valley degeneracy, which enables strong intervalley coupling mediated by acoustic phonons. The coupling strength is found to increase gradually along the superconducting dome up to the intermediate regime, which suggests a bipolaronic pairing in the 2D superconductivity.

  14. Finite temperature dynamics of a Holstein polaron: The thermo-field dynamics approach

    Science.gov (United States)

    Chen, Lipeng; Zhao, Yang

    2017-12-01

    Combining the multiple Davydov D2 Ansatz with the method of thermo-field dynamics, we study finite temperature dynamics of a Holstein polaron on a lattice. It has been demonstrated, using the hierarchy equations of motion method as a benchmark, that our approach provides an efficient, robust description of finite temperature dynamics of the Holstein polaron in the simultaneous presence of diagonal and off-diagonal exciton-phonon coupling. The method of thermo-field dynamics handles temperature effects in the Hilbert space with key numerical advantages over other treatments of finite-temperature dynamics based on quantum master equations in the Liouville space or wave function propagation with Monte Carlo importance sampling. While for weak to moderate diagonal coupling temperature increases inhibit polaron mobility, it is found that off-diagonal coupling induces phonon-assisted transport that dominates at high temperatures. Results on the mean square displacements show that band-like transport features dominate the diagonal coupling cases, and there exists a crossover from band-like to hopping transport with increasing temperature when including off-diagonal coupling. As a proof of concept, our theory provides a unified treatment of coherent and incoherent transport in molecular crystals and is applicable to any temperature.

  15. Strong-coupling polaron effect in quantum dots

    International Nuclear Information System (INIS)

    Zhu Kadi; Gu Shiwei

    1993-11-01

    Strong-coupling polaron in a parabolic quantum dot is investigated by the Landau-Pekar variational treatment. The polaron binding energy and the average number of virtual phonons around the electron as a function of the effective confinement length of the quantum dot are obtained in Gaussian function approximation. It is shown that both the polaron binding energy and the average number of virtual phonons around the electron decrease by increasing the effective confinement length. The results indicate that the polaronic effects are more pronounced in quantum dots than those in two-dimensional and three-dimensional cases. (author). 15 refs, 4 figs

  16. Transport and ordering of polarons in CER manganites PrCaMnO

    International Nuclear Information System (INIS)

    Schramm, S; Hoffmann, J; Jooss, Ch

    2008-01-01

    The temperature-dependent resistivity and the colossal resistance effect induced by strong electric fields of the small-band Pr 1-x Ca x MnO 3 (PCMO) manganites are analysed with respect to the influence of the Ca doping, post-annealing, the prehistory of the electric stimulation, and the physical dimensions of the sample. Despite the phase separation between charge and orbital ordered and disordered phases, PCMO reveals the properties of a homogeneous medium with a conductivity governed by the hopping of small polarons if the electric field is not too strong. In contrast, high electric fields induce a structural transition which gives rise to a glassy behaviour in the transient regime. In the low resistance state the small activation energy of charge carrier hopping implies a transition to large polaron hopping

  17. Band formation in xenon-argon alloys studied by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Nuernberger, R.; Himpsel, F.J.; Schwentner, N.; Koch, E.E.

    1977-01-01

    Photoelectron energy distribution curves for Xenon-Argon alloys for concentrations ranging from 0-100% have been measured by excitation with synchrotron radiation at hupsilon = 13.8 eV, 16.5 eV and 18.0 eV. With increasing Xe concentration the gradual formation of Xe valence bands starting from the atomic Xe 5p 1 / 2 and Xe 5p 3 / 2 states is observed. Similarly with Ar the 3p states are broadened with increasing Ar concentration. Rather high concentrations of Xe or Ar are necessary in order to reach the fully developed Xe or Ar bands respectively. The results are discussed in terms of a concentration dependent tightbinding bandstructure. (orig.) [de

  18. Surface composition of pull-apart bands in Argadnel Regio, Europa: Evidence of localized cryovolcanic resurfacing during basin formation

    Science.gov (United States)

    Prockter, Louise M.; Shirley, James H.; Dalton, James B.; Kamp, L.

    2017-03-01

    We combine Galileo Solid State Imager (SSI) and Near-Infrared Mapping Spectrometer (NIMS) data to investigate the composition of pull-apart bands in Europa's Argadnel Regio. Using spectral linear mixture modeling employing cryogenic laboratory reference spectra, we find that bands of intermediate age ("grey" bands) are compositionally distinct from bands that are stratigraphically younger ("dark" bands). The grey bands have higher abundances of larger ice grains and lower abundances of hydrated salts than the dark bands; both of these tendencies are statistically significant at the 1% level. The grey and dark bands have similar abundances of hexahydrite, a material which is relatively stable under irradiation; however, the derived abundances of frozen magnesium sulfate brine and of mirabilite, which are more susceptible to fragmentation by radiation, are significantly higher in the dark bands than in the grey bands. These results are consistent with a physical model in which the differences in composition and in ice grain sizes are linked to space weathering and radiolytic processing levels; the grey bands have presumably undergone higher levels of processing, due to being exposed on Europa's surface for a longer period of time. One prominent wedge-shaped band exhibits an anomalous albedo variation across its northern portion, appearing dark in its top third, and grey in its southernmost two-thirds. We find that the dark part of the band has a modeled composition that is in-family with other dark bands, while the grey portion has a modeled composition that is indistinguishable from other grey bands in the study area. Because these variations cannot easily be attributed to the band's formation mechanism (bands open sequentially along a central axis), we surmise that the northern part has been resurfaced, probably in response to the formation of a large topographic basin that cuts through the band. Faulting accompanying basin formation may provide conduits allowing

  19. Tunneling of self-trapped states and formation of a band

    International Nuclear Information System (INIS)

    Yonemitsu, K.

    1993-12-01

    Tunneling of a self-trapped kink and formation of a band are studied semi classically in the one-dimensional extended Peierls-Hubbard model near half filling, considering up to Gaussian fluctuations around imaginary-time-dependent periodic motion of electrons and phonons on the stationary phase of the action derived using Slater determinants. In the strong-coupling limit of both the Holstein and attractive Hubbard models, it reproduces analytically-known effective hopping of a single bipolaron because the tunneling involves only one in this limit. The method gives new results in other general cases and is easily applied to excited or more complex systems. 13 refs, 4 figs

  20. Crossover from Polaronic to Magnetically Phase-Separated Behavior in La1-xSrxCoO3

    Science.gov (United States)

    Phelan, D.; El Khatib, S.; Wang, S.; Barker, J.; Zhao, J.; Zheng, H.; Mitchell, J. F.; Leighton, C.

    2013-03-01

    Dilute hole-doping in La1-xSrxCoO3 leads to the formation of ``spin-state polarons'' where a non-zero spin-state is stabilized on the nearest Co3+ ions surrounding a hole. Here, we discuss the development of electronic/magnetic properties of this system from non-magnetic x=0, through the regime of spin-state polarons, and into the region where longer-range spin correlations and phase separation develop. We present magnetometry, transport, heat capacity, and small-angle neutron scattering (SANS) on single crystals. Magnetometry indicates a crossover with x from Langevin-like behavior (polaronic) to a state with a freezing temperature and finite coercivity. Fascinating correlations with this behavior are seen in transport measurements, the evolution from polaronic to clustered states being accompanied by a crossover from Mott variable range hopping to intercluster hopping. SANS data shows Lorentzian scattering from short-range ferromagnetic clusters first emerging around x = 0.03 with correlation lengths of order two unit cells. We argue that this system provides a unique opportunity to understand in detail the crossover from polaronic to truly phase-separated states.

  1. Neutron diffuse scattering in magnetite due to molecular polarons

    International Nuclear Information System (INIS)

    Yamada, Y.; Wakabayashi, N.; Nicklow, R.M.

    1980-01-01

    A detailed neutron diffuse scattering study has been carried out in order to verify a model which describes the property of valence fluctuations in magnetite above T/sub V/. This model assumes the existence of a complex which is composed of two excess electrons and a local displacement mode of oxygens within the fcc primitive cell. The complex is called a molecular polaron. It is assumed that at sufficiently high temperatures there is a random distribution of molecular polarons, which are fluctuating independently by making hopping motions through the crystal or by dissociating into smaller polarons. The lifetime of each molecular polaron is assumed to be long enough to induce an instantaneous strain field around it. Based on this model, the neutron diffuse scattering cross section due to randomly distributed dressed molecular polarons has been calculated. A precise measurement of the quasielastic scattering of neutrons has been carried out at 150 K. The observed results definitely show the characteristics which are predicted by the model calculation and, thus, give evidence for the existence of the proposed molecular polarons. From this standpoint, the Verwey transition of magnetite may be viewed as the cooperative ordering process of dressed molecular polarons. Possible extensions of the model to describe the ordering and the dynamical behavior of the molecular polarons are discussed

  2. Polaron binding energy in polymers: poly[methyl(phenyl)silylene

    Czech Academy of Sciences Publication Activity Database

    Nožár, Juraj; Nešpůrek, Stanislav; Šebera, Jakub

    2012-01-01

    Roč. 18, č. 2 (2012), s. 623-629 ISSN 1610-2940 R&D Projects: GA AV ČR KAN400720701 Institutional research plan: CEZ:AV0Z40500505 Keywords : polaron * polaron binding energy * polysilane Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.984, year: 2012

  3. Microstructural characterization and formation mechanism of abnormal segregation band of hot rolled ferrite/pearlite steel

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Rui [School of Materials Science and Engineering, Shandong University, Jinan 250061 (China); Engineering Research Center of Large Size Alloy Structural Steel Bars of Shandong Province, Jinan 250061 (China); School of Materials Science and Engineering, Shandong University of Technology, Zibo 255049 (China); Li, Shengli, E-mail: lishengli@sdu.edu.cn [School of Materials Science and Engineering, Shandong University, Jinan 250061 (China); Engineering Research Center of Large Size Alloy Structural Steel Bars of Shandong Province, Jinan 250061 (China); Zhu, Xinde [School of Materials Science and Engineering, Shandong University, Jinan 250061 (China); Ao, Qing [School of Materials Science and Engineering, Shandong University, Jinan 250061 (China); Engineering Research Center of Large Size Alloy Structural Steel Bars of Shandong Province, Jinan 250061 (China)

    2015-10-15

    In order to further reveal the microstructural characterization and formation mechanism of abnormal segregation band of hot rolled ferrite/pearlite steel, the microstructure of this type steel was intensively studied with Scanning Auger Microprobe (SAM), etc. The results show that severe C–Mn segregation exists in the abnormal segregation band region at the center of hot rolled ferrite/pearlite steel, which results from the Mn segregation during solidification process of the continuous casting slab. The C–Mn segregation causes relative displacement of pearlite transformation curve and bainite transformation curve of C curve in the corresponding region, leading to bay-like shaped C curve. The bay-like shaped C curve creates conditions for the transformation from supercooling austenite to bainite at relatively lower cooling rate in this region. The Fe–Mn–C Atomic Segregation Zone (FASZ) caused by C–Mn segregation can powerfully retard the atomic motion, and increase the lattice reconstruction resistance of austenite transformation. These two factors provide thermodynamic and kinetic conditions for the bainite transformation, and result in the emergence of granular bainitic abnormal segregation band at the center of steel plate, which leads to lower plasticity and toughness of this region, and induces the layered fracture. - Highlights: • Scanning Auger Microprobe (SAM) is applied in the fracture analysis. • The abnormal segregation band region appears obvious C–Mn segregation. • The C–Mn segregation leads to bay-like shaped C curve. • The C–Mn segregation leads to Fe–Mn–C Atomic Segregation Zone.

  4. Spectral characteristics of banded iron formations in Singhbhum craton, eastern India: Implications for hematite deposits on Mars

    Directory of Open Access Journals (Sweden)

    Mahima Singh

    2016-11-01

    Full Text Available Banded iron formations (BIFs are major rock units having hematite layers intermittent with silica rich layers and formed by sedimentary processes during late Archean to mid Proterozoic time. In terrestrial environment, hematite deposits are mainly found associated with banded iron formations. The BIFs in Lake Superior (Canada and Carajas (Brazil have been studied by planetary scientists to trace the evolution of hematite deposits on Mars. Hematite deposits are extensively identified in Meridiani region on Mars. Many hypotheses have been proposed to decipher the mechanism for the formation of these deposits. On the basis of geomorphological and mineralogical studies, aqueous environment of deposition is found to be the most supportive mechanism for its secondary iron rich deposits. In the present study, we examined the spectral characteristics of banded iron formations of Joda and Daitari located in Singhbhum craton in eastern India to check its potentiality as an analog to the aqueous/marine environment on Mars. The prominent banding feature of banded iron formations is in the range of few millimeters to few centimeters in thickness. Fe rich bands are darker (gray in color compared to the light reddish jaspilitic chert bands. Thin quartz veins (<4 mm are occasionally observed in the hand-specimens of banded iron formations. Spectral investigations have been conducted in VIS/NIR region of electromagnetic spectrum in the laboratory conditions. Optimum absorption bands identified include 0.65, 0.86, 1.4 and 1.9 μm, in which 0.56 and 0.86 μm absorption bands are due to ferric iron and 1.4 and 1.9 μm bands are due to OH/H2O. To validate the mineralogical results obtained from VIS/NIR spectral radiometry, laser Raman and Fourier transform infrared spectroscopic techniques were utilized and the results were found to be similar. Goethite-hematite association in banded iron formation in Singhbhum craton suggests dehydration activity, which has

  5. Polaron self-localization in white-light emitting hybrid perovskites

    KAUST Repository

    Cortecchia, Daniele

    2017-02-03

    Two-dimensional (2D) perovskites with the general formula APbX are attracting increasing interest as solution processable, white-light emissive materials. Recent studies have shown that their broadband emission is related to the formation of intra-gap colour centres. Here, we provide an in-depth description of the charge localization sites underlying the generation of such radiative centres and their corresponding decay dynamics, highlighting the formation of small polarons trapped within their lattice distortion field. Using a combination of spectroscopic techniques and first-principles calculations to study the white-light emitting 2D perovskites (EDBE)PbCl and (EDBE)PbBr, we infer the formation of Pb , Pb, and X (where X = Cl or Br) species confined within the inorganic perovskite framework. Due to strong Coulombic interactions, these species retain their original excitonic character and form self-trapped polaron-excitons acting as radiative colour centres. These findings are expected to be relevant for a broad class of white-light emitting perovskites with large polaron relaxation energy.

  6. Soliton and polaron generation in polyacetylene

    International Nuclear Information System (INIS)

    Su, Zhao-bin; Yu, Lu.

    1984-07-01

    The nonradiative decay of an e-h pair into soliton pair and that of an electron (hole) into polaron as well as the photoproduction of soliton pairs are considered using the lattice relaxation theory of multiphonon processes generalized to include the self-consistency of the multi-electron states with the lattice symmetry breaking. The selection rule which forbids the direct process of photogeneration for neutral pair is derived from the symmetry arguments. The branching ratio of the photogenerated neutral to charged soliton pairs is estimated. The recent related experiments are discussed. (author)

  7. Properties of a Bound Polaron under a Perpendicular Magnetic Field

    International Nuclear Information System (INIS)

    Liu Jia; Chen Ziyu; Xiao Jinglin; Huo Shufen

    2007-01-01

    We investigate the influence of a perpendicular magnetic field on a bound polaron near the interface of a polar-polar semiconductor with Rashba effect. The external magnetic field strongly changes the ground state binding energy of the polaron and the Rashba spin-orbit (SO) interaction originating from the inversion asymmetry in the heterostructure splits the ground state binding energy of the bound polaron. In this paper, we have shown how the ground state binding energy will be with the change of the external magnetic field, the location of a single impurity, the wave vector of the electron and the electron areal density, taking into account the SO coupling. Due to the presence of the phonons, whose energy gives negative contribution to the polaron's, the spin-splitting states of the bound polaron are more stable, and we find that in the condition of week magnetic field, the Zeeaman effect can be neglected.

  8. Weak coupling polaron and Landau-Zener scenario: Qubits modeling

    Science.gov (United States)

    Jipdi, M. N.; Tchoffo, M.; Fokou, I. F.; Fai, L. C.; Ateuafack, M. E.

    2017-06-01

    The paper presents a weak coupling polaron in a spherical dot with magnetic impurities and investigates conditions for which the system mimics a qubit. Particularly, the work focuses on the Landau-Zener (LZ) scenario undergone by the polaron and derives transition coefficients (transition probabilities) as well as selection rules for polaron's transitions. It is proven that, the magnetic impurities drive the polaron to a two-state superposition leading to a qubit structure. We also showed that the symmetry deficiency induced by the magnetic impurities (strong magnetic field) yields to the banishment of transition coefficients with non-stacking states. However, the transition coefficients revived for large confinement frequency (or weak magnetic field) with the orbital quantum numbers escorting transitions. The polaron is then shown to map a qubit independently of the number of relevant states with the transition coefficients lifted as LZ probabilities and given as a function of the electron-phonon coupling constant (Fröhlich constant).

  9. Optical Characterization of the Hole Polaron in a Series of Diketopyrrolopyrrole Polymers Used for Organic Photovoltaics

    Directory of Open Access Journals (Sweden)

    Evan L. Williams

    2014-12-01

    Full Text Available A strategy that is often used for designing low band gap polymers involves the incorporation of electron-rich (donor and electron-deficient (acceptor conjugated segments within the polymer backbone. In this paper we investigate such a series of Diketopyrrolopyrrole (DPP-based co-polymers. The co-polymers consisted of a DPP unit attached to a phenylene, naphthalene, or anthracene unit. Additionally, polymers utilizing either the thiophene-flanked DPP or the furan-flanked DPP units paired with the naphthalene comonomer were compared. As these polymers have been used as donor materials and subsequent hole transporting materials in organic solar cells, we are specifically interested in characterizing the optical absorption of the hole polaron of these DPP based copolymers. We employ chemical doping, electrochemical doping, and photoinduced absorption (PIA studies to probe the hole polaron absorption spectra. While some donor-acceptor polymers have shown an appreciable capacity to generate free charge carriers upon photoexcitation, no polaron signal was observed in the PIA spectrum of the polymers in this study. The relations between molecular structure and optical properties are discussed.

  10. Effects of hole self-trapping by polarons on transport and negative bias illumination stress in amorphous-IGZO

    Science.gov (United States)

    de Jamblinne de Meux, A.; Pourtois, G.; Genoe, J.; Heremans, P.

    2018-04-01

    The effects of hole injection in amorphous indium-gallium-zinc-oxide (a-IGZO) are analyzed by means of first-principles calculations. The injection of holes in the valence band tail states leads to their capture as a polaron, with high self-trapping energies (from 0.44 to 1.15 eV). Once formed, they mediate the formation of peroxides and remain localized close to the hole injection source due to the presence of a large diffusion energy barrier (of at least 0.6 eV). Their diffusion mechanism can be mediated by the presence of hydrogen. The capture of these holes is correlated with the low off-current observed for a-IGZO transistors, as well as with the difficulty to obtain a p-type conductivity. The results further support the formation of peroxides as being the root cause of Negative Bias Illumination Stress (NBIS). The strong self-trapping substantially reduces the injection of holes from the contact and limits the creation of peroxides from a direct hole injection. In the presence of light, the concentration of holes substantially rises and mediates the creation of peroxides, responsible for NBIS.

  11. Magnetic Polarons in Anisotropic Quantum Dots

    Science.gov (United States)

    Oszwaldowski, Rafal; Petukhov, Andre; Zutic, Igor

    2010-03-01

    Tunability of confinement in magnetically-doped quantum dots (QDs) allows to tailor magnetism to an extent not available in bulk semiconductors. Versatile control of magnetic ordering, along with piezomagnetism, has been predicted even at a fixed number of carriers [1]. Recent experiments on colloidal QDs revealed strongly bound magnetic polarons (MPs) [2]. Previous studies of MPs in bulk semiconductors showed that the mean-field theory predicts a spurious magnetic phase transition, which is removed by taking into account spin fluctuations [3]. Here we present our theoretical results for MPs forming in QDs with pronounced magnetic anisotropy, which influences the spin fluctuations. We apply our findings to explain some peculiarities of the magnetic behavior of type-II ZnSe/(Zn,Mn)Te QDs, where magnetic polarons are found to persist to at least 200K [4]. Supported by ONR, AFOSR, and NSF-ECCS CAREER. [4pt] [1] R. M. Abolfath, A. G. Petukhov, and I. Zutic, Phys. Rev. Lett. 101, 207202 (2008); I. Zutic and A. G. Petukhov, Nature Mater.4, 623 (2009). [0pt] [2] R. Beaulac et al., Science 325, 973 (2009). [0pt] [3] T. Dietl and J. Spalek, Phys. Rev. Lett. 48, 355 (1982). [0pt] [4] I. R. Sellers, R. Oszwaldowski, et al., preprint; I. R. Sellers et al., Phys. Rev. Lett. 100, 136405 (2008).

  12. Size dependent polaronic conduction in hematite

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Monika; Banday, Azeem; Murugavel, Sevi [Department of Physics and Astrophysics, University of Delhi, Delhi – 110 007 (India)

    2016-05-23

    Lithium Ion Batteries have been attracted as the major renewable energy source for all portable electronic devices because of its advantages like superior energy density, high theoretical capacity, high specific energy, stable cycling and less memory effects. Recently, α-Fe{sub 2}O{sub 3} has been considered as a potential anode material due to high specific capacity, low cost, high abundance and environmental benignity. We have synthesized α-Fe{sub 2}O{sub 3} with various sizes by using the ball milling and sol-gel procedure. Here, we report the dc conductivity measurement for the crystallite size ranging from 15 nm to 50 nm. It has been observed that the enhancement in the polaronic conductivity nearly two orders in magnitude while reducing the crystallite size from bulk into nano scale level. The enhancement in the conductivity is due to the augmented to compressive strain developed in the material which leads to pronounced decrease in the hopping length of polarons. Thus, nanocrystaline α-Fe{sub 2}O{sub 3} may be a better alternative anode material for lithium ion batteries than earlier reported systems.

  13. Size dependent polaronic conduction in hematite

    International Nuclear Information System (INIS)

    Sharma, Monika; Banday, Azeem; Murugavel, Sevi

    2016-01-01

    Lithium Ion Batteries have been attracted as the major renewable energy source for all portable electronic devices because of its advantages like superior energy density, high theoretical capacity, high specific energy, stable cycling and less memory effects. Recently, α-Fe_2O_3 has been considered as a potential anode material due to high specific capacity, low cost, high abundance and environmental benignity. We have synthesized α-Fe_2O_3 with various sizes by using the ball milling and sol-gel procedure. Here, we report the dc conductivity measurement for the crystallite size ranging from 15 nm to 50 nm. It has been observed that the enhancement in the polaronic conductivity nearly two orders in magnitude while reducing the crystallite size from bulk into nano scale level. The enhancement in the conductivity is due to the augmented to compressive strain developed in the material which leads to pronounced decrease in the hopping length of polarons. Thus, nanocrystaline α-Fe_2O_3 may be a better alternative anode material for lithium ion batteries than earlier reported systems.

  14. Adiabatic shear banding and scaling laws in chip formation with application to cutting of Ti-6Al-4V

    Science.gov (United States)

    Molinari, A.; Soldani, X.; Miguélez, M. H.

    2013-11-01

    The phenomenon of adiabatic shear banding is analyzed theoretically in the context of metal cutting. The mechanisms of material weakening that are accounted for are (i) thermal softening and (ii) material failure related to a critical value of the accumulated plastic strain. Orthogonal cutting is viewed as a unique configuration where adiabatic shear bands can be experimentally produced under well controlled loading conditions by individually tuning the cutting speed, the feed (uncut chip thickness) and the tool geometry. The role of cutting conditions on adiabatic shear banding and chip serration is investigated by combining finite element calculations and analytical modeling. This leads to the characterization and classification of different regimes of shear banding and the determination of scaling laws which involve dimensionless parameters representative of thermal and inertia effects. The analysis gives new insights into the physical aspects of plastic flow instability in chip formation. The originality with respect to classical works on adiabatic shear banding stems from the various facets of cutting conditions that influence shear banding and from the specific role exercised by convective flow on the evolution of shear bands. Shear bands are generated at the tool tip and propagate towards the chip free surface. They grow within the chip formation region while being convected away by chip flow. It is shown that important changes in the mechanism of shear banding take place when the characteristic time of shear band propagation becomes equal to a characteristic convection time. Application to Ti-6Al-4V titanium are considered and theoretical predictions are compared to available experimental data in a wide range of cutting speeds and feeds. The fundamental knowledge developed in this work is thought to be useful not only for the understanding of metal cutting processes but also, by analogy, to similar problems where convective flow is also interfering with

  15. The pairing theory of polarons in real- and impulse spaces

    International Nuclear Information System (INIS)

    Dzhumanov, S.; Abboudy, S.; Baratov, A.A.

    1995-07-01

    A consistent pairing theory of carriers in real- and impulse spaces is developed. The pairing of different free (F), delocalized (D) and self-trapped (S) carriers in real-space, leading to the formation of various bipolaronic states are considered within the continuum model and adiabatic approximation taking into account the combined effect of the short- and long-range components of electron-lattice interaction with and without electron correlation. The formation possibility of D- and S-bipolarons as a function of ε ∞ /ε 0 are shown. The pairing scenarios of carriers in k-space leading to the formation of different bipolarons (including also Cooper pairs dynamic bipolarons) are considered within the generalized BCS-like model taking into account the combined phonon and polaron-bag mediated processes. It is shown that the pure BCS pairing picture is the particular case of the general BCS-like one. The possible relevance of the obtained results to high-T c superconductors is discussed in details in the framework of a novel two-stage Fermi-Bose-liquid scenarios of superconductivity which is caused by single particle and pair condensation of an attracting bipolarons. (author). 51 refs, 6 figs

  16. The Bogolubov Representation of the Polaron Model and Its Completely Integrable RPA-Approximation

    International Nuclear Information System (INIS)

    Bogolubov, Nikolai N. Jr.; Prykarpatsky, Yarema A.; Ghazaryan, Anna A.

    2009-12-01

    The polaron model in ionic crystal is studied in the N. Bogolubov representation using a special RPA-approximation. A new exactly solvable approximated polaron model is derived and described in detail. Its free energy at finite temperature is calculated analytically. The polaron free energy in the constant magnetic field at finite temperature is also discussed. Based on the structure of the N. Bogolubov unitary transformed polaron Hamiltonian a very important new result is stated: the full polaron model is exactly solvable. (author)

  17. Screening effect on the polaron by surface plasmons

    Science.gov (United States)

    Xu, Xiaoying; Xu, Xiaoshan; Seal, Katyayani; Guo, Hangwen; Shen, Jian; Low Dimensional Materials Physics, Oak Ridge National Lab Team; University of Tennessee Team; Physics Department, Fudan University Team

    2011-03-01

    Surface plasmons occur when the conduction electrons at a metal/dielectric interface resonantly interact with external electromagnetic fields. While surface plasmons in vicinity of a polaron in the dielectric material, a strong screening effect on polaron characteristics is introduced. In this work, we observed the reduction of polarons in multiferroic LuFe2O4, which is mainly contributed by surface plasmons. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

  18. Bi-Polaron Condensation in High Tc Superconductors

    International Nuclear Information System (INIS)

    Ranninger, J.

    1995-01-01

    On the basis of optical measurements-, photoemission-, EXAFS- and neutron scattering-experiments we conclude that itinerant valence electrons coexist with localized bi-polarons.Entering the metallic phase upon chemical doping, a charge transfer between the two electronic subsystems is triggered off. We show that as the temperature is lowered towards Tc this process leads to a delocalization of bi-polarons due to a precursor effect of superfluidity of those bi-polarons. Upon entering the superconducting phase, these bipolarons ultimately condense into a superfluid state which is expected to largely determine the superconducting properties of high Tc materials. (authors)

  19. Method of T-products in polaron theory

    International Nuclear Information System (INIS)

    Bogolubov, N.N. Jr.; Kurbatov, A.M.; Kireev, A.N.

    1985-11-01

    T-products method is used for the investigation of equilibrium thermodynamic properties of Frohlich's model in polaron theory. Polaron free energy at finite temperatures is calculated on the basis of Bogolubov's variational principle. A trial function is chosen in the most general form corresponding to arbitrary number of oscillators harmonically interacting with electron. The upper bound to the polaron ground state energy in limiting case of weak interaction and low temperatures is obtained and investigated in detail. It is shown that the result becomes more exact by increasing the number of oscillators. (author)

  20. Inelastic scattering in a local polaron model with quadratic coupling to bosons

    DEFF Research Database (Denmark)

    Olsen, Thomas

    2009-01-01

    We calculate the inelastic scattering probabilities in the wide band limit of a local polaron model with quadratic coupling to bosons. The central object is a two-particle Green's function which is calculated exactly using a purely algebraic approach. Compared with the usual linear interaction term...... a quadratic interaction term gives higher probabilities for inelastic scattering involving a large number of bosons. As an application we consider the problem hot-electron-mediated energy transfer at surfaces and use the delta self-consistent field extension of density-functional theory to calculate...

  1. Petrology and geochemistry of REE-rich Mafé banded iron formations (Bafia group, Cameroon)

    Science.gov (United States)

    Nkoumbou, Charles; Gentry, Fuh Calistus; Tchakounte Numbem, Jacqueline; Belle Ekwe Lobé, Yolande Vanessa; Nwagoum Keyamfé, Christin Steve

    2017-07-01

    Archaean-Paleoproterozoic foliated amphibole-gneisses and migmatites interstratified with amphibolites, pyroxeno-amphibolites and REE-rich banded-iron formations outcrop at Mafé, Ndikinimeki area. The foliation is nearly vertical due to tight folds. Flat-lying quartz-rich mica schists and quartzites, likely of Pan-African age, partly cover the formations. Among the Mafé BIFs, the oxide BIF facies shows white layers of quartz and black layers of magnetite and accessory hematite, whereas the silicate BIF facies is made up of thin discontinuous quartz layers alternating with larger garnet (almandine-spessartine) + chamosite + ilmenite ± Fe-talc layers. REE-rich oxide BIFs compositions are close to the East Pacific Rise (EPR) hydrothermal deposit; silicate BIFs plot midway between EPR and the associated amphibolite, accounting for a contamination by volcanic materials, in addition to the hydrothermal influence during their oceanic deposition. The association of an oceanic setting with alkaline and tholeiitic magmatism is typical of the Algoma-type BIF deposit. The REE-rich BIFs indices recorded at Mafé are interpreted as resulting from an Archaean-Paleoproterozoic mineralization.

  2. Disturbances in the positioning, proliferation, and apoptosis of neural progenitors contribute to subcortical band heterotopia formation

    Science.gov (United States)

    Fitzgerald, MP; Covio, M; Lee, KS

    2011-01-01

    Cortical malformations are commonly associated with intractable epilepsy and other developmental disorders. Our studies utilize the tish rat, a spontaneously occurring genetic model of subcortical band heterotopia (SBH) associated with epilepsy, to evaluate the developmental events underlying SBH formation in the neocortex. Our results demonstrate that Pax6+ and Tbr2+ progenitors are mislocalized in tish+/− and tish−/− neocortex throughout neurogenesis. In addition, mislocalized tish−/− progenitors possess a longer cell cycle than wildtype or normally-positioned tish−/− progenitors, owing to a lengthened G2+M+G1 time. This mislocalization is not associated with adherens junction breakdown or loss of radial glial polarity in the ventricular zone, as assessed by immunohistochemistry against phalloidin (to identify F-actin), aPKC-λ, and Par3. However, vimentin immunohistochemistry indicates that the radial glial scaffold is disrupted in the region of the tish−/− heterotopia. Moreover, lineage tracing experiments using in utero electroporation in tish−/− neocortex demonstrate that mislocalized progenitors do not retain contact with the ventricular surface and that ventricular/subventricular zone progenitors produce neurons that migrate into both the heterotopia and cortical plate. Taken together, these findings define a series of developmental errors contributing to SBH formation that differs fundamentally from a primary error in neuronal migration. PMID:21145942

  3. DFT+U study of polaronic conduction in Li2O2 and Li2CO3

    DEFF Research Database (Denmark)

    García Lastra, Juan Maria; Myrdal, J.S.G.; Christensen, Rune

    2013-01-01

    The main discharge products formed at the cathode of nonaqueous Li-air batteries are known to be Li2O2 and residual Li2CO3. Recent experiments indicate that the charge transport through these materials is the main limiting factor for the battery performance. It has been also shown...... that the performance of the battery decreases drastically when the amount of Li2CO3 at the cathode increases with respect to Li2O2. In this work, we study the formation and transport of hole and electron polarons in Li2O2 and Li2CO3 using density functional theory (DFT) within the PBE+U approximation. For both...... materials, we find that the formation of polarons (both hole and electron) is stabilized with respect to the delocalized states for all physically relevant values of U. We find a much higher mobility for hole polarons than for the electron polarons, and we show that the poor charge transport in Li2CO3...

  4. Semiclassical and quantum polarons in crystalline acetanilide

    Science.gov (United States)

    Hamm, P.; Tsironis, G. P.

    2007-08-01

    Crystalline acetanilide is a an organic solid with peptide bond structure similar to that of proteins. Two states appear in the amide I spectral region having drastically different properties: one is strongly temperature dependent and disappears at high temperatures while the other is stable at all temperatures. Experimental and theoretical work over the past twenty five years has assigned the former to a selftrapped state while the latter to an extended free exciton state. In this article we review the experimental and theoretical developments on acetanilide paying particular attention to issues that are still pending. Although the interpretation of the states is experimentally sound, we find that specific theoretical comprehension is still lacking. Among the issues that that appear not well understood is the effective dimensionality of the selftrapped polaron and free exciton states.

  5. Structural correlations in the generation of polaron pairs in low-bandgap polymers for photovoltaics

    Science.gov (United States)

    Tautz, Raphael; da Como, Enrico; Limmer, Thomas; Feldmann, Jochen; Egelhaaf, Hans-Joachim; von Hauff, Elizabeth; Lemaur, Vincent; Beljonne, David; Yilmaz, Seyfullah; Dumsch, Ines; Allard, Sybille; Scherf, Ullrich

    2012-07-01

    Polymeric semiconductors are materials where unique optical and electronic properties often originate from a tailored chemical structure. This allows for synthesizing conjugated macromolecules with ad hoc functionalities for organic electronics. In photovoltaics, donor-acceptor co-polymers, with moieties of different electron affinity alternating on the chain, have attracted considerable interest. The low bandgap offers optimal light-harvesting characteristics and has inspired work towards record power conversion efficiencies. Here we show for the first time how the chemical structure of donor and acceptor moieties controls the photogeneration of polaron pairs. We show that co-polymers with strong acceptors show large yields of polaron pair formation up to 24% of the initial photoexcitations as compared with a homopolymer (η=8%). π-conjugated spacers, separating the donor and acceptor centre of masses, have the beneficial role of increasing the recombination time. The results provide useful input into the understanding of polaron pair photogeneration in low-bandgap co-polymers for photovoltaics.

  6. Influence of impurities on the polaron effective mass

    International Nuclear Information System (INIS)

    Lima, R.A.T. de.

    1975-01-01

    Using the Green Function formalism, it is verified the Rodriguez's model for the effective mass of the polaron at finite temperature in the presence of 'traps'. Some aspects of this model were discussed. (M.W.O.) [pt

  7. Microstructure evolution associated with adiabatic shear bands and shear band failure in ballistic plug formation in Ti-6Al-4V targets

    International Nuclear Information System (INIS)

    Murr, L.E.; Ramirez, A.C.; Gaytan, S.M.; Lopez, M.I.; Martinez, E.Y.; Hernandez, D.H.; Martinez, E.

    2009-01-01

    The microstructures and microstructure evolution associated with adiabatic shear band (ASB) formation in ballistic plugging in thick (2.5 cm) Ti-6Al-4V targets impacted by cylindrical, 4340 steel projectiles (2.0 cm in height) at impact velocities ranging from 633 m/s to 1027 m/s (just above the ballistic limit) were investigated by optical and transmission electron microscopy. ASB width increased from 10 μm to 21 μm as the velocity increased. ASB evolution was accompanied by the evolution of dark deformation bands composed of α' martensite platelets which increased in density with increasing impact velocity. The corresponding Vickers microindentation hardness also increased from HV 619 to HV 632 in contrast to the surrounding matrix microindentation hardness of HV 555. These deformation bands were not necessarily precursors to ASB formation. The ASB average Vickers microindentation hardness was essentially constant at HV 645, a 16% increase over the matrix. This constant microindentation hardness was characterized by a consistent DRX grain structure which varied from equiaxed, defect-free grains (∼2 μm diameter) to heavily dislocated, equiaxed grains. Cracks nucleating and propagating within the ABSs were observed to increase from 8% to 87% of the ASB length with increasing impact velocity.

  8. Dilatant shear band formation and diagenesis in calcareous, arkosic sandstones, Vienna Basin (Austria)

    Science.gov (United States)

    Lommatzsch, Marco; Exner, Ulrike; Gier, Susanne; Grasemann, Bernhard

    2015-01-01

    The present study examines deformation bands in calcareous arkosic sands. The investigated units can be considered as an equivalent to the Matzen field in the Vienna Basin (Austria), which is one of the most productive oil reservoirs in central Europe. The outcrop exposes carbonate-free and carbonatic sediments of Badenian age separated by a normal fault. Carbonatic sediments in the hanging wall of the normal fault develop dilation bands with minor shear displacements (< 2 mm), whereas carbonate-free sediments in the footwall develop cataclastic shear bands with up to 70 cm displacement. The cataclastic shear bands show a permeability reduction up to 3 orders of magnitude and strong baffling effects in the vadose zone. Carbonatic dilation bands show a permeability reduction of 1-2 orders of magnitude and no baffling structures. We distinguished two types of deformation bands in the carbonatic units, which differ in deformation mechanisms, distribution and composition. Full-cemented bands form as dilation bands with an intense syn-kinematic calcite cementation, whereas the younger loose-cemented bands are dilatant shear bands cemented by patchy calcite and clay minerals. All analyzed bands are characterized by a porosity and permeability reduction caused by grain fracturing and cementation. The changed petrophysical properties and especially the porosity evolution are closely related to diagenetic processes driven by varying pore fluids in different diagenetic environments. The deformation band evolution and sealing capacity is controlled by the initial host rock composition. PMID:26300577

  9. Theory of super-para-electric large polaron for gigantic photo-enhancements of dielectric constant and electronic conductivity in SrTiO3

    International Nuclear Information System (INIS)

    Yu Qiu; Nasu, Keiichiro

    2005-01-01

    In connection with the recent experimental discoveries on gigantic photoenhancements of the electronic conductivity and the quasi-static dielectric susceptibility in SrTiO 3 , we theoretically study a photo-generation mechanism of a charged ferroelectric domain in this quantum dielectric. The photo-generated electron, being quite itinerant in the 3d band of Ti 4+ , is assumed to couple weakly but quadratically with soft-anharmonic T 1u phonons in this quantum dielectric. The photo-generated electron is also assumed to couple strongly but linearly with the breathing type high energy phonons. Using a tight binding model for electron, we will show that these two types of electron-phonon couplings result in two types of polarons, a 'super-para-electric (SPE) large polaron' with a quasi-global parity violation, and an 'off-centre type self-trapped polaron' with only a local parity violation. We will also show that this SPE large polaron is nothing else but a singly charged (e - ) and conductive ferroelectric (or SPE) domain with a quasi macroscopic size. This polaron or domain is also shown to have a high mobility and a large quasi-static dielectric susceptibility

  10. Flow banding in basaltic pillow lavas from the Early Archean Hooggenoeg Formation, Barberton Greenstone Belt, South Africa

    Science.gov (United States)

    Robins, Brian; Sandstå, Nils Rune; Furnes, Harald; de Wit, Maarten

    2010-07-01

    Well-preserved pillow lavas in the uppermost part of the Early Archean volcanic sequence of the Hooggenoeg Formation in the Barberton Greenstone Belt exhibit pronounced flow banding. The banding is defined by mm to several cm thick alternations of pale green and a dark green, conspicuously variolitic variety of aphyric metabasalt. Concentrations of relatively immobile TiO2, Al2O3 and Cr in both varieties of lava are basaltic. Compositional differences between bands and variations in the lavas in general have been modified by alteration, but indicate mingling of two different basalts, one richer in TiO2, Al2O3, MgO, FeOt and probably Ni and Cr than the other, as the cause of the banding. The occurrence in certain pillows of blebs of dark metabasalt enclosed in pale green metabasalt, as well as cores of faintly banded or massive dark metabasalt, suggest that breakup into drops and slugs in the feeder channel to the lava flow initiated mingling. The inhomogeneous mixture was subsequently stretched and folded together during laminar shear flow through tubular pillows, while diffusion between bands led to partial homogenisation. The most common internal pattern defined by the flow banding in pillows is concentric. In some pillows the banding defines curious mushroom-like structures, commonly cored by dark, variolitic metabasalt, which we interpret as the result of secondary lateral flow due to counter-rotating, transverse (Dean) vortices induced by the axial flow of lava towards the flow front through bends, generally downward, in the tubular pillows. Other pillows exhibit weakly-banded or massive, dark, variolitic cores that are continuous with wedge-shaped apophyses and veins that intrude the flow banded carapace. These cores represent the flow of hotter and less viscous slugs of the dark lava type into cooled and stiffened pillows.

  11. Decoupling of Neoarchean sulfur sources recorded in Algoma-type banded iron formation

    Science.gov (United States)

    Diekrup, David; Hannington, Mark D.; Strauss, Harald; Ginley, Stephen J.

    2018-05-01

    Neoarchean Algoma-type banded iron formations (BIFs) are widely viewed as direct chemical precipitates from proximal volcanic-hydrothermal vents. However, a systematic multiple sulfur isotope study of oxide-facies BIF from a type locality in the ca. 2.74 Ga Temagami greenstone belt reveals mainly bacterial turnover of atmospheric elemental sulfur in the host basin rather than deposition of hydrothermally cycled seawater sulfate or sulfur from direct volcanic input. Trace amounts of chromium reducible sulfur that were extracted for quadruple sulfur isotope (32S-33S-34S-36S) analysis record the previously known mass-independent fractionation of volcanic SO2 in the Archean atmosphere (S-MIF) and biological sulfur cycling but only minor contributions from juvenile sulfur, despite the proximity of volcanic sources. We show that the dominant bacterial metabolisms were iron reduction and sulfur disproportionation, and not sulfate reduction, consistent with limited availability of organic matter and the abundant ferric iron deposited as Fe(OH)3. That sulfur contained in the BIF was not a direct volcanic-hydrothermal input, as expected, changes the view of an important archive of the Neoarchean sulfur cycle in which the available sulfur pools were strongly decoupled and only species produced photochemically under anoxic atmospheric conditions were deposited in the BIF-forming environment.

  12. Direct observation of anisotropic small-hole polarons in an orthorhombic structure of BiV O4 films

    Science.gov (United States)

    Chaudhuri, A.; Mandal, L.; Chi, X.; Yang, M.; Scott, M. C.; Motapothula, M.; Yu, X. J.; Yang, P.; Shao-Horn, Y.; Venkatesan, T.; Wee, A. T. S.; Rusydi, A.

    2018-05-01

    Here, we report an anisotropic small-hole polaron in an orthorhombic structure of BiV O4 films grown by pulsed-laser deposition on yttrium-doped zirconium oxide substrate. The polaronic state and electronic structure of BiV O4 films are revealed using a combination of polarization-dependent x-ray absorption spectroscopy at V L3 ,2 edges, spectroscopic ellipsometry, x-ray photoemission spectroscopies, and high-resolution x-ray diffraction with the support of first-principles calculations. We find that in the orthorhombic phase, which is slightly different from the conventional pucherite structure, the unoccupied V 3d orbitals and charge inhomogeneities lead to an anisotropic small-hole polaron state. Our result shows the importance of the interplay of charge and lattice for the formation of a hole polaronic state, which has a significant impact in the electrical conductivity of BiV O4 , hence its potential use as a photoanode for water splitting.

  13. Slip-band formation and dislocation kinetics in the stage I deformation of neutron-irradiated copper single crystals

    International Nuclear Information System (INIS)

    Kitajima, Sadakichi; Shinohara, Kazutoshi; Kutsuwada, Masanori

    1995-01-01

    The velocity of edge and screw dislocations moving in primary slip bands and the formation rate of primary slip bands were measured in stage I deformation of neutron-irradiated copper single crystals at different strain rates at room temperature using micro-cinematography and optical micrography. The average velocity of edge dislocations was larger at least by one order than that of screw ones, and that of screw dislocations did not depend so strongly on strain rate. The formation rate of primary slip bands was proportional to strain rate. From these results, it is concluded that (1) jogs produced on moving dislocations by cutting dislocation loops result in the difference in velocity between edge and screw dislocations and (2) the change in the density of mobile dislocations as well as velocity of dislocations is responsible for the change of plastic strain rate of a crystal. (author)

  14. The formation of PSB-like shear bands in cyclically deformed ultrafine grained copper processed by ECAP

    Energy Technology Data Exchange (ETDEWEB)

    Wu, S.D.; Wang, Z.G.; Jiang, C.B.; Li, G.Y.; Alexandrov, I.V.; Valiev, R.Z

    2003-06-15

    Cyclic deformation was performed on ultrafine grained copper processed by ECAP. Shear bands (SBs) and adjacent microstructures were investigated using electron channeling contrast in scanning electron microscope. The possible formation mechanism of SB was discussed based on the characteristic distribution of defects introduced by ECAP.

  15. Polaron variable range hopping in TiO2-δ(-0.04=<δ=<0.2) thin films

    International Nuclear Information System (INIS)

    Heluani, S.P.; Comedi, D.; Villafuerte, M.; Juarez, G.

    2007-01-01

    The mechanisms of electrical conduction in TiO 2-δ (-0.04= 2 +Ar gas atmospheres where changes in δ and film structure had been achieved by varying the O 2 flow rate and the substrate temperature. The electrical transport properties of these samples were investigated by measuring the conductivity as a function of temperature between 17K and room temperature. At the temperature range between 200 and 290K the best fit to the experimental data was obtained assuming a dependence characteristic of adiabatic variable range hopping. At lower temperature the activation energy for the conductivity tends to zero. The results suggest that the conduction mechanism is adiabatic small polaron hopping, which switches to conduction in a polaron band at low temperatures

  16. Testing Timescales for Rhythms Recorded in the 2.5 Ga Banded Iron Formation of the Dales Gorge Member (Brockman Iron Formation, Hamersley Group, Australia)

    Science.gov (United States)

    Hinnov, L. A.; de Oliveira Carvalho Rodrigues, P.; Franco, D.

    2017-12-01

    The classic, Superior-type banded iron formation (BIF) of the Precambrian Dales Gorge Member (DGM) of the Brockman Iron Formation, Hamersley Basin, Western Australia consists of a succession of micro- (millimeter-scale) and meso- (centimeter to decimeter-scale) bands of primarily iron-silica chemical sediment alternations, separated into macro- (meter to decameter-scale) bands by shales (1). Here, we present a time-frequency analysis of a gray-scale scan of the DGM "type section core" Hole 47A with small contributions from Hole EC10 (1) to provide a comprehensive characterization of banding patterns and periodicity throughout the 140 m section. SHRIMP zircon ages (2) indicate that the DGM was deposited over approximately 30 myr during the Archean-Proterozoic transition just prior to the Great Oxidation Event. This suggests that the banding patterns recorded Milankovitch cycles, although with orbital-rotational parameters significantly different from present-day due to Earth's tidal dissipation and chaotic episodes in the Solar System since 2.5 Ga. Banding patterns change systematically within the formation in response to slowly varying environmental conditions, which have been interpreted previously to be related to sea level change and basin evolution (3). Researchers, including (2), have questioned the 30 myr duration, suggesting instead that the micro-bands may be annual in scale. This would indicate a much shorter duration of less than 150 kyr for the DGM. In an attempt to determine whether Milankovitch cycles could have generated the meso-band patterns, we present detailed studies of BIF0 and BIF12, which typify the marked changes in meso-banding along the section. Objective procedures are also applied, including ASM (4) and TIMEOPT (5) to test for a range of potential alternative timescales assuming orbital-rotational parameter values modeled for 2.5 Ga. References: (1) Trendall, A.K., Blockley, J.G., GSWA Ann. Rep. 1967, 48, 1968; (2) Trendall, A.K., et al

  17. Polaron Self-localization in White-light Emitting Hybrid Perovskites

    OpenAIRE

    Cortecchia, Daniele; Yin, Jun; Bruno, Annalisa; Lo, Shu-Zee Alencious; Gurzadyan, Gagik G.; Mhaisalkar, Subodh; Brédas, Jean-Luc; Soci, Cesare

    2016-01-01

    Two-dimensional (2D) perovskites with general formula $APbX_4$ are attracting increasing interest as solution processable, white-light emissive materials. Recent studies have shown that their broadband emission is related to the formation of intra-gap color centers; however, the nature and dynamics of the emissive species have remained elusive. Here we show that the broadband photoluminescence of the 2D perovskites $(EDBE)PbCl_4$ and $(EDBE)PbBr_4$ stems from the localization of small polaron...

  18. Formation and coupling of band gaps in a locally resonant elastic system comprising a string with attached resonators

    International Nuclear Information System (INIS)

    Xiao Yong; Mace, Brian R.; Wen Jihong; Wen Xisen

    2011-01-01

    A uniform string with periodically attached spring-mass resonators represents a simple locally resonant continuous elastic system whose band gap mechanisms are basic to more general and complicated problems. In this Letter, analytical models with explicit formulations are provided to understand the band gap mechanisms of such a system. Some interesting phenomena are demonstrated and discussed, such as asymmetric/symmetric attenuation behavior within a resonance gap, and the realization of a super-wide gap due to exact coupling between Bragg and resonance gaps. In addition, some approximate formulas for the evaluation of low frequency resonance gaps are derived using an approach different from existing investigations. - Research highlights: → We examine band gaps in a special one-dimensional locally resonant system. → Bragg and resonance gaps co-exist. → Explicit formulas for locating band edges are derived. → Exact physical models are used to clarify the band gap formation mechanisms. → Coupling between Bragg and resonance gaps leads to a super-wide gap.

  19. Small-polaron model of light atom diffusion

    International Nuclear Information System (INIS)

    Emin, D.

    1977-01-01

    A number of researchers have treated the diffusion of light interstitials in metals in strict analogy with the theory for the hopping diffusion of electrons in low-mobility insulators. In other words, these authors view the diffusion of light atoms as simply being an example of small-polaron hopping motion. In this paper the motion of a small polaron is introduced, and the mechanism of its motion is described. The experimental results are then succinctly presented. Next the physical assumptions implicit in the theory are compared with the situation which is believed to characterize the existence and motion of light interstitial atoms in metals. Concomitantly, the modifications of the small-polaron theory required in applying it to light atom diffusion are ennumerated

  20. Singlet and triplet polaron relaxation in doubly charged self-assembled quantum dots

    International Nuclear Information System (INIS)

    Grange, T; Zibik, E A; Ferreira, R; Bastard, G; Carpenter, B A; Phillips, P J; Stehr, D; Winnerl, S; Helm, M; Steer, M J; Hopkinson, M; Cockburn, J W; Skolnick, M S; Wilson, L R

    2007-01-01

    Polaron relaxation in self-assembled InAs/GaAs quantum dot samples containing 2 electrons per dot is studied using far-infrared, time-resolved pump-probe measurements for transitions between the s-like ground and p-like first excited conduction band states. Spin-flip transitions between singlet and triplet states are observed experimentally in the decay of the absorption bleaching, which shows a clear biexponential dependence. The initial fast decay (∼30 ps) is associated with the singlet polaron decay, while the decay component with the longer time constant (∼5 ns) corresponds to the excited state triplet lifetime. The results are explained by considering the intrinsic Dresselhaus spin-orbit interaction, which induces spin-flip transitions by acoustic phonon emission or phonon anharmonicity. We have calculated the spin-flip decay times, and good agreement is obtained between the experiment and the simulation of the pump-probe signal. Our results demonstrate the importance of spin-mixing effects for intraband energy relaxation in InAs/GaAs quantum dots

  1. The Rapid Formation of Localized Compaction Bands Under Hydrostatic Load Leading to Pore-pressure Transients in Compacting Rocks

    Science.gov (United States)

    Faulkner, D.; Leclere, H.; Bedford, J. D.; Behnsen, J.; Wheeler, J.

    2017-12-01

    Compaction of porous rocks can occur uniformly or within localized deformation bands. The formation of compaction bands and their effects on deformation behaviour are poorly understood. Porosity may be primary and compaction can occur with burial, or it can be produced by metamorphic reactions with a solid volume reduction, that can then undergo collapse. We report results from hydrostatic compaction experiments on porous bassanite (CaSO4.0.5H2O) aggregates. Gypsum (CaSO4.2H2O) is first dehydrated under low effective pressure, 4 MPa, to produce a bassanite aggregate with a porosity of 27%. Compaction is induced by increasing confining pressure at rates from 0.001 MPa/s to 0.02 MPa/s while the sample is maintained at a temperature of 115°C. At slow compaction rates, porosity collapse proceeds smoothly. At higher compaction rates, sudden increases in the pore-fluid pressure occur with a magnitude of 5 MPa. Microstructural investigations using X-ray microtomography and SEM observations show that randomly oriented localized compaction features occur in all samples, where the bulk porosity of 18% outside the band is reduced to 5% inside the band. Previous work on deformation bands has suggested that localized compactive features only form under an elevated differential stress and not under a hydrostatic stress state. The magnitude of the pore-pressure pulses can be explained by the formation of compaction bands. The results indicate that the compaction bands can form by rapid (unstable) propagation across the sample above a critical strain rate, or quasi-statically at low compaction rates without pore-fluid pressure bursts. The absence of pore-fluid pressure bursts at slow compaction rates can be explained by viscous deformation of the bassanite aggregate around the tip of a propagating compaction band, relaxing stress, and promoting stable propagation. Conversely, at higher compaction rates, viscous deformation cannot relax the stress sufficiently and unstable

  2. Logarithmic corrections in a quantization rule. The polaron spectrum

    International Nuclear Information System (INIS)

    Karasev, M.V.; Pereskokov, A.V.

    1994-01-01

    A nonlinear integrodifferential equation that arises in polaron theory is considered. The integral nonlinearity is given by a convolution with the Coulomb potential. Radially symmetric solutions are sought. In the semiclassical limit, an equation for the self-consistent potential is found and studied. The potential has a logarithmic singularity at the origin, and also a turning point at 1. The phase shifts at these points are determined. The quantization rule that takes into account the logarithmic corrections gives a simple asymptotic formula for the polaron spectrum. Global semiclassical solutions of the original nonlinear equation are constructed. 18 refs., 1 tab

  3. Polaronic and dressed molecular states in orbital Feshbach resonances

    Science.gov (United States)

    Xu, Junjun; Qi, Ran

    2018-04-01

    We consider the impurity problem in an orbital Feshbach resonance (OFR), with a single excited clock state | e ↑⟩ atom immersed in a Fermi sea of electronic ground state | g ↓⟩. We calculate the polaron effective mass and quasi-particle residue, as well as the polaron to molecule transition. By including one particle-hole excitation in the molecular state, we find significant correction to the transition point. This transition point moves toward the BCS side for increasing particle densities, which suggests that the corresponding many-body physics is similar to a narrow resonance.

  4. A self-consistent theory of the magnetic polaron

    International Nuclear Information System (INIS)

    Marvakov, D.I.; Kuzemsky, A.L.; Vlahov, J.P.

    1984-10-01

    A finite temperature self-consistent theory of magnetic polaron in the s-f model of ferromagnetic semiconductors is developed. The calculations are based on the novel approach of the thermodynamic two-time Green function methods. This approach consists in the introduction of the ''irreducible'' Green functions (IGF) and derivation of the exact Dyson equation and exact self-energy operator. It is shown that IGF method gives a unified and natural approach for a calculation of the magnetic polaron states by taking explicitly into account the damping effects and finite lifetime. (author)

  5. Problems of linear electron (polaron) transport theory in semiconductors

    CERN Document Server

    Klinger, M I

    1979-01-01

    Problems of Linear Electron (Polaron) Transport Theory in Semiconductors summarizes and discusses the development of areas in electron transport theory in semiconductors, with emphasis on the fundamental aspects of the theory and the essential physical nature of the transport processes. The book is organized into three parts. Part I focuses on some general topics in the theory of transport phenomena: the general dynamical theory of linear transport in dissipative systems (Kubo formulae) and the phenomenological theory. Part II deals with the theory of polaron transport in a crystalline semicon

  6. Correlation between excited d-orbital electron lifetime in polaron dynamics and coloration of WO3 upon ultraviolet exposure

    Science.gov (United States)

    Lee, Young-Ahn; Han, Seung-Ik; Rhee, Hanju; Seo, Hyungtak

    2018-05-01

    Polarons have been suggested to explain the mechanism of the coloration of WO3 induced by UV light. However, despite the many experimental results that support small polarons as a key mechanism, direct observation of the carrier dynamics of polarons have yet to be reported. Here, we investigate the correlation between the electronic structure and the coloration of WO3 upon exposure to UV light in 5% H2/N2 gas and, more importantly, reveal photon-induced excited d-electron generation/relaxation via the W5+ oxidation state. The WO3 is fabricated by radio-frequency magnetron sputtering. X-ray diffraction patterns show that prepared WO3 is amorphous. Optical bandgap of 3.1 eV is measured by UV-vis before and after UV light. The results of Fourier transform infrared and Raman exhibit pristine WO3 is formed with surface H2O. The colored WO3 shows reduced state of W5+ state (34.3 eV) by using X-ray photoelectron spectroscopy. The valence band maximum of WO3 after UV light in H2 is shifted from mid gap to shallow donor by using ultraviolet photoelectron spectroscopy. During the exploration of the carrier dynamics, pump (700 nm)-probe (1000 nm) spectroscopy at the femtosecond scale was used. The results indicated that electron-phonon relaxation of UV-irradiated WO3, which is the origin of the polaron-induced local surface plasmonic effect, is dominant, resulting in slow decay (within a few picoseconds); in contrast, pristine WO3 shows fast decay (less than a picosecond). Accordingly, the long photoinduced carrier relaxation is ascribed to the prolonged hot-carrier lifetime in reduced oxides resulting in a greater number of free d-electrons and, therefore, more interactions with the W5+ sub-gap states.

  7. Theoretical understanding on the v(1)-SO4(2-) band perturbed by the formation of magnesium sulfate ion pairs.

    Science.gov (United States)

    Zhang, Hao; Zhang, Yun-Hong; Wang, Feng

    2009-02-01

    The factors determining the spectroscopic characteristics of the v(1)-SO4(2-) band of the MgSO4 ion pairs are discussed via ab initio calculation, including coupling effect, hydrogen bonding effect, and direct contact effect of Mg2+ with SO4(2-). With the calculation of the heavy water hydrated contact ion pairs (CIP), the overlap between the librations of water and the v(1)-SO4(2-) band can be separated, and thus the coupling effect is abstracted, and this coupling effect leads to a blue shift for the v(1)-SO4(2-) band of 5.6 cm(-1) in the monodentate CIP and 3.6 cm(-1) in the bidentate CIP. The hydrogen bonding between each water molecule without relation to Mg2+ and the sulfate ion makes the v(1)-SO4(2-) band blue shift of 3.7 cm(-1). When the outer-sphere water around Mg2+ are hydrogen bonded between SO4(2-) and Mg2+, it will make the largest disturbance to the v(1)-SO4(2-) band. Moreover, the inner-sphere water can affect the v(1)-SO4(2-) band conjunct with the direct contact of Mg2+ with SO4(2-), showing a blue shift of 14.4 cm(-1) in the solvent-shared ion pair, 22.6 cm(-1) in the monodentate CIP, 4.3 cm(-1) in the bidentate CIP, and 21.4 cm(-1) in the tridentate CIP. At last, the Raman spectral evolution in the efflorescence production process is tried to be rationalized. The shoulder at 995 cm(-1) is attributed to the monodentate CIP with 2-3 outer-sphere water molecules, whereas the new peak at 1021 cm(-1) at high concentration is assigned to the formation of aqueous triple ion.

  8. Trapping, self-trapping and the polaron family

    International Nuclear Information System (INIS)

    Stoneham, A M; Gavartin, J; Shluger, A L; Kimmel, A V; Ramo, D Munoz; Roennow, H M; Aeppli, G; Renner, C

    2007-01-01

    The earliest ideas of the polaron recognized that the coupling of an electron to ionic vibrations would affect its apparent mass and could effectively immobilize the carrier (self-trapping). We discuss how these basic ideas have been generalized to recognize new materials and new phenomena. First, there is an interplay between self-trapping and trapping associated with defects or with fluctuations in an amorphous solid. In high dielectric constant oxides, like HfO 2 , this leads to oxygen vacancies having as many as five charge states. In colossal magnetoresistance manganites, this interplay makes possible the scanning tunnelling microscopy (STM) observation of polarons. Second, excitons can self-trap and, by doing so, localize energy in ways that can modify the material properties. Third, new materials introduce new features, with polaron-related ideas emerging for uranium dioxide, gate dielectric oxides, Jahn-Teller systems, semiconducting polymers and biological systems. The phonon modes that initiate self-trapping can be quite different from the longitudinal optic modes usually assumed to dominate. Fourth, there are new phenomena, like possible magnetism in simple oxides, or with the evolution of short-lived polarons, like muons or excitons. The central idea remains that of a particle whose properties are modified by polarizing or deforming its host solid, sometimes profoundly. However, some of the simpler standard assumptions can give a limited, indeed misleading, description of real systems, with qualitative inconsistencies. We discuss representative cases for which theory and experiment can be compared in detail

  9. Localized polarons and doorway vibrons in finite quantum structures

    Czech Academy of Sciences Publication Activity Database

    Fehske, H.; Wellein, G.; Loos, Jan; Bishop, A. R.

    2008-01-01

    Roč. 77, č. 8 (2008), 085117/1-085117/6 ISSN 1098-0121 Institutional research plan: CEZ:AV0Z10100521 Keywords : quantum dots * electron - phonon interaction * polarons Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.322, year: 2008

  10. Ground state energy of a polaron in a superlattice

    International Nuclear Information System (INIS)

    Mensah, S.Y.; Allotey, F.K.A.; Nkrumah, G.; Mensah, N.G.

    2000-10-01

    The ground state energy of a polaron in a superlattice was calculated using the double-time Green functions. The effective mass of the polaron along the planes perpendicular to the superlattice axis was also calculated. The dependence of the ground state energy and the effective mass along the planes perpendicular to the superlattice axis on the electron-phonon coupling constant α and on the superlattice parameters (i.e. the superlattice period d and the bandwidth Δ) were studied. It was observed that if an infinite square well potential is assumed, the ground state energy of the polaron decreases (i.e. becomes more negative) with increasing α and d, but increases with increasing Δ. For small values of α, the polaron ground state energy varies slowly with Δ, becoming approximately constant for large Δ. The effective mass along the planes perpendicular to the superlattice axis was found to be approximately equal to the mass of an electron for all typical values of α, d and Δ. (author)

  11. Effect of phase formation on valence band photoemission and photoresonance study of Ti/Ni multilayers using synchrotron radiation

    International Nuclear Information System (INIS)

    Bhatt, Pramod; Chaudhari, S.M.

    2006-01-01

    This paper presents investigation of Ti-Ni alloy phase formation and its effect on valence band (VB) photoemission and photoresonance study of as-deposited as well as annealed Ti/Ni multilayers (MLs) up to 600 deg. C using synchrotron radiation. For this purpose [Ti (50 A)/Ni (50 A)]X 10 ML structures were deposited by using electron-beam evaporation technique under ultra-high vacuum (UHV) conditions. Formation of different phases of Ti-Ni alloy due to annealing treatment has been confirmed by the X-ray diffraction (XRD) technique. The XRD pattern corresponding as-deposited ML sample shows crystalline nature of both Ti and Ni deposited layers, whereas 300 deg. C annealed ML sample show solid-state reaction (SSR) leading to amorphization and subsequent recrystallisation at higher temperatures of annealing (≥400 deg. C) with the formation of TiNi, TiNi 3 and Ti 2 Ni alloy phases. The survey scans corresponding to 400, 500 and 600 deg. C annealed ML sample shows interdiffusion and intermixing of Ni atoms into Ti layers leading to chemical Ti-Ni alloys phase formation at interface. The corresponding recorded VB spectra using synchrotron radiation at 134 eV on as-deposited ML sample with successive sputtering shows alternately photoemission bands due to Ti 3d and Ni 3d, respectively, indicating there is no mixing of the consequent layers and any phase formation at the interface during deposition. However, ML samples annealed at higher temperatures of annealing, particularly at 400, 500 and 600 deg. C show a clear shift in Ni 3d band and its satellite peak position to higher BE side indicates Ti-Ni alloy phase formation. In addition to this, reduction of satellite peak intensity and Ni 3d density of states (DOS) near Fermi level is also observed due to Ti-Ni phase formation with higher annealing temperatures. The variable photon energy VB measurements on as-deposited and ML samples annealed at 400 deg. C confirms existence and BE position of observed Ni 3d satellite

  12. Ammonium detection by formation of colored zebra-bands in a detecting tube.

    Science.gov (United States)

    Hori, Tatsuaki; Niki, Keizou; Kiso, Yoshiaki; Oguchi, Tatsuo; Kamimoto, Yuki; Yamada, Toshiro; Nagai, Masahiro

    2010-06-15

    Ammonium ion was colorized by means of a diazo coupling reaction with 2-phenylphenol, where the color development reaction was conducted within 3min by using boric acid as a catalyst. The resulting colored solution (0.5ml) was supplied by suction to a detecting tube consisting of a nonwoven fabric test strip (2mm wide, 1mm thick, 150mm long) impregnated with benzylcetyldimethylammonium chloride in a stripe pattern and enclosed in a heat-shrinkable tube. When the colored solution was supplied to the detecting tube, blue zebra-bands formed, and the ammonium concentration was determined by counting the number of zebra-bands. The detection range was 1-20mg-Nl(-1). Ammonium ion in actual domestic wastewater samples was successfully detected by means of this method.

  13. Measurements of electron avalanche formation time in W-band microwave air breakdown

    International Nuclear Information System (INIS)

    Cook, Alan M.; Hummelt, Jason S.; Shapiro, Michael A.; Temkin, Richard J.

    2011-01-01

    We present measurements of formation times of electron avalanche ionization discharges induced by a focused 110 GHz millimeter-wave beam in atmospheric air. Discharges take place in a free volume of gas, with no nearby surfaces or objects. When the incident field amplitude is near the breakdown threshold for pulsed conditions, measured formation times are ∼0.1-2 μs over the pressure range 5-700 Torr. Combined with electric field breakdown threshold measurements, the formation time data shows the agreement of 110 GHz air breakdown with the similarity laws of gas discharges.

  14. Measurements of electron avalanche formation time in W-band microwave air breakdown

    Science.gov (United States)

    Cook, Alan M.; Hummelt, Jason S.; Shapiro, Michael A.; Temkin, Richard J.

    2011-08-01

    We present measurements of formation times of electron avalanche ionization discharges induced by a focused 110 GHz millimeter-wave beam in atmospheric air. Discharges take place in a free volume of gas, with no nearby surfaces or objects. When the incident field amplitude is near the breakdown threshold for pulsed conditions, measured formation times are ˜0.1-2 μs over the pressure range 5-700 Torr. Combined with electric field breakdown threshold measurements, the formation time data shows the agreement of 110 GHz air breakdown with the similarity laws of gas discharges.

  15. Rare earth elements in the banded iron formation of the Griqualand West sequence, northern Cape Province, South Africa

    International Nuclear Information System (INIS)

    Horstmann, U.E.; Haelbich, I.W.; Cornell, D.H.

    1990-01-01

    The Proterozoic banded iron-formations (BIF) of the Griqualand West sequence of the Transvaal Supergroup in the northern Cape Province of South Africa have been investigated for their rare earth elements (REE) contents. Twenty three REE analyses were completed using an ICP-AES method. Despite diagenetic and metamorphic processes, it can be concluded from the so far available REE data that the conspicuous differences in REE patterns to those reported from elsewhere indicate the BIF of the Transvaal Supergroup to have originated in relative restricted parts or basins of the Precambrian ocean. 7 refs., 1 fig

  16. Polarons and Mobile Impurities Near a Quantum Phase Transition

    Science.gov (United States)

    Shadkhoo, Shahriar

    This dissertation aims at improving the current understanding of the physics of mobile impurities in highly correlated liquid-like phases of matter. Impurity problems pose challenging and intricate questions in different realms of many-body physics. For instance, the problem of ''solvation'' of charged solutes in polar solvents, has been the subject of longstanding debates among chemical physicists. The significant role of quantum fluctuations of the solvent, as well as the break down of linear response theory, render the ordinary treatments intractable. Inspired by this complicated problem, we first attempt to understand the role of non-specific quantum fluctuations in the solvation process. To this end, we calculate the dynamic structure factor of a model polar liquid, using the classical Molecular Dynamics (MD) simulations. We verify the failure of linear response approximation in the vicinity of a hydrated electron, by comparing the outcomes of MD simulations with the predictions of linear response theory. This nonlinear behavior is associated with the pronounced peaks of the structure factor, which reflect the strong fluctuations of the local modes. A cavity picture is constructed based on heuristic arguments, which suggests that the electron, along with the surrounding polarization cloud, behave like a frozen sphere, for which the linear response theory is broken inside and valid outside. The inverse radius of the spherical region serves as a UV momentum cutoff for the linear response approximation to be applicable. The problem of mobile impurities in polar liquids can be also addressed in the framework of the ''polaron'' problem. Polaron is a quasiparticle that typically acquires an extended state at weak couplings, and crossovers to a self-trapped state at strong couplings. Using the analytical fits to the numerically obtained charge-charge structure factor, a phenomenological approach is proposed within the Leggett's influence functional formalism, which

  17. Thermoelectric power of small polarons in magnetic semiconductors

    International Nuclear Information System (INIS)

    Liu, N.H.; Emin, D.

    1984-01-01

    The thermoelectric power (Seebeck coefficient) α of a small polaron in both ferromagnetic and antiferromagnetic semiconductors and insulators is calculated for the first time. In particular, we obtain the contribution to the Seebeck coefficient arising from exchange interactions between the severely localized carrier (i.e., small polaron) of charge q and the spins of the host lattice. In essence, we study the heat transported along with a carrier. This heat, the Peltier heat, Pi, is related to the Seebeck coefficient by the Kelvin relation: Pi = qTα, where T is the temperature. The heat per carrier is simply the product of the temperature and the change of the entropy of the system when a small polaron is added to it. The magnetic contribution to the Seebeck coefficient is therefore directly related to the change of the magnetic entropy of the system upon introduction of a charge carrier. We explicitly treat the intrasite and intersite exchange interactions between a small polaron and the spins of a spin-1/2 system. These magnetic interactions produce two competing contributions to the Seebeck coefficient. First, adding the carrier tends to provide extra spin freedom (e.g., spin up or spin down of the carrier). This effect augments the entropy of the system, thereby producing a positive contribution to the Peltier heat. Second, however, the additional exchange between the carrier and the sites about it enhances the exchange binding among these sites. This generally reduces the energetically allowable spin configurations. The concomitant reduction of the system's entropy provides a negative contribution to the Peltier heat. At the highest of temperatures, when kT exceeds the intrasite exchange energy, the first effect dominates. Then, the Peltier heat is simply augmented by kT ln2

  18. The nature of Mesoarchaean seawater and continental weathering in 2.85 Ga banded iron formation, Slave craton, NW Canada

    Science.gov (United States)

    Haugaard, Rasmus; Ootes, Luke; Creaser, Robert A.; Konhauser, Kurt O.

    2016-12-01

    Banded iron formations (BIF) have been extensively used as proxies to infer the chemical composition of ancient bulk seawater. However, their proximity to ancient crust suggests that they might also be used to reveal the composition of emergent continental landmass at the time of their deposition. Here we use the combination of geochemistry and Sm-Nd isotopes on a layer-by-layer basis to interpret the relative contributions of hydrothermal, hydrogenous and terrestrial input to one of the oldest documented Superior-type BIF in the world. The ∼2.85 Ga Central Slave Cover Group BIF is deposited within a rift basin related to a continental margin and is found associated with basement gneisses, as well as shoreline and shallow-shelf type facies, such as fuchsitic quartzite and pebble-to-cobble conglomerate, that confirm a near-shore depositional setting for the BIF. The BIF ranges from a pure chemical oxide (magnetite)-silicate (grunerite + actinolite) sediment with low Al2O3 (aged BIF. High-resolution geochemistry shows that there is more silica (19.4 wt.% SiO2) in the iron bands than iron (8.7 wt.% Fe2O3) in the silica bands, implying that dissolved Fe2+ came to the BIF site in pulses and that silica likely represents background deposition. Consistently radiogenic εNd(t) values for the iron bands (average +1.7) show that the dissolved REY in the source water during ferric iron precipitation was provided by submarine hydrothermal fluids with relatively uniform 143Nd/144Nd. The silica bands, by contrast, reveal high variation in seawater 143Nd/144Nd as evident from the bimodal εNd(t) distribution with one segment exhibiting negative εNd(t) values averaging -1.1 and another with positive εNd(t) values averaging +2.5. This suggests input of dissolved REY into the upper seawater from weathering of isotopically different crustal components in the source region. Collectively, we speculate that the low REY in the upper seawater and the overall low Ni content implies a

  19. Faraday rotation by the undisturbed bulk and by photoinduced giant polarons in EuTe

    Science.gov (United States)

    Henriques, A. B.; Usachev, P. A.

    2017-11-01

    A quantum mechanical model is developed for the Faraday effect in europium telluride, for photons of energy within the transparency gap. The model is based on the well known band edge electronic energy states in EuTe. A concise expression for the Verdet constant is obtained, determined by few parameters already available in the literature. The Verdet constant adopted here, defined by the ratio between the Faraday rotation angle and the magnetization, is in effect temperature independent. Its dependence on the photon energy and applied magnetic field is in excellent agreement with published results. Below 3 T the Verdet constant is also nearly independent on field, but above 3 T at low temperatures it increases due to the band gap redshift. The model is used to calculate the photoinduced Faraday rotation associated with photoinduced giant magnetic polarons in EuTe. The theoretical photoinduced Faraday rotation excitation describes quite well the main features seen experimentally. Due to the common band-edge electronic energy structure, the model reported here could be extended to all other europium chalcogenides.

  20. Absolute instability of polaron mode in semiconductor magnetoplasma

    Science.gov (United States)

    Paliwal, Ayushi; Dubey, Swati; Ghosh, S.

    2018-01-01

    Using coupled mode theory under hydrodynamic regime, a compact dispersion relation is derived for polaron mode in semiconductor magnetoplasma. The propagation and amplification characteristics of the wave are explored in detail. The analysis deals with the behaviour of anomalous threshold and amplification derived from dispersion relation, as function of external parameters like doping concentration and applied magnetic field. The results of this investigation are hoped to be useful in understanding electron-longitudinal optical phonon interplay in polar n-type semiconductor plasmas under the influence of coupled collective cyclotron excitations. The best results in terms of smaller threshold and higher gain of polaron mode could be achieved by choosing moderate doping concentration in the medium at higher magnetic field. For numerical appreciation of the results, relevant data of III-V n-GaAs compound semiconductor at 77 K is used. Present study provides a qualitative picture of polaron mode in magnetized n-type polar semiconductor medium duly shined by a CO2 laser.

  1. SPATIALLY RESOLVED STAR FORMATION HISTORY ALONG THE DISK OF M82 USING MULTI-BAND PHOTOMETRIC DATA

    International Nuclear Information System (INIS)

    Rodriguez-Merino, L. H.; Rosa-Gonzalez, D.; Mayya, Y. D.

    2011-01-01

    We present results on the star formation history and extinction in the disk of M82 over spatial scales of 10'' (∼180 pc). Multi-band photometric data covering the far-ultraviolet to the near-infrared bands were fitted to a grid of synthetic spectral energy distributions. We obtained distribution functions of age and extinction for each of the 117 apertures analyzed, taking into account observational errors through Monte Carlo simulations. These distribution functions were fitted with Gaussian functions to obtain the mean ages and extinctions together with their errors. The zones analyzed include the high surface brightness complexes defined by O'Connell and Mangano. We found that these complexes share the same star formation history and extinction as the field stellar populations in the disk. There is an indication that the stellar populations are marginally older at the outer disk (450 Myr at ∼3 kpc) as compared to the inner disk (100 Myr at 0.5 kpc). For the nuclear region (radius less than 500 pc), we obtained an age of less than 10 Myr. The results obtained in this work are consistent with the idea that the 0.5-3 kpc part of the disk of M82 formed around 90% of the stellar mass in a star-forming episode that started around 450 Myr ago and lasted for about 350 Myr. We found that field stars are the major contributors to the flux over the spatial scales analyzed in this study, with the stellar cluster contribution being 7% in the nucleus and 0.7% in the disk.

  2. Methodology for determination of trace elements in mineral phases of iron banded formation by LA-ICP-MS

    International Nuclear Information System (INIS)

    Sousa, Denise V.M. de; Nalini Junior, Herminio A.; Sampaio, Geraldo M.S.; Abreu, Adriana T. de; Lana, Cristiano de C.

    2015-01-01

    The study of the chemical composition of mineral phases of iron formation (FF), especially of trace elements, is an important tool in the understanding of the genesis of these rocks and the contribution of the phases in the composition of whole rock. Low mass fraction of such elements in the mineral phases present in this rock type requires a suitable analytical procedure. The laser ablation technique coupled with ICP-MS (LA-ICP-MS) has been widely used for determination of trace elements in geological samples. Thus, the aim of this study is to develop calibration curves for determination of trace elements (Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb and Lu) in mineral phases of banded iron formations by LA-ICP-MS. Several certified reference materials (CRM) were used for calibrate the equipment. The analytical conditions were checked by CRM NIST SRM 614. The results were satisfactory, since the curves showed good linearity coefficients, good accuracy and precision of results. (author)

  3. Asymptotic dependence of Gross–Tulub polaron ground-state energy in the strong coupling region

    Directory of Open Access Journals (Sweden)

    N.I. Kashirina

    2017-12-01

    Full Text Available The properties of translationally invariant polaron functional have been investigated in the region of strong and extremely strong coupling. It has been shown that the Gross–Tulub polaron functional obtained earlier using the methods of field theory was derived only for the region , where is the Fröhlich constant of the electron-phonon coupling. Various representations of exact and approximate polaron functionals have been considered. Asymptotic dependences of the polaron energy have been obtained using a functional extending the Gross–Tulub functional to the region of extremely strong coupling. The asymptotic dependence of polaron energies for an extremely strong coupling are (for the one-parameter variational function fk, and (for a two-parameter function . It has been shown that the virial theorem 1:3:4 holds for the two-parameter function . Minimization of the approximate functional obtained by expanding the exact Gross–Tulub functional in a series on leads to a quadratic dependence of the polaron energy. This approximation is justified for . For a two-parameter function , the corresponding dependence has the form . However, the use of approximate functionals, in contrast to the strict variational procedure, when the exact polaron functional varies, does not guarantee obtaining the upper limit for the polaron energy.

  4. Updating the Geologic Barcodes for South China: Discovery of Late Archean Banded Iron Formations in the Yangtze Craton.

    Science.gov (United States)

    Ye, Hui; Wu, Chang-Zhi; Yang, Tao; Santosh, M; Yao, Xi-Zhu; Gao, Bing-Fei; Wang, Xiao-Lei; Li, Weiqiang

    2017-11-08

    Banded iron formations (BIFs) in Archean cratons provide important "geologic barcodes" for the global correlation of Precambrian sedimentary records. Here we report the first finding of late Archean BIFs from the Yangtze Craton, one of largest Precambrian blocks in East Asia with an evolutionary history of over 3.3 Ga. The Yingshan iron deposit at the northeastern margin of the Yangtze Craton, displays typical features of BIF, including: (i) alternating Si-rich and Fe-rich bands at sub-mm to meter scales; (ii) high SiO 2  + Fe 2 O 3total contents (average 90.6 wt.%) and Fe/Ti ratios (average 489); (iii) relative enrichment of heavy rare earth elements and positive Eu anomalies (average 1.42); (iv) and sedimentary Fe isotope compositions (δ 56 Fe IRMM-014 as low as -0.36‰). The depositional age of the BIF is constrained at ~2464 ± 24 Ma based on U-Pb dating of zircon grains from a migmatite sample of a volcanic protolith that conformably overlied the Yingshan BIF. The BIF was intruded by Neoproterozoic (805.9 ± 4.7 Ma) granitoids that are unique in the Yangtze Craton but absent in the North China Craton to the north. The discovery of the Yingshan BIF provides new constraints for the tectonic evolution of the Yangtze Craton and has important implications in the reconstruction of Pre-Nuna/Columbia supercontinent configurations.

  5. Repulsive polarons and itinerant ferromagnetism in strongly polarized Fermi gases

    DEFF Research Database (Denmark)

    Massignan, Pietro; Bruun, Georg

    2011-01-01

    We analyze the properties of a single impurity immersed in a Fermi sea. At positive energy and scattering lengths, we show that the system possesses a well-defined but metastable excitation, the repulsive polaron, and we calculate its energy, quasiparticle residue and effective mass. From...... polarized (ferromagnetic) domains are then examined for a binary mixture of atoms with a general mass ratio. Our results indicate that mass imbalance lowers the critical interaction strength for phase-separation, but that very short quasiparticle decay times will complicate the experimental observation...

  6. Quantum transition and decoherence of levitating polaron on helium film thickness under an electromagnetic field

    Science.gov (United States)

    Kenfack, S. C.; Fotue, A. J.; Fobasso, M. F. C.; Djomou, J.-R. D.; Tiotsop, M.; Ngouana, K. S. L.; Fai, L. C.

    2017-12-01

    We have studied the transition probability and decoherence time of levitating polaron in helium film thickness. By using a variational method of Pekar type, the ground and the first excited states of polaron are calculated above the liquid-helium film placed on the polar substrate. It is shown that the polaron transits from the ground to the excited state in the presence of an external electromagnetic field in the plane. We have seen that, in the helium film, the effects of the magnetic and electric fields on the polaron are opposite. It is also shown that the energy, transition probability and decoherence time of the polaron depend sensitively on the helium film thickness. We found that decoherence time decreases as a function of increasing electron-phonon coupling strength and the helium film thickness. It is seen that the film thickness can be considered as a new confinement in our system and can be adjusted in order to reduce decoherence.

  7. The cytoskeletal binding domain of band 3 is required for multiprotein complex formation and retention during erythropoiesis

    Science.gov (United States)

    Satchwell, Timothy J; Hawley, Bethan R; Bell, Amanda J; Ribeiro, M. Leticia; Toye, Ashley M

    2015-01-01

    Band 3 is the most abundant protein in the erythrocyte membrane and forms the core of a major multiprotein complex. The absence of band 3 in human erythrocytes has only been reported once, in the homozygous band 3 Coimbra patient. We used in vitro culture of erythroblasts derived from this patient, and separately short hairpin RNA-mediated depletion of band 3, to investigate the development of a band 3-deficient erythrocyte membrane and to specifically assess the stability and retention of band 3 dependent proteins in the absence of this core protein during terminal erythroid differentiation. Further, using lentiviral transduction of N-terminally green fluorescent protein-tagged band 3, we demonstrated the ability to restore expression of band 3 to normal levels and to rescue secondary deficiencies of key proteins including glycophorin A, protein 4.2, CD47 and Rh proteins arising from the absence of band 3 in this patient. By transducing band 3-deficient erythroblasts from this patient with band 3 mutants with absent or impaired ability to associate with the cytoskeleton we also demonstrated the importance of cytoskeletal connectivity for retention both of band 3 and of its associated dependent proteins within the reticulocyte membrane during the process of erythroblast enucleation. PMID:25344524

  8. Hole localization, migration, and the formation of peroxide anion in perovskite SrTiO3

    Science.gov (United States)

    Chen, Hungru; Umezawa, Naoto

    2014-07-01

    Hybrid density functional calculations are carried out to investigate the behavior of holes in SrTiO3. As in many other oxides, it is shown that a hole tend to localize on one oxygen forming an O- anion with a concomitant lattice distortion; therefore a hole polaron. The calculated emission energy from the recombination of the localized hole and a conduction-band electron is about 2.5 eV, in good agreement with experiments. Therefore the localization of the hole or self-trapping is likely to be responsible for the green photoluminescence at low temperature, which was previously attributed to an unknown defect state. Compared to an electron, the calculated hole polaron mobility is three orders of magnitude lower at room temperature. In addition, two O- anions can bind strongly to form an O22- peroxide anion. No electronic states associated with the O22- peroxide anion are located inside the band gap or close to the band edges, indicating that it is electronically inactive. We suggest that in addition to the oxygen vacancy, the formation of the O22- peroxide anion can be an alternative to compensate acceptor doping in SrTiO3.

  9. Banded Iron Formations

    DEFF Research Database (Denmark)

    Posth, Nicole R; Konhauser, Kurt O; Kappler, Andreas

    2011-01-01

    Sedimentary deposits of alternating iron-rich (20–40% Fe) and iron-poor, siliceous (40–50% SiO2) mineral layers that primarily precipitated throughout much of the late Archean (2.7–2.5 Ga) and Paleoproterozoic (2.5– 1.8 Ga), but then remerged in the Neoproterozoic (0.8 Ga).......Sedimentary deposits of alternating iron-rich (20–40% Fe) and iron-poor, siliceous (40–50% SiO2) mineral layers that primarily precipitated throughout much of the late Archean (2.7–2.5 Ga) and Paleoproterozoic (2.5– 1.8 Ga), but then remerged in the Neoproterozoic (0.8 Ga)....

  10. Silicon Promotes Exodermal Casparian Band Formation in Si-Accumulating and Si-Excluding Species by Forming Phenol Complexes.

    Directory of Open Access Journals (Sweden)

    Alexander T Fleck

    Full Text Available We studied the effect of Silicon (Si on Casparian band (CB development, chemical composition of the exodermal CB and Si deposition across the root in the Si accumulators rice and maize and the Si non-accumulator onion. Plants were cultivated in nutrient solution with and without Si supply. The CB development was determined in stained root cross-sections. The outer part of the roots containing the exodermis was isolated after enzymatic treatment. The exodermal suberin was transesterified with MeOH/BF3 and the chemical composition was measured using gas chromatography-mass spectroscopy (GC-MS and flame ionization detector (GC-FID. Laser ablation-inductively coupled plasma-mass spectroscopy (LA-ICP-MS was used to determine the Si deposition across root cross sections. Si promoted CB formation in the roots of Si-accumulator and Si non-accumulator species. The exodermal suberin was decreased in rice and maize due to decreased amounts of aromatic suberin fractions. Si did not affect the concentration of lignin and lignin-like polymers in the outer part of rice, maize and onion roots. The highest Si depositions were found in the tissues containing CB. These data along with literature were used to suggest a mechanism how Si promotes the CB development by forming complexes with phenols.

  11. Peltier heat of a small polaron in a magnetic semiconductor

    International Nuclear Information System (INIS)

    Liu, N.H.; Emin, D.

    1985-01-01

    For the first time the heat transported with a small polaron in both antiferromagnetic and ferromagnetic semiconductors is calculated. This heat, the Peltier heat, π, is obtained from the change of the entropy of the total system upon introduction of a charge carrier. We explicitly consider both the intrasite and intersite exchange interactions between a small polaron and the interacting spins of a spin-1/2 magnet. There are two competing magnetic contributions to the Peltier heat. First, adding the carrier increases the spin entropy of the system. This provides a positive contribution to π. Second, the exchange between the carrier and the sites about it enhances the exchange binding between these sites. This reduces the energetically allowable spin configurations and provides a negative contribution to π. At extremely high temperatures when kT exceeds the intrasite exchange energy, the first effect dominates. Then π is simply augmented by kT ln 2. However, well below the magnetic transition temperature the second effect dominates. In the experimentally accessible range between these limits both effects are comparable and sizable. The net magnetic contribution to the Peltier heat rises with temperature. Thus, a carrier's interactions with its magnetic environment produces a significant and distinctive contribution to its Peltier heat

  12. Peltier heat of a small polaron in a magnetic semiconductor

    International Nuclear Information System (INIS)

    Liu, N.L.H.; Emin, D.

    1984-01-01

    The heat transported with a small polaron in both antiferromagnetic and ferromagnetic semiconductors is calculated. This heat, the Peltier heat, π, is obtained from the change of the entropy of the total system upon introduction of a charge carrier. We explicitly consider both the intrasite and intersite exchange interactions between a small polaron and the interacting spins of a spin-1/2 magnet. There are two competing magnetic contributions to the Peltier heat. First, adding the carrier increases the spin entropy of the system. This provides a positive contribution to π. Second, the exchange between the carrier and the sites about it enhances the exchange binding between these sites. This reduces the energetically allowable spin configurations and provides a negative contribution to π. At extremely high temperature when kT exceeds the intrasite exchange energy, the first effect dominates. Then π is simply augmented by kTln2. However, well below the magnetic transition temperature the second effect dominates. In the experimentally accessible range between these limits both effects are comparable and sizable. The net magnetic contribution to the Peltier heat rises with temperature. Thus, a carrier's interactions with its magnetic environment produces a significant and distinctive contribution to its Peltier heat

  13. Evidence for polaron conduction in nanostructured manganese ferrite

    International Nuclear Information System (INIS)

    Gopalan, E Veena; Anantharaman, M R; Malini, K A; Saravanan, S; Kumar, D Sakthi; Yoshida, Yasuhiko

    2008-01-01

    Nanoparticles of manganese ferrite were prepared by the chemical co-precipitation technique. The dielectric parameters, namely, real and imaginary dielectric permittivity (ε' and ε-prime), ac conductivity (σ ac ) and dielectric loss tangent (tanδ), were measured in the frequency range of 100 kHz-8 MHz at different temperatures. The variations of dielectric dispersion (ε') and dielectric absorption (ε-prime) with frequency and temperature were also investigated. The variation of dielectric permittivity with frequency and temperature followed the Maxwell-Wagner model based on interfacial polarization in consonance with Koops phenomenological theory. The dielectric loss tangent and hence ε-prime exhibited a relaxation at certain frequencies and at relatively higher temperatures. The dispersion of dielectric permittivity and broadening of the dielectric absorption suggest the possibility of a distribution of relaxation time and the existence of multiple equilibrium states in manganese ferrite. The activation energy estimated from the dielectric relaxation is found to be high and is characteristic of polaron conduction in the nanosized manganese ferrite. The ac conductivity followed a power law dependence σ ac = Bω n typical of charge transport assisted by a hopping or tunnelling process. The observed minimum in the temperature dependence of the frequency exponent n strongly suggests that tunnelling of the large polarons is the dominant transport process

  14. The role of deep acceptor centers in the oxidation of acceptor-doped wide-band-gap perovskites ABO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Putilov, L.P., E-mail: lev.putilov@gmail.com; Tsidilkovski, V.I.

    2017-03-15

    The impact of deep acceptor centers on defect thermodynamics and oxidation of wide-band-gap acceptor-doped perovskites without mixed-valence cations is studied. These deep centers are formed by the acceptor-bound small hole polarons whose stabilization energy can be high enough (significantly higher than the hole-acceptor Coulomb interaction energy). It is shown that the oxidation enthalpy ΔH{sub ox} of oxide is determined by the energy ε{sub A} of acceptor-bound states along with the formation energy E{sub V} of oxygen vacancies. The oxidation reaction is demonstrated to be either endothermic or exothermic, and the regions of ε{sub A} and E{sub V} values corresponding to the positive or negative ΔH{sub ox} are determined. The contribution of acceptor-bound holes to the defect thermodynamics strongly depends on the acceptor states depth ε{sub A}: it becomes negligible at ε{sub A} less than a certain value (at which the acceptor levels are still deep). With increasing ε{sub A}, the concentration of acceptor-bound small hole polarons can reach the values comparable to the dopant content. The results are illustrated with the acceptor-doped BaZrO{sub 3} as an example. It is shown that the experimental data on the bulk hole conductivity of barium zirconate can be described both in the band transport model and in the model of hopping small polarons localized on oxygen ions away from the acceptor centers. Depending on the ε{sub A} magnitude, the oxidation reaction can be either endothermic or exothermic for both mobility mechanisms.

  15. Thyroid Hormone-Dependent Formation of a Subcortical Band Heterotopia (SBH) in the Neonatal Brain is not Exacerbated Under Conditions of Low Dietary Iron

    Science.gov (United States)

    Thyroid hormones (TH) are critical for brain development. Modest TH insufficiency in pregnant rats induced by propylthiouracil (PTU) results in formation of a structural abnormality, a subcortical band heterotopia (SBH), in brains of offspring. PTU reduces TH by inhibiting the s...

  16. Preservation of carbohydrates through sulfurization in a Jurassic euxinic shelf sea: Examination of the Blackstone Band TOC-cycle in the Kimmeridge Clay Formation, UK

    NARCIS (Netherlands)

    Dongen, B.E. van; Schouten, S.; Sinninghe Damsté, J.S.

    2006-01-01

    A complete total organic carbon (TOC) cycle in the Upper Jurassic Kimmeridge Clay Formation (KCF) comprising the extremely TOC-rich (34%) Blackstone Band was studied to investigate the controlling factors on TOC accumulation. Compared with the under- and overlying strata, TOC in the Blackstone

  17. Large polaron tunneling, magnetic and impedance analysis of magnesium ferrite nanocrystallite

    Energy Technology Data Exchange (ETDEWEB)

    Mahato, Dev K., E-mail: drdevkumar@yahoo.com [Department of Physics, National Institute of Technology Patna, Patna 800 005 (India); Majumder, Sumit [Department of Physics, Jadavpur University, Kolkata 700032 (India); Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700 064 (India); Banerjee, S. [Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700 064 (India)

    2017-08-15

    Graphical abstract: The diffraction peaks corresponding to the planes (111), (220), (311), (222), (400), (422), (511), (440), (620), (533) and (444) provide a clear evidence for the formation of spinel structure of the ferrites. The lattice parameter ‘a’ determined as 8.392 Å matches well with JCPDS (73-2410) file for MgFe{sub 2}O{sub 4.} The volume of the unit cell is 591.012 Å{sup 3}. The crystallite size of the synthesized powder estimated from X-ray peak broadening of (311) highest intensity diffraction peak using Scherer formula was 56.4 nm. - Highlights: • Both the grain and grain boundaries contribution to conductivity of the Mg-ferrite has been observed. • Polydispersive nature of the material is checked using Cole – Cole relation. • The ac conductivity of magnesium ferrite followed σ{sub ac} ∝ ω{sup n} dependence. • The variation of the exponent ‘n’ with temperature suggests that overlapping large polaron tunnelling is the dominant conduction mechanism. • The superparamagnetic behavior of this Mg-ferrite has been observed for sample S1 annealed at 500 °C. - Abstract: Single phase MgFe{sub 2}O{sub 4} (MFO) ferrite was prepared through sol-gel auto-combustion route. The Rietveld analysis of X-ray patterns reveals that our samples are single phase. The increase in average particle size with annealing temperature and formation of nanoparticle agglomerates is observed in MgFe{sub 2}O{sub 4}. The structural morphology of the nanoparticles is studied using Scanning Electron Microscopy (SEM). Formation of spinel structure is confirmed using Fourier transform infrared spectroscopy (FTIR). The Zero-Field-Cooled (ZFC) and Field-Cooled (FC) magnetization measurements show the maximum irreversibility at 700 °C annealing temperature. The formation of a maximum at blocking temperature, T{sub B}∼ 180 K for sample annealed at 500 °C in the ZFC curve shows the superparamagnetic behavior of the sample. The increase of saturation magnetism (M

  18. Transport through a vibrating quantum dot: Polaronic effects

    International Nuclear Information System (INIS)

    Koch, T; Alvermann, A; Fehske, H; Loos, J; Bishop, A R

    2010-01-01

    We present a Green's function based treatment of the effects of electron-phonon coupling on transport through a molecular quantum dot in the quantum limit. Thereby we combine an incomplete variational Lang-Firsov approach with a perturbative calculation of the electron-phonon self energy in the framework of generalised Matsubara Green functions and a Landauer-type transport description. Calculating the ground-state energy, the dot single-particle spectral function and the linear conductance at finite carrier density, we study the low-temperature transport properties of the vibrating quantum dot sandwiched between metallic leads in the whole electron-phonon coupling strength regime. We discuss corrections to the concept of an anti-adiabatic dot polaron and show how a deformable quantum dot can act as a molecular switch.

  19. Proton impurity in the neutron matter: a nuclear polaron problem

    Energy Technology Data Exchange (ETDEWEB)

    Kutschera, M [Institute of Nuclear Physics, Cracow (Poland); Wojcik, W [Politechnika Krakowska, Cracow (Poland)

    1992-10-01

    We study interactions of a proton impurity with density oscillations of the neutron matter in a Debye approximation. The proton-phonon coupling is of the deformation-potential type at long wavelengths. It is weak at low density and increases with the neutron matter density. We calculate the proton`s effective mass perturbatively for a weak coupling, and use a canonical transformation technique for stronger couplings. The proton`s effective mass grows significantly with density, and at higher densities the proton impurity can be localized. This behaviour is similar to that of the polaron in solids. We obtain properties of the localized proton in the strong coupling regime from variational calculations, treating the neutron in the Thomas-Fermi approximation. (author). 14 refs, 8 figs.

  20. Polarons induced electronic transport, dielectric relaxation and magnetodielectric coupling in spin frustrated Ba{sub 2}FeWO{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Pezhumkattil Palakkal, Jasnamol [Academy of Scientific and Innovative Research (AcSIR), CSIR—National Institute for Interdisciplinary Science and Technology (CSIR-NIIST) Campus, Trivandrum 695 019 (India); Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, CSIR, Trivandrum 695 019 (India); Lekshmi, P. Neenu; Thomas, Senoy [Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, CSIR, Trivandrum 695 019 (India); Valant, Matjaz [Materials Research Laboratory, University of Nova Gorica, Nova Gorica 5000 (Slovenia); Suresh, K.G. [Department of Physics, Indian Institute of Technology Bombay, Mumbai 400 076 (India); Varma, Manoj Raama, E-mail: manoj@niist.res.in [Academy of Scientific and Innovative Research (AcSIR), CSIR—National Institute for Interdisciplinary Science and Technology (CSIR-NIIST) Campus, Trivandrum 695 019 (India); Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, CSIR, Trivandrum 695 019 (India)

    2016-04-15

    Highlights: • Ordered double perovskite Ba{sub 2}FeWO{sub 6} synthesized in reducing atmosphere possess a tetragonal I4/m crystal structure with mixed valent Fe/W cations. • Ba{sub 2}FeWO{sub 6} has an antiferromagnetic structure with T{sub N} at 19 K. • Insulating Ba{sub 2}FeWO{sub 6} shows different conducting mechanisms at different temperature regions and dielectric relaxation. • The polarons invoked by the mixed valence state of cations and their disordered arrangements are solely responsible for the various physical phenomena observed in Ba{sub 2}FeWO{sub 6}. - Abstract: Mixed valent double perovskite Ba{sub 2}FeWO{sub 6}, with tetragonal crystal structure, synthesized in a highly controlled reducing atmosphere, shows antiferromagnetic transition at T{sub N} = 19 K. A cluster glass-like transition is observed around 30 K arising from the competing interactions between inhomogeneous magnetic states. The structural distortion leads to the formation of polarons that are not contributing to DC conduction below charge ordering temperature, T{sub CO} = 279 K. Above T{sub CO}, small polarons will start to hop by exploiting thermal energy and participate in the conduction mechanism. The polarons are also responsible for the dielectric relaxor behavior, in which the dielectric relaxation time follows non-linearity in temperature as proposed by Fulcher. The material also exhibits a small room temperature magnetoresistance of 1.7% at 90 kOe. An intrinsic magnetodielectric coupling of ∼4% near room temperature and at lower temperatures, as well as an extrinsic magnetodielectric coupling change from +4% to −6% at around 210 K are reported.

  1. The formation of α-phase SnS nanorods by PVP assisted polyol synthesis: Phase stability, micro structure, thermal stability and defects induced energy band transitions

    Energy Technology Data Exchange (ETDEWEB)

    Baby, Benjamin Hudson; Mohan, D. Bharathi, E-mail: d.bharathimohan@gmail.com

    2017-05-01

    We report the formation of single phase of SnS nanostructure through PVP assisted polyol synthesis by varying the source concentration ratio (Sn:S) from 1:1M to 1:12M. The effect of PVP concentration and reaction medium towards the preparation of SnS nanostructure is systematically studied through confocal Raman spectrometer, X-ray diffraction, thermogravimetry analysis, scanning electron microscope, transmission electron microscopy, X-ray photoelectron spectroscopy, UV–Vis–NIR absorption and fluorescence spectrophotometers. The surface morphology of SnS nanostructure changes from nanorods to spherical shape with increasing PVP concentration from 0.15M to 0.5M. Raman analysis corroborates that Raman active modes of different phases of Sn-S are highly active when Raman excitation energy is slightly greater than the energy band gap of the material. The presence of intrinsic defects and large number of grain boundaries resulted in an improved thermal stability of 20 °C during the phase transition of α-SnS. Band gap calculation from tauc plot showed the direct band gap of 1.5 eV which is attributed to the single phase of SnS, could directly meet the requirement of an absorber layer in thin film solar cells. Finally, we proposed an energy band diagram for as synthesized single phase SnS nanostructure based on the experimental results obtained from optical studies showing the energy transitions attributed to band edge transition and also due to the presence of intrinsic defects. - Highlights: • PVP stabilizes the orthorhombic (α) phase of SnS. • Optical band gap of P type SnS tuned by PVP for photovoltaic applications. • The formation of Sn rich SnS phase is investigated through XPS analysis. • Intrinsic defects enhance the thermal stability of α-SnS. • The feasibility of energy transition liable to point defects is discussed.

  2. Polaron self-localization in white-light emitting hybrid perovskites

    KAUST Repository

    Cortecchia, Daniele; Yin, Jun; Bruno, Annalisa; Lo, Shu Zee Alencious; Gurzadyan, Gagik G.; Mhaisalkar, Subodh; Bredas, Jean-Luc; Soci, Cesare

    2017-01-01

    within the inorganic perovskite framework. Due to strong Coulombic interactions, these species retain their original excitonic character and form self-trapped polaron-excitons acting as radiative colour centres. These findings are expected to be relevant

  3. Excitonic and Polaronic Properties of 2D Hybrid Organic–Inorganic Perovskites

    KAUST Repository

    Yin, Jun; Li, Hong; Cortecchia, Daniele; Soci, Cesare; Bredas, Jean-Luc

    2017-01-01

    calculations including corrections due to spin orbit couplings and electron hole interactions, a computationally intensive molecular cluster approach is exploited to describe the excitonic and polaronic properties of these 2D perovskites at the atomistic level

  4. A simplified approach to the band gap correction of defect formation energies: Al, Ga, and In-doped ZnO

    Science.gov (United States)

    Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M. N.; Dixit, H.; Lamoen, D.; Partoens, B.

    2013-01-01

    The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the Heyd-Scuseria-Ernzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems.

  5. Comparative analysis of magnetic resonance in the polaron pair recombination and the triplet exciton-polaron quenching models

    Science.gov (United States)

    Mkhitaryan, V. V.; Danilović, D.; Hippola, C.; Raikh, M. E.; Shinar, J.

    2018-01-01

    We present a comparative theoretical study of magnetic resonance within the polaron pair recombination (PPR) and the triplet exciton-polaron quenching (TPQ) models. Both models have been invoked to interpret the photoluminescence detected magnetic resonance (PLDMR) results in π -conjugated materials and devices. We show that resonance line shapes calculated within the two models differ dramatically in several regards. First, in the PPR model, the line shape exhibits unusual behavior upon increasing the microwave power: it evolves from fully positive at weak power to fully negative at strong power. In contrast, in the TPQ model, the PLDMR is completely positive, showing a monotonic saturation. Second, the two models predict different dependencies of the resonance signal on the photoexcitation power, PL. At low PL, the resonance amplitude Δ I /I is ∝PL within the PPR model, while it is ∝PL2 crossing over to PL3 within the TPQ model. On the physical level, the differences stem from different underlying spin dynamics. Most prominently, a negative resonance within the PPR model has its origin in the microwave-induced spin-Dicke effect, leading to the resonant quenching of photoluminescence. The spin-Dicke effect results from the spin-selective recombination, leading to a highly correlated precession of the on-resonance pair partners under the strong microwave power. This effect is not relevant for TPQ mechanism, where the strong zero-field splitting renders the majority of triplets off resonance. On the technical level, the analytical evaluation of the line shapes for the two models is enabled by the fact that these shapes can be expressed via the eigenvalues of a complex Hamiltonian. This bypasses the necessity of solving the much larger complex linear system of the stochastic Liouville equations. Our findings pave the way towards a reliable discrimination between the two mechanisms via cw PLDMR.

  6. First-principles supercell calculations of small polarons with proper account for long-range polarization effects

    Science.gov (United States)

    Kokott, Sebastian; Levchenko, Sergey V.; Rinke, Patrick; Scheffler, Matthias

    2018-03-01

    We present a density functional theory (DFT) based supercell approach for modeling small polarons with proper account for the long-range elastic response of the material. Our analysis of the supercell dependence of the polaron properties (e.g., atomic structure, binding energy, and the polaron level) reveals long-range electrostatic effects and the electron–phonon (el–ph) interaction as the two main contributors. We develop a correction scheme for DFT polaron calculations that significantly reduces the dependence of polaron properties on the DFT exchange-correlation functional and the size of the supercell in the limit of strong el–ph coupling. Using our correction approach, we present accurate all-electron full-potential DFT results for small polarons in rocksalt MgO and rutile TiO2.

  7. Muonium formation via charge transport in solids and liquids

    International Nuclear Information System (INIS)

    Storchak, Vyacheslav G.; Brewer, Jess H.; Cox, Stephen F.J.

    1997-01-01

    We review our recent experimental studies on delayed muonium formation in insulators and semiconductors. This involves the positive muon capturing one of the excess electrons liberated in its own ionization track and competes with recombination or escape of the electrons. The muon is generally found to thermalise well 'downstream' from the center of the electron distribution, so that the transport mechanism of the electrons is a crucial factor. This is discussed in terms of the different tendencies to localization (as polarons in solids or in bubbles in liquids) vs. band-like propagation. Studies of Van der Waals cryocrystals and cryoliquids are reviewed and some preliminary results reported for sapphire and silicon. Transport distances and times are determined from the variation of μSR signal amplitudes with applied electric and magnetic fields, respectively, enabling the development of a new technique for measuring electron mobilities on a microscopic scale

  8. Phosphogenesis in the 2460 and 2728 million-year-old banded iron formations as evidence for biological cycling of phosphate in the early biosphere.

    Science.gov (United States)

    Li, Yi-Liang; Sun, Si; Chan, Lung S

    2012-01-01

    The banded iron formation deposited during the first 2 billion years of Earth's history holds the key to understanding the interplay between the geosphere and the early biosphere at large geological timescales. The earliest ore-scale phosphorite depositions formed almost at ∼2.0-2.2 billion years ago bear evidence for the earliest bloom of aerobic life. The cycling of nutrient phosphorus and how it constrained primary productivity in the anaerobic world of Archean-Palaeoproterozoic eons are still open questions. The controversy centers about whether the precipitation of ultrafine ferric oxyhydroxide due to the microbial Fe(II) oxidation in oceans earlier than 1.9 billion years substantially sequestrated phosphate, and whether this process significantly limited the primary productivity of the early biosphere. In this study, we report apatite radial flowers of a few micrometers in the 2728 million-year-old Abitibi banded iron formation and the 2460 million-year-old Kuruman banded iron formation and their similarities to those in the 535 million-year-old Lower Cambrian phosphorite. The lithology of the 535 Million-year-old phosphorite as a biosignature bears abundant biomarkers that reveal the possible similar biogeochemical cycling of phosphorus in the Later Archean and Palaeoproterozoic oceans. These apatite radial flowers represent the primary precipitation of phosphate derived from the phytoplankton blooms in the euphotic zones of Neoarchean and Palaoeproterozoic oceans. The unbiased distributions of the apatite radial flowers within sub-millimeter bands do not support the idea of an Archean Crisis of Phosphate. This is the first report of the microbial mediated mineralization of phosphorus before the Great Oxidation Event when the whole biosphere was still dominated by anaerobic microorganisms.

  9. Small polaron conduction in lead modified lanthanum ferrite ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Bhargav, K.K.; Ram, S.; Majumder, S.B., E-mail: subhasish@matsc.iitkgp.ernet.in

    2015-07-25

    Highlights: • La{sub 0.8}Pb{sub 0.2}FeO{sub 3} (ε{sub r} ∼ 30,000) shows higher dielectric constant than LaFeO{sub 3} (∼14,000). • Lower A-site dopant content, the dielectric maxima shift to higher temperature. • The frequency dependence of ε{sub r} and tan δ vs. temperature exhibit CDC like behavior. • R{sub g} and R{sub gb} of Pb modified LaFeO{sub 3} follow small polaron hopping conduction model. - Abstract: In the present work we have illustrated the physics of the electrical characteristics of nanocrystalline La{sub 1−x}Pb{sub x}FeO{sub 3,} (0 ⩽ x ⩽ 0.2) powder prepared using auto-combustion synthesis. The effect of lead doping on the dielectric, impedance and ac conductivity characteristics of lanthanum ferrite has systematically been investigated. The synthesized powders were phase pure and crystallized into centro-symmetric Pnma space group. As compared to pure LaFeO{sub 3} ceramics (dielectric constant ∼ 14,000), the dielectric constant is grossly increased (∼30,000) in Pb doped LaFeO{sub 3}. The temperature dependence of dielectric constant of 10.0 at.% Pb doped LaFeO{sub 3} exhibits dielectric maxima similar to that observed in ferroelectric ceramics with non-centrosymmetric point group. For La{sub 0.8}Pb{sub 0.2}FeO{sub 3} ceramics, the frequency dependence of the dielectric constant and loss tangent at various temperatures (300–450 K) exhibit typical colossal dielectric constant (CDC) like behavior. From the impedance spectroscopy we have estimated the grain and grain boundary resistance and capacitance of Pb doped LaFeO{sub 3} that follow a small polaron hopping conduction model. Long range movement of the charge carriers govern the CDC behavior.

  10. Morphological Development of Melt Crystallized Poly(propylene oxide) by In Situ AFM: Formation of Banded Spherulites

    NARCIS (Netherlands)

    Beekmans, L.G.M.; Hempenius, Mark A.; Vancso, Gyula J.

    2004-01-01

    The morphology of poly(propylene oxide) (PPO) crystals grown from the melt was investigated. The spherulites of the optically pure S polymers displayed a regular pattern of concentric rings as observed by polarizing optical microscopy, while the stereocopolymer developed irregularly banded, or

  11. Strong-coupling Bose polarons out of equilibrium: Dynamical renormalization-group approach

    Science.gov (United States)

    Grusdt, Fabian; Seetharam, Kushal; Shchadilova, Yulia; Demler, Eugene

    2018-03-01

    When a mobile impurity interacts with a surrounding bath of bosons, it forms a polaron. Numerous methods have been developed to calculate how the energy and the effective mass of the polaron are renormalized by the medium for equilibrium situations. Here, we address the much less studied nonequilibrium regime and investigate how polarons form dynamically in time. To this end, we develop a time-dependent renormalization-group approach which allows calculations of all dynamical properties of the system and takes into account the effects of quantum fluctuations in the polaron cloud. We apply this method to calculate trajectories of polarons following a sudden quench of the impurity-boson interaction strength, revealing how the polaronic cloud around the impurity forms in time. Such trajectories provide additional information about the polaron's properties which are challenging to extract directly from the spectral function measured experimentally using ultracold atoms. At strong couplings, our calculations predict the appearance of trajectories where the impurity wavers back at intermediate times as a result of quantum fluctuations. Our method is applicable to a broader class of nonequilibrium problems. As a check, we also apply it to calculate the spectral function and find good agreement with experimental results. At very strong couplings, we predict that quantum fluctuations lead to the appearance of a dark continuum with strongly suppressed spectral weight at low energies. While our calculations start from an effective Fröhlich Hamiltonian describing impurities in a three-dimensional Bose-Einstein condensate, we also calculate the effects of additional terms in the Hamiltonian beyond the Fröhlich paradigm. We demonstrate that the main effect of these additional terms on the attractive side of a Feshbach resonance is to renormalize the coupling strength of the effective Fröhlich model.

  12. Effects of compositional defects on small polaron hopping in micas.

    Science.gov (United States)

    Rosso, Kevin M; Ilton, Eugene S

    2005-06-22

    Hartree-Fock calculations and electron transfer (ET) theory were used to model the effects of compositional defects on ET in the brucite-like octahedral sheet of mica. ET was modeled as an Fe(IIIII) valence interchange reaction across shared octahedral edges of the M2-M2 iron sublattice. The model entails the hopping of localized electrons and small polaron behavior. Hartree-Fock calculations indicate that substitution of F for structural OH bridges increases the reorganization energy lambda, decreases the electronic coupling matrix element V(AB), and thereby substantially decreases the hopping rate. The lambda increase arises from modification of the metal-ligand bond force constants, and the V(AB) decrease arises from reduction of superexchange interaction through anion bridges. Deprotonation of an OH bridge, consistent with a possible mechanism of maintaining charge neutrality during net oxidation, yields a net increase in the ET rate. Although substitution of Al or Mg for Fe in M1 sites distorts the structure of adjacent Fe-occupied M2 sites, the distortion has little net impact on ET rates through these M2 sites. Hence the main effect of Al or Mg substitution for Fe, should it occur in the M2 sublattice, is to block ET pathways. Collectively, these findings pave the way for larger-scale oxidation/reduction models to be constructed for realistic, compositionally diverse micas.

  13. Polaron binding energy and effective mass in the GaAs film

    International Nuclear Information System (INIS)

    Wu Zhenhua; Yan Liangxing; Tian Qiang; Li Hua; Liu Bingcan

    2012-01-01

    The binding energy and effective mass of a polaron in a GaAs film deposited on the Al 0.3 Ga 0.7 As substrate are studied theoretically by using the fractional-dimensional space approach. Our calculations show that the polaron binding energy and mass shift decrease monotonously with increasing the film thickness. For the film thicknesses with L w ≤ 70Å and the substrate thicknesses with L b ≤ 200Å, the different values of the substrate thickness influence the polaron binding energy and mass shift in the GaAs film. The polaron binding energy and mass shift increase monotonously with increasing the substrate thickness. For the film thickness with L w ≥ 70Å or the substrate thicknesses with L b ≤ 200Å, the different values of the substrate thickness have no significant influence on the polaron binding energy and mass shift in the GaAs film deposited on the Al 0.3 Ga 0.7 As substrate.

  14. Observation of Spin Polarons in a Tunable Fermi Liquid of Ultracold Atoms

    Science.gov (United States)

    Zwierlein, Martin

    2009-05-01

    We have observed spin polarons, dressed spin down impurities in a spin up Fermi sea of ultracold atoms via tomographic RF spectroscopy. Feshbach resonances allow to freely tune the interactions between the two spin states involved. A single spin down atom immersed in a Fermi sea of spin up atoms can do one of two things: For strong attraction, it can form a molecule with exactly one spin up partner, but for weaker interaction it will spread its attraction and surround itself with a collection of majority atoms. This spin down atom dressed with a spin up cloud constitutes the spin- or Fermi polaron. We have observed a striking spectroscopic signature of this quasi-particle for various interaction strengths, a narrow peak in the spin down spectrum that emerges above a broad background. The spectra allow us to directly measure the polaron energy and the quasi-particle residue Z. The polarons are found to be only weakly interacting with each other, and can thus be identified with the quasi-particles of Landau's Fermi liquid theory. At a critical interaction strength, we observe a transition from spin one-half polarons to spin zero molecules. At this point the Fermi liquid undergoes a phase transition into a superfluid Bose liquid.

  15. Gross–Tulub polaron functional in the region of intermediate and strong coupling

    Directory of Open Access Journals (Sweden)

    N.I. Kashirina

    2017-10-01

    Full Text Available Properties of the polaron functional obtained as a result of averaging the Fröhlich Hamiltonian on the translation-invariant function have been investigated. The polaron functional can be represented in two different forms. It has been shown that the functional of translationally invariant Gross–Tulub polaron cannot be applied in the strong coupling region, where the real part of the complex quantity takes negative values. The function coincides in its structure with the dynamic susceptibility of degenerate electron gas. The necessary condition for obtaining correct results is investigation of the region of admissible values of the Gross–Tulub functional depending on properties of the function , variational parameters, and the electron-phonon interaction parameter α (Fröhlich coupling constant. A simple and exact formula for the recoil energy of the translationally invariant polaron has been derived, which makes it possible to extend the range of admissible values of the parameters of the electron-phonon interaction to the region of extremely strong coupling (α > 10, where . Numerical investigation of different forms of polaron functionals obtained using the field theory methods has been carried out.

  16. Small polaron hopping conduction mechanism in LiFePO4 glass and crystal

    Science.gov (United States)

    Banday, Azeem; Murugavel, Sevi

    2017-01-01

    The optimization of a cathode material is the most important criterion of lithium ion battery technology, which decides the power density. In order to improve the rate capability, a cathode material must possess high electronic and ionic conductivities. Therefore, it is important to understand the charge transport mechanism in such an advanced cathode material in its intrinsic state before modifying it by various means. In this work, we report the thermal, structural, and electrical conductivity studies on lithium iron phosphate, LiFePO4, both in its polycrystalline (LFPC) and glassy (LFPG) counterpart states. The vibrational spectroscopic measurements reveal the characteristic vibrational modes, which are the intrinsic part of LFPC, whereas in LFPG, the phonon modes become broader and overlap with each other due to the lattice disorder. The electrical conductivity measurements reveal that LFPG exhibits a higher polaronic conductivity of 1.6 orders than the LFPC sample. The temperature dependent dc conductivity has been analyzed with the Mott model of polarons and reveals the origin of enhanced polaronic conductivity in LFPG. Based on the analysis, the enhanced polaronic conductivity in LFPG has been attributed to the combined effect of reduced hopping length, decreased activation energy, and enhanced polaron concentration.

  17. Exploring Polaronic, Excitonic Structures and Luminescence in Cs4PbBr6/CsPbBr3.

    Science.gov (United States)

    Kang, Byungkyun; Biswas, Koushik

    2018-02-15

    Among the important family of halide perovskites, one particular case of all-inorganic, 0-D Cs 4 PbBr 6 and 3-D CsPbBr 3 -based nanostructures and thin films is witnessing intense activity due to ultrafast luminescence with high quantum yield. To understand their emissive behavior, we use hybrid density functional calculations to first compare the ground-state electronic structure of the two prospective compounds. The dispersive band edges of CsPbBr 3 do not support self-trapped carriers, which agrees with reports of weak exciton binding energy and high photocurrent. The larger gap 0-D material Cs 4 PbBr 6 , however, reveals polaronic and excitonic features. We show that those lattice-coupled carriers are likely responsible for observed ultraviolet emission around ∼375 nm, reported in bulk Cs 4 PbBr 6 and Cs 4 PbBr 6 /CsPbBr 3 composites. Ionization potential calculations and estimates of type-I band alignment support the notion of quantum confinement leading to fast, green emission from CsPbBr 3 nanostructures embedded in Cs 4 PbBr 6 .

  18. Possibility of observation of polaron normal modes at the far-infrared spectrum of acetanilide and related organics

    Science.gov (United States)

    Kalosakas, G.; Aubry, S.; Tsironis, G. P.

    1998-10-01

    We use a stationary and normal mode analysis of the semiclassical Holstein model in order to connect the low-frequency linear polaron modes to low-lying far-infrared lines of the acetanilide spectrum and through parameter fitting we comment on the validity of the polaron results in this system.

  19. Fingerprints of spin-orbital polarons and of their disorder in the photoemission spectra of doped Mott insulators with orbital degeneracy

    Science.gov (United States)

    Avella, Adolfo; Oleś, Andrzej M.; Horsch, Peter

    2018-04-01

    means of a complementary many-body polaron theory, which yields a similar robust spin and orbital order as the Hartree-Fock approximation. Using realistic parameters for the vanadium perovskite La1 -xCaxVO3 , we show that its soft gap is reproduced as well as the marginal doping dependence of the position of the chemical potential relative to the center of the lower Hubbard band. The present theory uncovers also the reasons why the d1→d0 satellite excitations, which directly probe the effect of the random defect fields on the polaron state, are not well resolved in the available experimental photoemission spectra for La1 -xCaxVO3 .

  20. Formation mechanism of Al-depleted bands in MOVPE-AlGaN layer on GaN template with trenches

    Energy Technology Data Exchange (ETDEWEB)

    Kuwano, Noriyuki [Art, Science and Technology Center for Cooperative Research, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Department of Applied Science for Electronics and Materials, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Ezaki, Tetsuya; Kurogi, Takuya [Department of Applied Science for Electronics and Materials, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Miyake, Hideto; Hiramatsu, Kazumasa [Department of Electrical and Electronic Engineering, Mie University, Tsu, Mie 514-8507 (Japan)

    2010-07-15

    A microstructure in an AlGaN/GaN layer was analyzed in detail by means of transmission electron microscopy (TEM) and scanning electron microscopy (SEM) with special attention to the formation of steps on the surface. The AlGaN layer was grown by MOVPE on a GaN template with periodic trenches. It was revealed that there formed were Al-depleted bands in the AlGaN layer. These bands were generated from rather lower regions in the AlGaN layer or those above the trenches, and run upwards. Some of them reached the top surface to connect a macro step. The formation mechanism of the Al-depleted region is discussed in terms of thermodynamics. If the total bonding energy of atoms on the macro step of surface is assumed to be smaller than that of atoms on a flat surface, the Al-depletion can be explained provided that the local equilibrium in concentration is conserved during the growth of AlGaN layer. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  1. Polaron effects on nonlinear optical rectification in asymmetrical Gaussian potential quantum wells with applied electric fields

    International Nuclear Information System (INIS)

    Wu, Jinghe; Guo, Kangxian; Liu, Guanghui

    2014-01-01

    Polaron effects on nonlinear optical rectification in asymmetrical Gaussian potential quantum wells are studied by the effective mass approximation and the perturbation theory. The numerical results show that nonlinear optical rectification coefficients are strongly dependent on the barrier hight V 0 of the Gaussian potential quantum wells, the range L of the confinement potential and the electric field F. Besides, the numerical results show that no matter how V 0 , L and F change, taking into consideration polaron effects, the optical rectification coefficients χ 0 (2) get greatly enhanced.

  2. Stability and Polaronic Motion of Self-Trapped Holes in Silver Halides

    DEFF Research Database (Denmark)

    Loftager, Simon; Garcia-Fernandez, P.; Aramburu, J. A.

    2016-01-01

    Polarons and their associated transport properties are a field of great current interest both in chemistry and physics. To further our understanding of these quasi-particles, we have carried out first-principles calculations of self-trapped holes (STHs) in the model compounds AgCl and AgBr, for w......Polarons and their associated transport properties are a field of great current interest both in chemistry and physics. To further our understanding of these quasi-particles, we have carried out first-principles calculations of self-trapped holes (STHs) in the model compounds AgCl and Ag...

  3. Quantum Monte Carlo simulations of the Fermi-polaron problem and bosons with Gaussian interactions

    Energy Technology Data Exchange (ETDEWEB)

    Kroiss, Peter Michael

    2017-02-01

    This thesis deals with the application of current Quantum Monte Carlo algorithms to many-body systems of fermionic and bosonic species. The first part applies the diagrammatic Monte Carlo method to the Fermi polaron problem, a system of an impurity interacting resonantly with a homogeneous Fermi bath. It is numerically shown that the three particle-hole diagrams do not contribute significantly to the final answer in a quasi-two-dimensional setup, thus demonstrating a nearly perfect destructive interference of contributions in subspaces with higher-order particle-hole lines. Consequently, for strong-enough confinement in the third direction, the transition between the polaron and the molecule ground state is found to be in good agreement with the pure two-dimensional case and agrees very well with the one found by the wave-function approach in the two-particle-hole subspace. In three-dimensional Fermi-polaron systems with mass imbalance of impurity and bath atoms, polaron energy and quasiparticle residue can be accurately determined over a broad range of impurity masses. Furthermore, the spectral function of an imbalanced polaron demonstrates the stability of the quasiparticle and also allows us to locate the repulsive polaron as an excited state. The quantitative exactness of two-particle-hole wave functions is investigated, resulting in a relative lowering of polaronic energies in the mass-imbalance phase diagram. Tan's contact coefficient for the mass-balanced polaron system is found to be in good agreement with variational methods. Mass-imbalanced systems can be studied experimentally by ultracold atom mixtures such as {sup 6}Li-{sup 40}K. In the second part of the thesis, the ground state of a two-dimensional system of Bose particles of spin zero, interacting via a repulsive Gaussian-Core potential, is investigated by means of path integral Monte Carlo simulations. The quantum phase diagram is qualitatively identical to that of two-dimensional Yukawa

  4. Inapplicability of small-polaron model for the explanation of infrared absorption spectrum in acetanilide.

    Science.gov (United States)

    Zeković, Slobodan; Ivić, Zoran

    2009-01-01

    The applicability of small-polaron model for the interpretation of infrared absorption spectrum in acetanilide has been critically reexamined. It is shown that the energy difference between the normal and anomalous peak, calculated by means of small-polaron theory, displays pronounced temperature dependence which is in drastic contradiction with experiment. It is demonstrated that self-trapped states, which are recently suggested to explain theoretically the experimental absorption spectrum in protein, cannot cause the appearance of the peaks in absorption spectrum for acetanilide.

  5. The Orosirian-Statherian banded iron formation-bearing sequences of the southern border of the Espinhaço Range, Southeast Brazil

    Science.gov (United States)

    Rolim, Vassily Khoury; Rosière, Carlos A.; Santos, João Orestes Schneider; McNaughton, Neal J.

    2016-01-01

    The Serra da Serpentina and the Serra de São José groups are two distinct banded iron formation-bearing metasedimentary sequences along the eastern border of the southern Espinhaço Range that were deposited on the boundary between the Orosirian and Statherian periods. The Serra da Serpentina Group (SSG) has an Orosirian maximum depositional age (youngest detrital zircon grain age = 1990 ± 16 Ma) and consists of fine clastic metasediments at the base and chemical sediments, including banded iron formations (BIFs), on the top, corresponding to the Meloso and Serra do Sapo formations, respectively, and correlating with the pre-Espinhaço Costa Sena Group. The SSG represents sedimentary deposition on an epicontinental-epeiric, slow downwarping sag basin with little tectonic activity. The younger Serra de São José Group (SJG) is separated from the older SSG by an erosional unconformity and was deposited in a tectonically active continental rift-basin in the early stages of the opening of the Espinhaço Trough. The Serra do São José sediments stretch along the north-south axis of the rift and comprise a complete cycle of transgressive sedimentary deposits, which were subdivided, from base to top, into the Lapão, Itapanhoacanga, Jacém and Canjica formations. The Itapanhoacanga Formation has a maximum depositional age of 1666 ± 32 Ma (Statherian), which coincides with the maximum depositional age (i.e., 1683 ± 11 Ma) of the São João da Chapada Formation, one of the Espinhaço Supergroup's basal units. The Serra de São José Rift and the Espinhaço Rift likely represent the same system, with basal units that are facies variations of the same sequence. The supracrustal rocks have undergone two stages of deformation during the west-verging Brasiliano orogeny that affected the eastern margin of the São Francisco Craton and generated a regional-scale, foreland N-S trending fold-thrust belt, which partially involved the crystalline basement. Thrust faults have

  6. Quantitative measurements of magnetic polaron binding on acceptors in CdMnTe alloys

    Science.gov (United States)

    Nhung, Tran Hong; Planel, R.

    1983-03-01

    The acceptor binding energy is measured as a function of Temperature and composition in Cd1-x Mnx Te alloys, by time resolved spectroscopy. The Bound magnetic polaron effect is measured and compared with a theory accouting for magnetic saturation and fluctuations.

  7. Diagrammatic Monte Carlo study of Fröhlich polaron dispersion in two and three dimensions

    Science.gov (United States)

    Hahn, Thomas; Klimin, Sergei; Tempere, Jacques; Devreese, Jozef T.; Franchini, Cesare

    2018-04-01

    We present results for the solution of the large polaron Fröhlich Hamiltonian in 3 dimensions (3D) and 2 dimensions (2D) obtained via the diagrammatic Monte Carlo (DMC) method. Our implementation is based on the approach by Mishchenko [A. S. Mishchenko et al., Phys. Rev. B 62, 6317 (2000), 10.1103/PhysRevB.62.6317]. Polaron ground state energies and effective polaron masses are successfully benchmarked with data obtained using Feynman's path integral formalism. By comparing 3D and 2D data, we verify the analytically exact scaling relations for energies and effective masses from 3 D →2 D , which provides a stringent test for the quality of DMC predictions. The accuracy of our results is further proven by providing values for the exactly known coefficients in weak- and strong-coupling expansions. Moreover, we compute polaron dispersion curves which are validated with analytically known lower and upper limits in the small-coupling regime and verify the first-order expansion results for larger couplings, thus disproving previous critiques on the apparent incompatibility of DMC with analytical results and furnishing useful reference for a wide range of coupling strengths.

  8. Impact of morphology on polaron delocalization in a semicrystalline conjugated polymer

    KAUST Repository

    Steyrleuthner, Robert; Zhang, Yuexing; Zhang, Lei; Kraffert, Felix; Cherniawski, Benjamin P.; Bittl, Robert; Briseno, Alejandro L.; Bredas, Jean-Luc; Behrends, Jan

    2016-01-01

    We investigate the delocalization of holes in the semicrystalline conjugated polymer poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) (PBTTT) by directly measuring the hyperfine coupling between photogenerated polarons and bound nuclear

  9. Decay of Polarons and Molecules in a Strongly Polarized Fermi Gas

    DEFF Research Database (Denmark)

    Bruun, Georg; Massignan, P.

    2010-01-01

    , and that it vanishes much faster than the energy difference between the two states, thereby confirming the first order nature of the polaron-molecule transition. In the regime where each state is metastable, we find quasiparticle lifetimes which are much longer than what is expected for a usual Fermi liquid. Our...

  10. Effect of doping Ca on polaron hopping in LaSr 2 Mn 2 O 7

    Indian Academy of Sciences (India)

    ... Lecture Workshops · Refresher Courses · Symposia · Live Streaming. Home; Journals; Pramana – Journal of Physics; Volume 58; Issue 5-6. Effect of doping Ca on polaron hopping in LaSr2Mn2O7. S N Bhatia Osama A Yassin. Colossal Magnetoresistance & Other Materials Volume 58 Issue 5-6 May-June 2002 pp 1061- ...

  11. A new polaronic order-disorder phase transition in magnetite as observed through μSR

    International Nuclear Information System (INIS)

    Boekema, C.; Lichti, R.L.; Denison, A.B.; Brabers, V.A.M.; Cooke, D.W.; Heffner, R.H.; Hutson, R.L.; Schillaci, M.E.

    1986-01-01

    Recent μSr measurements on the Mott-Wigner glass magnetite, as a function of temperature and external magnetic field have shown the existence of two inequivalent magnetic sites below T A = 247 K. These data are being interpreted in terms of the onset or destruction of local order manifested as local atomic correlations (molecular polarons). (orig.)

  12. Optical transition energy of magneto-polaron in a GaAs{sub 0.9}P{sub 0.1}/GaAs{sub 0.6}P{sub 0.4} quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Vinolin, Ada [Dept. of Physics, Madurai Kamaraj University College, Alagarkoil Road, Madurai-625002. India (India); Peter, A. John, E-mail: a.john.peter@gmail.com [Dept. of Physics, Govt. Arts College, Melur-625106. Madurai. India (India)

    2015-06-24

    Magneto-LO-polaron in a cylindrical GaAs{sub 0.9} P{sub 0.1} / GaAs{sub 0.6} P{sub 0.4} quantum dot is investigated taking into consideration of geometrical confinement effect. The effects of phonon on the exciton binding energy and the interband emission energy as a function of dot radius are found. The calculations are performed within the single band effective mass approximation using the variational method based on the Lee-Low-Pine LLP transformation.

  13. Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach

    Science.gov (United States)

    Xu, Dazhi; Cao, Jianshu

    2016-08-01

    The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic modes. This concept has been developed into a useful method to treat open quantum systems with a complete range of system-bath coupling strength. Especially, the polaron transformation approach shows its validity in the intermediate coupling regime, in which the Redfield equation or Fermi's golden rule will fail. In the polaron frame, the equilibrium distribution carried out by perturbative expansion presents a deviation from the canonical distribution, which is beyond the usual weak coupling assumption in thermodynamics. A polaron transformed Redfield equation (PTRE) not only reproduces the dissipative quantum dynamics but also provides an accurate and efficient way to calculate the non-equilibrium steady states. Applications of the PTRE approach to problems such as exciton diffusion, heat transport and light-harvesting energy transfer are presented.

  14. Effect of base-pair inhomogeneities on charge transport along the DNA molecule, mediated by twist and radial polarons

    International Nuclear Information System (INIS)

    Palmero, F; Archilla, J F R; Hennig, D; Romero, F R

    2004-01-01

    Some recent results for a three-dimensional, semi-classical, tight-binding model for DNA show that there are two types of polarons, namely radial and twist polarons, which can transport charge along the DNA molecule. However, the existence of two types of base pairs in real DNA makes it crucial to find out if charge transport also exists in DNA chains with different base pairs. In this paper, we address this problem in its simple case, a homogeneous chain except for a single different base pair, which we call a base-pair inhomogeneity, and its effect on charge transport. Radial polarons experience either reflection or trapping. However, twist polarons are good candidates for charge transport along real DNA. This transport is also very robust with respect to weak parametric and diagonal disorder

  15. Zero-Magnetic-Field Spin Splitting of Polaron's Ground State Energy Induced by Rashba Spin-Orbit Interaction

    International Nuclear Information System (INIS)

    Liu Jia; Xiao Jingling

    2006-01-01

    We study theoretically the ground state energy of a polaron near the interface of a polar-polar semiconductor by considering the Rashba spin-orbit (SO) coupling with the Lee-Low-Pines intermediate coupling method. Our numerical results show that the Rashba SO interaction originating from the inversion asymmetry in the heterostructure splits the ground state energy of the polaron. The electron areal density and vector dependence of the ratio of the SO interaction to the total ground state energy or other energy composition are obvious. One can see that even without any external magnetic field, the ground state energy can be split by the Rashba SO interaction, and this split is not a single but a complex one. Since the presents of the phonons, whose energy gives negative contribution to the polaron's, the spin-splitting states of the polaron are more stable than electron's.

  16. A new DFT approach to model small polarons in oxides with proper account for long-range polarization

    Science.gov (United States)

    Kokott, Sebastian; Levchenko, Sergey V.; Scheffler, Matthias; Theory Department Team

    In this work, we address two important challenges in the DFT description of small polarons (excess charges localized within one unit cell): sensitivity to the errors in exchange-correlation (XC) treatment and finite-size effects in supercell calculations. The polaron properties are obtained using a modified neutral potential-energy surface (PES). Using the hybrid HSE functional and considering the whole range 0 Deutsche Forschungsgemeinschaft).

  17. Hall effect driven by non-collinear magnetic polarons in diluted magnetic semiconductors

    Science.gov (United States)

    Denisov, K. S.; Averkiev, N. S.

    2018-04-01

    In this letter, we develop the theory of Hall effect driven by non-collinear magnetic textures (topological Hall effect—THE) in diluted magnetic semiconductors (DMSs). We show that a carrier spin-orbit interaction induces a chiral magnetic ordering inside a bound magnetic polaron (BMP). The inner structure of non-collinear BMP is controlled by the type of spin-orbit coupling, allowing us to create skyrmion- (Rashba) or antiskyrmion-like (Dresselhaus) configurations. The asymmetric scattering of itinerant carriers on polarons leads to the Hall response which exists in weak external magnetic fields and at low temperatures. We point out that DMS-based systems allow one to investigate experimentally the dependence of THE both on a carrier spin polarization and on a non-collinear magnetic texture shape.

  18. Effect of thermodynamic fluctuations of magnetization on the bound magnetic polaron state in ferromagnetic semiconductors

    International Nuclear Information System (INIS)

    Bednarski, Henryk; Spałek, Józef

    2014-01-01

    We extend the theory of the bound magnetic polaron (BMP) in diluted paramagnetic semiconductors to the situation with a ferromagnetic phase transition. This is achieved by including the classical Gaussian fluctuations of magnetization from the quartic (non-Gaussian) term in the effective Ginzburg–Landau Hamiltonian for the spins. Within this approach, we find a ferromagnetically ordered state within the BMP in the temperature range well above the Curie temperature for the host magnetic semiconductor. Numerical results are compared directly with the recently available experimental data for the ferromagnetic semiconductor GdN. The agreement is excellent, given the simplicity of our model, and is because the polaron size (≃1.4 nm) encompasses a relatively large but finite number (N≈400) of quasiclassical spins S=7/2 coming from Gd 3+ ions. The presence of BMP invalidates the notion of critical temperature and thus makes the incorporation of classical Gaussian fluctuations sufficient to realistically describe the situation. (paper)

  19. One dimensional polaron effects and current inhomogeneities in sequential phonon emission

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, E.S.; Harris, J.S.; Hanna, C.; Laughlin, R.B.

    1985-07-01

    We have constructed a physical model to explain the tunneling current oscillations reported by Hickmott et al., for GaAs/AlGaAs heterostructures in high magnetic fields. We propose that the periodic structure observed is due to space charge which builds up in the undepleted layer when electrons enter it with energy just below the phonon emission threshold. Such electrons interact with the lattice to form polarons whose energy is pinned to the phonon energy, and thus has a very small group velocity. The polaron effect is strongly enhanced by the confinement of the electrons by the strong magnetic field. We infer from the current-voltage data that most of the tunneling current flows through a small area of the sample. The combined model gives reasonable quantitative agreement with experiment. 6 refs., 6 figs.

  20. Impact of morphology on polaron delocalization in a semicrystalline conjugated polymer

    KAUST Repository

    Steyrleuthner, Robert

    2016-12-20

    We investigate the delocalization of holes in the semicrystalline conjugated polymer poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) (PBTTT) by directly measuring the hyperfine coupling between photogenerated polarons and bound nuclear spins using electron nuclear double resonance spectroscopy. An extrapolation of the corresponding oligomer spectra reveals that charges tend to delocalize over 4.0-4.8 nm with delocalization strongly dependent on molecular order and crystallinity of the PBTTT polymer thin films. Density functional theory calculations of hyperfine couplings confirm that long-range corrected functionals appropriately describe the change in coupling strength with increasing oligomer size and agree well with the experimentally measured polymer limit. Our discussion presents general guidelines illustrating the various pitfalls and opportunities when deducing polaron localization lengths from hyperfine coupling spectra of conjugated polymers.

  1. Two Impurities in a Bose-Einstein Condensate: From Yukawa to Efimov Attracted Polarons

    Science.gov (United States)

    Naidon, Pascal

    2018-04-01

    The well-known Yukawa and Efimov potentials are two different mediated interaction potentials. The first one arises in quantum field theory from the exchange of virtual particles. The second one is mediated by a real particle resonantly interacting with two other particles. This Letter shows how two impurities immersed in a Bose-Einstein condensate can exhibit both phenomena. For a weak attraction with the condensate, the two impurities form two polarons that interact through a weak Yukawa attraction mediated by virtual excitations. For a resonant attraction with the condensate, the exchanged excitation becomes a real boson and the mediated interaction changes to a strong Efimov attraction that can bind the two polarons. The resulting bipolarons turn into in-medium Efimov trimers made of the two impurities and one boson. Evidence of this physics could be seen in ultracold mixtures of atoms.

  2. One dimensional polaron effects and current inhomogeneities in sequential phonon emission

    International Nuclear Information System (INIS)

    Hellman, E.S.; Harris, J.S.; Hanna, C.; Laughlin, R.B.

    1985-07-01

    We have constructed a physical model to explain the tunneling current oscillations reported by Hickmott et al., for GaAs/AlGaAs heterostructures in high magnetic fields. We propose that the periodic structure observed is due to space charge which builds up in the undepleted layer when electrons enter it with energy just below the phonon emission threshold. Such electrons interact with the lattice to form polarons whose energy is pinned to the phonon energy, and thus has a very small group velocity. The polaron effect is strongly enhanced by the confinement of the electrons by the strong magnetic field. We infer from the current-voltage data that most of the tunneling current flows through a small area of the sample. The combined model gives reasonable quantitative agreement with experiment. 6 refs., 6 figs

  3. Effects of system-bath coupling on a photosynthetic heat engine: A polaron master-equation approach

    Science.gov (United States)

    Qin, M.; Shen, H. Z.; Zhao, X. L.; Yi, X. X.

    2017-07-01

    Stimulated by suggestions of quantum effects in energy transport in photosynthesis, the fundamental principles responsible for the near-unit efficiency of the conversion of solar to chemical energy became active again in recent years. Under natural conditions, the formation of stable charge-separation states in bacteria and plant reaction centers is strongly affected by the coupling of electronic degrees of freedom to a wide range of vibrational motions. These inspire and motivate us to explore the effects of the environment on the operation of such complexes. In this paper, we apply the polaron master equation, which offers the possibilities to interpolate between weak and strong system-bath coupling, to study how system-bath couplings affect the exciton-transfer processes in the Photosystem II reaction center described by a quantum heat engine (QHE) model over a wide parameter range. The effects of bath correlation and temperature, together with the combined effects of these factors are also discussed in detail. We interpret these results in terms of noise-assisted transport effect and dynamical localization, which correspond to two mechanisms underpinning the transfer process in photosynthetic complexes: One is resonance energy transfer and the other is the dynamical localization effect captured by the polaron master equation. The effects of system-bath coupling and bath correlation are incorporated in the effective system-bath coupling strength determining whether noise-assisted transport effect or dynamical localization dominates the dynamics and temperature modulates the balance of the two mechanisms. Furthermore, these two mechanisms can be attributed to one physical origin: bath-induced fluctuations. The two mechanisms are manifestations of the dual role played by bath-induced fluctuations depending on the range of parameters. The origin and role of coherence are also discussed. It is the constructive interplay between noise and coherent dynamics, rather

  4. GROUND-BASED Paα NARROW-BAND IMAGING OF LOCAL LUMINOUS INFRARED GALAXIES. I. STAR FORMATION RATES AND SURFACE DENSITIES

    Energy Technology Data Exchange (ETDEWEB)

    Tateuchi, Ken; Konishi, Masahiro; Motohara, Kentaro; Takahashi, Hidenori; Kato, Natsuko Mitani; Kitagawa, Yutaro; Todo, Soya; Toshikawa, Koji; Sako, Shigeyuki; Uchimoto, Yuka K.; Ohsawa, Ryou; Asano, Kentaro; Kamizuka, Takafumi; Nakamura, Tomohiko; Okada, Kazushi [Institute of Astronomy, Graduate School of Science, The University of Tokyo, 2-21-1 Osawa, Mitaka, Tokyo 181-0015 (Japan); Ita, Yoshifusa [Astronomical Institute, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8578 (Japan); Komugi, Shinya [Division of Liberal Arts, Kogakuin University, 2665-1, Hachioji, Tokyo 192-0015 (Japan); Koshida, Shintaro [Subaru Telescope, National Astronomical Observatory of Japan, Hilo, HI 96720 (United States); Manabe, Sho [Department of Earth and Planetary Sciences, Kobe University, Kobe 657-8501 (Japan); Nakashima, Asami, E-mail: tateuchi@ioa.s.u-tokyo.ac.jp [Department of Astronomy, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); and others

    2015-03-15

    Luminous infrared galaxies (LIRGs) are enshrouded by a large amount of dust produced by their active star formation, and it is difficult to measure their activity in optical wavelengths. We have carried out Paα narrow-band imaging observations of 38 nearby star forming galaxies including 33 LIRGs listed in the IRAS Revised Bright Galaxy Sample catalog with the Atacama Near InfraRed camera on the University of Tokyo Atacama Observatory (TAO) 1.0 m telescope (miniTAO). Star formation rates (SFRs) estimated from the Paα fluxes, corrected for dust extinction using the Balmer decrement method (typically A{sub V} ∼ 4.3 mag), show a good correlation with those from the bolometric infrared luminosity of the IRAS data within a scatter of 0.27 dex. This suggests that the correction of dust extinction for the Paα flux is sufficient in our sample. We measure the physical sizes and surface densities of infrared luminosities (Σ{sub L(IR)}) and the SFR (Σ{sub SFR}) of star forming regions for individual galaxies, and we find that most of the galaxies follow a sequence of local ultra-luminous or luminous infrared galaxies (U/LIRGs) on the L(IR)-Σ{sub L(IR)} and SFR-Σ{sub SFR} plane. We confirm that a transition of the sequence from normal galaxies to U/LIRGs is seen at L(IR) = 8 × 10{sup 10} L {sub ☉}. Also, we find that there is a large scatter in physical size, different from normal galaxies or ULIRGs. Considering the fact that most U/LIRGs are merging or interacting galaxies, this scatter may be caused by strong external factors or differences in their merging stages.

  5. Second order approximation for optical polaron in the strong coupling case

    International Nuclear Information System (INIS)

    Bogolubov, N.N. Jr.

    1993-11-01

    Here we propose a method of construction second order approximation for ground state energy for class of model Hamiltonian with linear type interaction on Bose operators in strong coupling case. For the application of the above method we have considered polaron model and propose construction set of nonlinear differential equations for definition ground state energy in strong coupling case. We have considered also radial symmetry case. (author). 10 refs

  6. Generalized formula for electron emission taking account of the polaron effect

    Science.gov (United States)

    Barengolts, Yu A.; Beril, S. I.; Barengolts, S. A.

    2018-01-01

    A generalized formula is derived for the electron emission current as a function of temperature, field, and electron work function in a metal-dielectric system that takes account of the quantum nature of the image forces. In deriving the formula, the Fermi-Dirac distribution for electrons in a metal and the quantum potential of the image obtained in the context of electron polaron theory are used.

  7. Quantum fluctuations of D5d polarons on C60 molecules

    International Nuclear Information System (INIS)

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

    1994-06-01

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

  8. Large shift and small broadening of Br2 valence band upon dimer formation with H2O: an ab initio study.

    Science.gov (United States)

    Franklin-Mergarejo, Ricardo; Rubayo-Soneira, Jesus; Halberstadt, Nadine; Ayed, Tahra; Bernal-Uruchurtu, Margarita I; Hernández-Lamoneda, Ramón; Janda, Kenneth C

    2011-06-16

    Valence electronic excitation spectra are calculated for the H(2)O···Br(2) complex using highly correlated ab initio potentials for both the ground and the valence electronic excited states and a 2-D approximation for vibrational motion. Due to the strong interaction between the O-Br and the Br-Br stretching motions, inclusion of these vibrations is the minimum necessary for the spectrum calculation. A basis set calculation is performed to determine the vibrational wave functions for the ground electronic state and a wave packet simulation is conducted for the nuclear dynamics on the excited state surfaces. The effects of both the spin-orbit interaction and temperature on the spectra are explored. The interaction of Br(2) with a single water molecule induces nearly as large a shift in the spectrum as is observed for an aqueous solution. In contrast, complex formation has a remarkably small effect on the T = 0 K width of the valence bands due to the fast dissociation of the dihalogen bond upon excitation. We therefore conclude that the widths of the spectra in aqueous solution are mostly due to inhomogeneous broadening. © 2011 American Chemical Society

  9. The role of hydrostatic pressure and temperature on bound polaron in semiconductor quantum dot

    International Nuclear Information System (INIS)

    El Moussaouy, A.; Ouchani, N.

    2014-01-01

    We studied theoretically the effects of hydrostatic pressure and temperature on the binding energy of shallow hydrogenic impurity in a cylindrical quantum dot (QD) using a variational approach within the effective mass approximation. The hydrostatic stress was applied along the QD growth axis. The interactions between the charge carriers and confined longitudinal optical (LO) phonon modes are taken into account. The numerical computation for GaAs/Ga 1−x Al x As QD has shown that the binding energy with and without the polaronic correction depends on the location of the impurity and the pressure effect and it is more pronounced for impurities in the QD center. Both the binding energy and the polaronic contribution increase linearly with increasing stress. For each pressure value, these energies are also found to decrease as the temperature increases. The results obtained show that in experimental studies of optical and electronic properties of QDs, the effects of pressure, temperature and polaronic correction on donor impurity binding energy should be taken into consideration

  10. Influence of quasi-particle density over polaron mobility in armchair graphene nanoribbons.

    Science.gov (United States)

    Silva, Gesiel Gomes; da Cunha, Wiliam Ferreira; de Sousa Junior, Rafael Timóteo; Almeida Fonseca, Antonio Luciano; Ribeiro Júnior, Luiz Antônio; E Silva, Geraldo Magela

    2018-06-20

    An important aspect concerning the performance of armchair graphene nanoribbons (AGNRs) as materials for conceiving electronic devices is related to the mobility of charge carriers in these systems. When several polarons are considered in the system, a quasi-particle wave function can be affected by that of its neighbor provided the two are close enough. As the overlap may affect the transport of the carrier, the question concerning how the density of polarons affect its mobility arises. In this work, we investigate such dependence for semiconducting AGNRs in the scope of nonadiabatic molecular dynamics. Our results unambiguously show an impact of the density on both the stability and average velocity of the quasi-particles. We have found a phase transition between regimes where increasing density stops inhibiting and starts promoting mobility; densities higher than 7 polarons per 45 Å present increasing mean velocity with increasing density. We have also established three different regions relating electric field and average velocity. For the lowest electric field regime, surpassing the aforementioned threshold results in overcoming the 0.3 Å fs-1 limit, thus representing a transition between subsonic and supersonic regimes. For the highest of the electric fields, density effects alone are responsible for a stunning difference of 1.5 Å fs-1 in the mean carrier velocity.

  11. Energy Migration in Organic Thin Films--From Excitons to Polarons

    Science.gov (United States)

    Mullenbach, Tyler K.

    The rise of organic photovoltaic devices (OPVs) and organic light-emitting devices has generated interest in the physics governing exciton and polaron dynamics in thin films. Energy transfer has been well studied in dilute solutions, but there are emergent properties in thin films and greater complications due to complex morphologies which must be better understood. Despite the intense interest in energy transport in thin films, experimental limitations have slowed discoveries. Here, a new perspective of OPV operation is presented where photovoltage, instead of photocurrent, plays the fundamental role. By exploiting this new vantage point the first method of measuring the diffusion length (LD) of dark (non-luminescent) excitons is developed, a novel photodetector is invented, and the ability to watch exciton arrival, in real-time, at the donor-acceptor heterojunction is presented. Using an enhanced understanding of exciton migration in thin films, paradigms for enhancing LD by molecular modifications are discovered, and the first exciton gate is experimentally and theoretically demonstrated. Generation of polarons from exciton dissociation represents a second phase of energy migration in OPVs that remains understudied. Current approaches are capable of measuring the rate of charge carrier recombination only at open-circuit. To enable a better understanding of polaron dynamics in thin films, two new approaches are presented which are capable of measuring both the charge carrier recombination and transit rates at any OPV operating voltage. These techniques pave the way for a more complete understanding of charge carrier kinetics in molecular thin films.

  12. Photoelectron spectroscopy on the charge reorganization energy and small polaron binding energy of molecular film

    Energy Technology Data Exchange (ETDEWEB)

    Kera, Satoshi, E-mail: kera@ims.ac.jp [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan); Ueno, Nobuo [Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan)

    2015-10-01

    Understanding of electron-phonon coupling as well as intermolecular interaction is required to discuss the mobility of charge carrier in functional molecular solids. This article summarizes recent progress in direct measurements of valence hole-vibration coupling in ultrathin films of organic semiconductors by using ultraviolet photoelectron spectroscopy (UPS). The experimental study of hole-vibration coupling of the highest occupied molecular orbital (HOMO) state in ordered monolayer film by UPS is essential to comprehend hole-hopping transport and small-polaron related transport in organic semiconductors. Only careful measurements can attain the high-resolution spectra and provide key parameters in hole-transport dynamics, namely the charge reorganization energy and small polaron binding energy. Analyses methods of the UPS HOMO fine feature and resulting charge reorganization energy and small polaron binding energy are described for pentacene and perfluoropentacene films. Difference between thin-film and gas-phase results is discussed by using newly measured high-quality gas-phase spectra of pentacene. Methodology for achieving high-resolution UPS measurements for molecular films is also described.

  13. Density functional theory calculations for the band gap and formation energy of Pr4-xCaxSi12O3+xN18-x; a highly disordered compound with low symmetry and a large cell size.

    Science.gov (United States)

    Hong, Sung Un; Singh, Satendra Pal; Pyo, Myoungho; Park, Woon Bae; Sohn, Kee-Sun

    2017-06-28

    A novel oxynitride compound, Pr 4-x Ca x Si 12 O 3+x N 18-x , synthesized using a solid-state route has been characterized as a monoclinic structure in the C2 space group using Rietveld refinement on synchrotron powder X-ray diffraction data. The crystal structure of this compound was disordered due to the random distribution of Ca/Pr and N/O ions at various Wyckoff sites. A pragmatic approach for an ab initio calculation based on density function theory (DFT) for this disordered compound has been implemented to calculate an acceptable value of the band gap and formation energy. In general, for the DFT calculation of a disordered compound, a sufficiently large super cell and infinite variety of ensemble configurations is adopted to simulate the random distribution of ions; however, such an approach is time consuming and cost ineffective. Even a single unit cell model gave rise to 43 008 independent configurations as an input model for the DFT calculations. Since it was nearly impossible to calculate the formation energy and the band gap energy for all 43 008 configurations, an elitist non-dominated sorting genetic algorithm (NSGA-II) was employed to find the plausible configurations. In the NSGA-II, all 43 008 configurations were mathematically treated as genomes and the calculated band gap and the formation energy as the objective (fitness) function. Generalized gradient approximation (GGA) was first employed in the preliminary screening using NSGA-II, and thereafter a hybrid functional calculation (HSE06) was executed only for the most plausible GGA-relaxed configurations with lower formation and higher band gap energies. The final band gap energy (3.62 eV) obtained after averaging over the selected configurations, resembles closely the experimental band gap value (4.11 eV).

  14. Simbol-X: a formation flight mission with an unprecedented imaging capability in the 0.5-80 keV energy band

    Science.gov (United States)

    Tagliaferri, Gianpiero; Ferrando, Philippe; Le Duigou, Jean-Michel; Pareschi, Giovanni; Laurent, Philippe; Malaguti, Giuseppe; Clédassou, Rodolphe; Piermaria, Mauro; La Marle, Olivier; Fiore, Fabrizio; Giommi, Paolo

    2017-11-01

    The discovery of X-ray emission from cosmic sources in the 1960s has opened a new powerful observing window on the Universe. In fact, the exploration of the X-ray sky during the 70s-90s has established X-ray astronomy as a fundamental field of astrophysics. Today, the emission from astrophysical sources is by large best known at energies below 10 keV. The main reason for this situation is purely technical since grazing incidence reflection has so far been limited to the soft X-ray band. Above 10 keV all the observations have been obtained with collimated detectors or coded mask instruments. To make a leap step forward in Xray astronomy above 10 keV it is necessary to extend the principle of focusing X ray optics to higher energies, up to 80 keV and beyond. To this end, ASI and CNES are presently studying the implementation of a X-ray mission called Simbol-X. Taking advantage of emerging technology in mirror manufacturing and spacecraft formation flying, Simbol-X will push grazing incidence imaging up to 80 keV and beyond, providing a strong improvement both in sensitivity and angular resolution compared to all instruments that have operated so far above 10 keV. This technological breakthrough will open a new highenergy window in astrophysics and cosmology. Here we will address the problematic of the development for such a distributed and deformable instrument. We will focus on the main performances of the telescope, like angular resolution, sensitivity and source localization. We will also describe the specificity of the calibration aspects of the payload distributed over two satellites and therefore in a not "frozen" configuration.

  15. Ultrafast Charge and Triplet State Formation in Diketopyrrolopyrrole Low Band Gap Polymer/Fullerene Blends: Influence of Nanoscale Morphology of Organic Photovoltaic Materials on Charge Recombination to the Triplet State

    Directory of Open Access Journals (Sweden)

    René M. Williams

    2017-01-01

    Full Text Available Femtosecond transient absorption spectroscopy of thin films of two types of morphologies of diketopyrrolopyrrole low band gap polymer/fullerene-adduct blends is presented and indicates triplet state formation by charge recombination, an important loss channel in organic photovoltaic materials. At low laser fluence (approaching solar intensity charge formation characterized by a 1350 nm band (in ~250 fs dominates in the two PDPP-PCBM blends with different nanoscale morphologies and these charges recombine to form a local polymer-based triplet state on the sub-ns timescale (in ~300 and ~900 ps indicated by an 1100 nm absorption band. The rate of triplet state formation is influenced by the morphology. The slower rate of charge recombination to the triplet state (in ~900 ps belongs to a morphology that results in a higher power conversion efficiency in the corresponding device. Nanoscale morphology not only influences interfacial area and conduction of holes and electrons but also influences the mechanism of intersystem crossing (ISC. We present a model that correlates morphology to the exchange integral and fast and slow mechanisms for ISC (SOCT-ISC and H-HFI-ISC. For the pristine polymer, a flat and unstructured singlet-singlet absorption spectrum (between 900 and 1400 nm and a very minor triplet state formation (5% are observed at low laser fluence.

  16. Vibronic effects and destruction of exciton coherence in optical spectra of J-aggregates: A variational polaron transformation approach

    Energy Technology Data Exchange (ETDEWEB)

    Bloemsma, E.A.; Silvis, M.H.; Stradomska, A.; Knoester, J., E-mail: j.knoester@rug.nl

    2016-12-20

    Using a symmetry adapted polaron transformation of the Holstein Hamiltonian, we study the interplay of electronic excitation-vibration couplings, resonance excitation transfer interactions, and temperature in the linear absorption spectra of molecular J-aggregates. Semi-analytical expressions for the spectra are derived and compared with results obtained from direct numerical diagonalization of the Hamiltonian in the two-particle basis set representation. At zero temperature, we show that our polaron transformation reproduces both the collective (exciton) and single-molecule (vibrational) optical response associated with the appropriate standard perturbation limits. Specifically, for the molecular dimer excellent agreement with the spectra from the two-particle approach for the entire range of model parameters is obtained. This is in marked contrast to commonly used polaron transformations. Upon increasing the temperature, the spectra show a transition from the collective to the individual molecular features, which results from the thermal destruction of the exciton coherence.

  17. Spectrally resolved hyperfine interactions between polaron and nuclear spins in organic light emitting diodes: Magneto-electroluminescence studies

    Energy Technology Data Exchange (ETDEWEB)

    Crooker, S. A.; Kelley, M. R.; Martinez, N. J. D.; Nie, W.; Mohite, A.; Nayyar, I. H.; Tretiak, S.; Smith, D. L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Liu, F.; Ruden, P. P. [University of Minnesota, Minneapolis, Minnesota 55455 (United States)

    2014-10-13

    We use spectrally resolved magneto-electroluminescence (EL) measurements to study the energy dependence of hyperfine interactions between polaron and nuclear spins in organic light-emitting diodes. Using layered devices that generate bright exciplex emission, we show that the increase in EL emission intensity I due to small applied magnetic fields of order 100 mT is markedly larger at the high-energy blue end of the EL spectrum (ΔI/I ∼ 11%) than at the low-energy red end (∼4%). Concurrently, the widths of the magneto-EL curves increase monotonically from blue to red, revealing an increasing hyperfine coupling between polarons and nuclei and directly providing insight into the energy-dependent spatial extent and localization of polarons.

  18. Polaron Hopping in Nano-scale Poly(dA–Poly(dT DNA

    Directory of Open Access Journals (Sweden)

    Singh Mahi

    2010-01-01

    Full Text Available Abstract We investigate the current–voltage relationship and the temperature-dependent conductance of nano-scale samples of poly(dA–poly(dT DNA molecules. A polaron hopping model has been used to calculate the I–V characteristic of nano-scale samples of DNA. This model agrees with the data for current versus voltage at temperatures greater than 100 K. The quantities G 0 , i 0 , and T 1d are determined empirically, and the conductivity is estimated for samples of poly(dA–poly(dT.

  19. The ground state energy of a bound polaron in the presence of a magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Zorkani, I [International Centre for Theoretical Physics, Trieste (Italy); Belhissi, R [Faculte des Sciences Dhar Mahraz, Fes (Morocco). Dept. de Physique

    1995-09-01

    A theoretical calculation for the ground state energy of a bound polaron as a function of the magnetic field is presented. The theory is based on a variational approach using a trial wave function proposed by Devreese et al. in the absence of the magnetic field. It was shown that his function is adequate for all electron - phonon coupling {alpha} and all parameter {gamma}{sub 0} which is the ratio between the L.O. phonon energy and the Colombian one. Analytical results are obtained in the weak coupling limit. (author). 27 refs, 4 figs, 1 tab.

  20. Polaron pair mediated triplet generation in polymer/fullerene blends

    KAUST Repository

    Dimitrov, Stoichko D.; Wheeler, Scot; Niedzialek, Dorota; Schroeder, Bob C.; Utzat, Hendrik; Frost, Jarvist M.; Yao, Jizhong; Gillett, Alexander; Tuladhar, Pabitra S.; McCulloch, Iain; Nelson, Jenny; Durrant, James R.

    2015-01-01

    Electron spin is a key consideration for the function of organic semiconductors in light-emitting diodes and solar cells, as well as spintronic applications relying on organic magnetoresistance. A mechanism for triplet excited state generation in such systems is by recombination of electron-hole pairs. However, the exact charge recombination mechanism, whether geminate or nongeminate and whether it involves spin-state mixing is not well understood. In this work, the dynamics of free charge separation competing with recombination to polymer triplet states is studied in two closely related polymer-fullerene blends with differing polymer fluorination and photovoltaic performance. Using time-resolved laser spectroscopic techniques and quantum chemical calculations, we show that lower charge separation in the fluorinated system is associated with the formation of bound electron-hole pairs, which undergo spin-state mixing on the nanosecond timescale and subsequent geminate recombination to triplet excitons. We find that these bound electron-hole pairs can be dissociated by electric fields.

  1. Polaron pair mediated triplet generation in polymer/fullerene blends

    KAUST Repository

    Dimitrov, Stoichko D.

    2015-03-04

    Electron spin is a key consideration for the function of organic semiconductors in light-emitting diodes and solar cells, as well as spintronic applications relying on organic magnetoresistance. A mechanism for triplet excited state generation in such systems is by recombination of electron-hole pairs. However, the exact charge recombination mechanism, whether geminate or nongeminate and whether it involves spin-state mixing is not well understood. In this work, the dynamics of free charge separation competing with recombination to polymer triplet states is studied in two closely related polymer-fullerene blends with differing polymer fluorination and photovoltaic performance. Using time-resolved laser spectroscopic techniques and quantum chemical calculations, we show that lower charge separation in the fluorinated system is associated with the formation of bound electron-hole pairs, which undergo spin-state mixing on the nanosecond timescale and subsequent geminate recombination to triplet excitons. We find that these bound electron-hole pairs can be dissociated by electric fields.

  2. Anisotropic small-polaron hopping in W:BiVO4 single crystals

    International Nuclear Information System (INIS)

    Rettie, Alexander J. E.; Chemelewski, William D.; Zhou, Jianshi; Lindemuth, Jeffrey; McCloy, John S.; Marshall, Luke G.; Emin, David; Mullins, C. Buddie

    2015-01-01

    DC electrical conductivity, Seebeck and Hall coefficients are measured between 300 and 450 K on single crystals of monoclinic bismuth vanadate that are doped n-type with 0.3% tungsten donors (W:BiVO 4 ). Strongly activated small-polaron hopping is implied by the activation energies of the Arrhenius conductivities (about 300 meV) greatly exceeding the energies characterizing the falls of the Seebeck coefficients' magnitudes with increasing temperature (about 50 meV). Small-polaron hopping is further evidenced by the measured Hall mobility in the ab-plane (10 −1  cm 2  V −1  s −1 at 300 K) being larger and much less strongly activated than the deduced drift mobility (about 5 × 10 −5  cm 2  V −1  s −1 at 300 K). The conductivity and n-type Seebeck coefficient is found to be anisotropic with the conductivity larger and the Seebeck coefficient's magnitude smaller and less temperature dependent for motion within the ab-plane than that in the c-direction. These anisotropies are addressed by considering highly anisotropic next-nearest-neighbor (≈5 Å) transfers in addition to the somewhat shorter (≈4 Å), nearly isotropic nearest-neighbor transfers

  3. Appearance of small polaron hopping conduction in iron modified cobalt lithium bismuth borate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Dahiya, M. S.; Khasa, S., E-mail: skhasa@yahoo.com; Yadav, Arti [Physics Department, Deenbandhu Chhotu Ram University of Science and Technology, Murthal, India-131039 (India); Agarwal, A. [Applied Physics Department, Guru Jambheshwara University of Science and Technology, Hisar, India-125001 (India)

    2016-05-23

    Lithium bismuth borate glasses containing different amounts of cobalt and iron oxides having chemical composition xFe{sub 2}O{sub 3}•(20-x)CoO•30Li{sub 2}O•10Bi{sub 2}O{sub 3}•40B{sub 2}O{sub 3} (x = 0, 5, 10, 15 and 20 mol% abbreviated as CFLBB1-5 respectively) prepared via melt quench technique have been investigated for their dc electrical conductivity. The amorphous nature of prepared glasses has been confirmed through X-ray diffraction measurements. The dc electrical conductivity has been analyzed by applying Mott’s small polaron hopping model. Activation energies corresponding to lower and higher temperature region have been evaluated. The iron ion concentration (N), mean spacing between iron ions (R) and polaron radius (R{sub p}) has been evaluated using the values of phonon radius (R{sub ph}) and Debye temperature (θ{sub D}). The glass sample without iron (CFLBB1) shows ionic conductivity but the incorporation of iron in the glass matrix results in the appearance of electronic conductivity.

  4. Non-relativistic Limit of a Dirac Polaron in Relativistic Quantum Electrodynamics

    CERN Document Server

    Arai, A

    2006-01-01

    A quantum system of a Dirac particle interacting with the quantum radiation field is considered in the case where no external potentials exist. Then the total momentum of the system is conserved and the total Hamiltonian is unitarily equivalent to the direct integral $\\int_{{\\bf R}^3}^\\oplus\\overline{H({\\bf p})}d{\\bf p}$ of a family of self-adjoint operators $\\overline{H({\\bf p})}$ acting in the Hilbert space $\\oplus^4{\\cal F}_{\\rm rad}$, where ${\\cal F}_{\\rm rad}$ is the Hilbert space of the quantum radiation field. The fibre operator $\\overline{H({\\bf p})}$ is called the Hamiltonian of the Dirac polaron with total momentum ${\\bf p} \\in {\\bf R}^3$. The main result of this paper is concerned with the non-relativistic (scaling) limit of $\\overline{H({\\bf p})}$. It is proven that the non-relativistic limit of $\\overline{H({\\bf p})}$ yields a self-adjoint extension of a Hamiltonian of a polaron with spin $1/2$ in non-relativistic quantum electrodynamics.

  5. Polaron effects on the dc- and ac-tunneling characteristics of molecular Josephson junctions

    Science.gov (United States)

    Wu, B. H.; Cao, J. C.; Timm, C.

    2012-07-01

    We study the interplay of polaronic effect and superconductivity in transport through molecular Josephson junctions. The tunneling rates of electrons are dominated by vibronic replicas of the superconducting gap, which show up as prominent features in the differential conductance for the dc and ac current. For relatively large molecule-lead coupling, a features that appears when the Josephson frequency matches the vibron frequency can be identified with an over-the-gap structure observed by Marchenkov [Nat. Nanotech. 1748-338710.1038/nnano.2007.2182, 481 (2007)]. However, we are more concerned with the weak-coupling limit, where resonant tunneling through the molecular level dominates. We find that certain features involving both Andreev reflection and vibron emission show an unusual shift of the bias voltage V at their maximum with the gate voltage Vg as V˜(2/3)Vg. Moreover, due to the polaronic effect, the ac Josephson current shows a phase shift of π when the bias eV is increased by one vibronic energy quantum ℏωv. This distinctive even-odd effect is explained in terms of the different sign of the coupling to vibrons of electrons and of Andreev-reflected holes.

  6. Multi-impurity polarons in a dilute Bose-Einstein condensate

    International Nuclear Information System (INIS)

    Santamore, D H; Timmermans, Eddy

    2011-01-01

    We describe the ground state of a large, dilute, neutral atom Bose-Einstein condensate (BEC) doped with N strongly coupled mutually indistinguishable, bosonic neutral atoms (referred to as ‘impurity’) in the polaron regime where the BEC density response to the impurity atoms remains significantly smaller than the average density of the surrounding BEC. We find that N impurity atoms with N ≠ 1 can self-localize at a lower value of the impurity-boson interaction strength than a single impurity atom. When the ‘bare’ short-range impurity-impurity repulsion does not play a significant role, the self-localization of multiple bosonic impurity atoms into the same single particle orbital (which we call co-self-localization) is the nucleation process of the phase separation transition. When the short-range impurity-impurity repulsion successfully competes with co-self-localization, the system may form a stable liquid of self-localized single impurity polarons. (paper)

  7. Observation of magnetic polarons in the magnetoresistive pyrochlore Lu2V2O7

    International Nuclear Information System (INIS)

    Storchak, Vyacheslav G; Brewer, Jess H; Eshchenko, Dmitry G; Mengyan, Patrick W; Zhou Haidong; Wiebe, Christopher R

    2013-01-01

    Materials that exhibit colossal magnetoresistance (CMR) have attracted much attention due to their potential technological applications. One particularly interesting model for the magnetoresistance of low-carrier-density ferromagnets involves mediation by magnetic polarons (MP)—electrons localized in nanoscale ferromagnetic ‘droplets’ by their exchange interaction. However, MP have not previously been directly detected and their size has been difficult to determine from macroscopic measurements. In order to provide this crucial information, we have carried out muon spin rotation measurements on the magnetoresistive semiconductor Lu 2 V 2 O 7 in the temperature range from 2 to 300 K and in magnetic fields up to 7 T. Magnetic polarons with characteristic radius R ≈ 0.4 nm are detected below about 100 K, where Lu 2 V 2 O 7 exhibits CMR; at higher temperature, where the magnetoresistance vanishes, these MP also disappear. This observation confirms the MP-mediated model of CMR and reveals the microscopic size of the MP in magnetoresistive pyrochlores. (paper)

  8. Full-counting statistics of energy transport of molecular junctions in the polaronic regime

    International Nuclear Information System (INIS)

    Tang, Gaomin; Yu, Zhizhou; Wang, Jian

    2017-01-01

    We investigate the full-counting statistics (FCS) of energy transport carried by electrons in molecular junctions for the Anderson–Holstein model in the polaronic regime. Using the two-time quantum measurement scheme, the generating function (GF) for the energy transport is derived and expressed as a Fredholm determinant in terms of Keldysh nonequilibrium Green’s function in the time domain. Dressed tunneling approximation is used in decoupling the phonon cloud operator in the polaronic regime. This formalism enables us to analyze the time evolution of energy transport dynamics after a sudden switch-on of the coupling between the dot and the leads towards the stationary state. The steady state energy current cumulant GF in the long time limit is obtained in the energy domain as well. Universal relations for steady state energy current FCS are derived under a finite temperature gradient with zero bias and this enabled us to express the equilibrium energy current cumulant by a linear combination of lower order cumulants. The behaviors of energy current cumulants in steady state under temperature gradient and external bias are numerically studied and explained. The transient dynamics of energy current cumulants is numerically calculated and analyzed. Universal scaling of normalized transient energy cumulants is found under both temperature gradient and external bias. (paper)

  9. Raman and optical spectroscopic studies of small-to-large polaron crossover in the perovskite manganese oxides

    International Nuclear Information System (INIS)

    Yoon, S.; Liu, H.L.; Schollerer, G.; Cooper, S.L.; Han, P.D.; Payne, D.A.; Cheong, S.; Fisk, Z.

    1998-01-01

    We present an optical reflectance and Raman-scattering study of the A 1-x A ' x MnO 3 system as a function of temperature and doping (0.2≤x≤0.5). The metal-semiconductor transition in the A 1-x A ' x MnO 3 system is characterized by a change from a diffusive electronic Raman-scattering response in the high-temperature paramagnetic phase, to a flat continuum scattering response in the low-temperature ferromagnetic phase. We interpret this change in the scattering response as a crossover from a small-polaron-dominated regime at high temperatures to a large-polaron-dominated low-temperature regime. Interestingly, we observe evidence for the coexistence of large and small polarons in the low-temperature ferromagnetic phase. We contrast these results with those obtained for EuB 6 , which is a low-T c magnetic semiconductor with similar properties to the manganites, but with a substantially reduced carrier density and polaron energy. copyright 1998 The American Physical Society

  10. L’impossible seconde vie ? Le poids des standards éditoriaux et la résistance de la bande dessinée franco-belge au format de poche

    Directory of Open Access Journals (Sweden)

    Sylvain Lesage

    2011-07-01

    Full Text Available Si le livre de poche a joué un rôle central dans la diffusion du patrimoine littéraire, la bande dessinée ne dispose pas de cet outil permettant la constitution d’un corpus de classiques aisément accessibles au plus grand nombre. En ceci, la bande dessinée constitue bien une véritable exception dans le champ éditorial français, par la quasi-absence de collections permettant de republier des classiques en format de poche. L’importance de l’image et l’impératif de lisibilité compliquent en effet le problème de l’adaptation du « grand format » vers le poche, mais demeurent insuffisants pour comprendre la réticence de la bande dessinée au poche. Le présent article propose un retour en arrière sur les expériences des années 1980-1990, afin de mieux cerner cette singularité éditoriale.

  11. Parton Theory of Magnetic Polarons: Mesonic Resonances and Signatures in Dynamics

    Science.gov (United States)

    Grusdt, F.; Kánasz-Nagy, M.; Bohrdt, A.; Chiu, C. S.; Ji, G.; Greiner, M.; Greif, D.; Demler, E.

    2018-01-01

    When a mobile hole is moving in an antiferromagnet it distorts the surrounding Néel order and forms a magnetic polaron. Such interplay between hole motion and antiferromagnetism is believed to be at the heart of high-temperature superconductivity in cuprates. In this article, we study a single hole described by the t -Jz model with Ising interactions between the spins in two dimensions. This situation can be experimentally realized in quantum gas microscopes with Mott insulators of Rydberg-dressed bosons or fermions, or using polar molecules. We work at strong couplings, where hole hopping is much larger than couplings between the spins. In this regime we find strong theoretical evidence that magnetic polarons can be understood as bound states of two partons, a spinon and a holon carrying spin and charge quantum numbers, respectively. Starting from first principles, we introduce a microscopic parton description which is benchmarked by comparison with results from advanced numerical simulations. Using this parton theory, we predict a series of excited states that are invisible in the spectral function and correspond to rotational excitations of the spinon-holon pair. This is reminiscent of mesonic resonances observed in high-energy physics, which can be understood as rotating quark-antiquark pairs carrying orbital angular momentum. Moreover, we apply the strong-coupling parton theory to study far-from-equilibrium dynamics of magnetic polarons observable in current experiments with ultracold atoms. Our work supports earlier ideas that partons in a confining phase of matter represent a useful paradigm in condensed-matter physics and in the context of high-temperature superconductivity in particular. While direct observations of spinons and holons in real space are impossible in traditional solid-state experiments, quantum gas microscopes provide a new experimental toolbox. We show that, using this platform, direct observations of partons in and out of equilibrium are

  12. Effects of Polaron and Quantum Confinement on the Nonlinear Optical Properties in a GaAs/Ga1-xAlxAs Quantum Well Wire

    Directory of Open Access Journals (Sweden)

    L. Caroline Sugirtham

    2014-01-01

    Full Text Available The binding energy of a polaron confined in a GaAs/Ga1-xAlxAs quantum well wire is calculated within the framework of the variational technique and Lee-Low Pines approach. The polaron-induced photoionization cross section as a function of normalized photon energy for a on-centre donor impurity in the quantum wire is investigated. The oscillator strength with the geometrical effect is studied taking into account the polaron effects in a GaAs/Ga0.8Al0.2As quantum well wire. The effect of polaron on the third-order susceptibility of third harmonic generation is studied. Our theoretical results are shown to be in good agreement with previous investigations.

  13. Covalent bonding and band-gap formation in ternary transition-metal di-aluminides: Al4MnCo and related compounds

    International Nuclear Information System (INIS)

    Krajci, M.; Hafner, J.

    2002-01-01

    In this paper we extend our previous study of the electronic structure of and bonding mechanism in transition-metal (TM) di-aluminides to ternary systems. We have studied the character of the bonding in Al 4 MnCo and related TM di-aluminides in the C11 b (MoSi 2 ) and C54 (TiSi 2 ) crystal structures. A peculiar feature of the electronic structure of these TM di-aluminides is the existence of a semiconducting gap at the Fermi level. In our previous work we predicted a gap in Al 2 TM compounds where the TM atoms have eight valence electrons. Here we demonstrate that the semiconducting gap does not disappear if the TM sites are occupied by two different TMs, provided that the electron-per-atom ratio is conserved. Such a replacement substantially increases the class of possibly semiconducting TM di-aluminides. Substitution for 3d TMs of 4d or 5d TMs enhances the width of the gap. From the analysis of the charge density distribution and the crystal orbital overlap population, we conclude that the bonding between atoms has dominantly covalent character. This is confirmed not only by the enhanced charge density halfway between atoms, but also by the clear bonding-antibonding splitting of the electronic states. If the gaps between split states that correspond to all bonding configurations in the crystal have a common overlap at the Fermi level, the intermetallic compound becomes a semiconductor. However, the results of the total-energy calculations suggest that the existence of a band gap does not necessarily imply a stable structure. Strong covalent bonds can exist also in Al-TM structures where no band gap is observed. (author)

  14. Polaronic and bipolaronic structures in the adiabatic Hubbard-Holstein model involving 2 electrons and its extensions

    International Nuclear Information System (INIS)

    Proville, L.

    1998-01-01

    This thesis brings its contribution to the bipolaronic theory which might explain the origin of superconductivity at high temperature. A polaron is a quasiparticle made up of a localized electron and a deformation in the crystal structure. 2 electrons in singlet states localized on the same site form a bipolaron. Whenever the Coulomb repulsion between the 2 electrons is too strong bipolaron turns into 2 no bound polarons. We study the existence and the mobility of bipolarons. We describe the electron-phonon interaction by the Holstein term and the Coulomb repulsion by the Hubbard term. 2 assumptions are made: - the local electron-phonon interaction is strong and opposes the Coulomb repulsion between Hubbard type electrons - the system is close to the adiabatic limit. The system is reduced to 2 electrons in order to allow an exact treatment and the investigation of some bipolaronic bound states. At 2-dimensions the existence of bipolarons requires a very strong coupling which forbids any classical mobility. In some cases an important tunneling effect appears and we show that mobile bipolarons exist in a particular parameter range. Near the adiabatic limit we prove that polaronic and bipolaronic structures exist for a great number of electrons. (A.C.)

  15. Long-range ferromagnetic order induced by a donor impurity band exchange in SnO{sub 2}:Er{sup 3+} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Aragón, F. H.; Coaquira, J. A. H. [Núcleo de Física Aplicada, Institute of Physics, University of Brasília, Brasília DF 70910-900 (Brazil); Chitta, V. A. [Instituto de Física, Universidade de São Paulo, São Paulo, SP 05508-000 (Brazil); Hidalgo, P. [Faculdade Gama-FGA, Sector Central Gama, Universidade de Brasília, Brasília, DF72405-610 (Brazil); Brito, H. F. [Instituto de Química, Universidade de São Paulo, São Paulo, SP 05508-000 (Brazil)

    2013-11-28

    In this work, the structural and magnetic properties of Er-doped SnO{sub 2} (SnO{sub 2}:Er) nanoparticles are reported. The SnO{sub 2}:Er nanoparticles have been synthesized by a polymer precursor method with Er content from 1.0% to 10.0%. X-ray diffraction results indicate the formation of only the rutile-type structure in all samples. The estimated mean crystallite size shows a decrease from ∼10 to ∼4 nm when the Er content is increased from 1.0% to 10.0%. The particle size values have been corroborated by transmission electron microscopy technique. The thermal dependence of the magnetization is consistent with the 3+ oxidation state of erbium ions for all samples. A strong paramagnetic-like behavior coexisting with a ferromagnetic phase has been determined for samples with Er content below 5.0%. Above this concentration, only a paramagnetic behavior has been determined. Isothermal magnetization curves are consistent with the occurrence of long-range ferromagnetic order mediated by donor electrons forming bound magnetic polarons which overlap to produce a spin-split impurity band.

  16. Bound magnetic polaron in Zn-rich cobalt-doped ZnSe nanowires

    Science.gov (United States)

    Hou, Lipeng; Pan, Longfei; Liang, Bianbian; Liu, Yuting; Zhang, Li; Bukhtiar, Arfan; Shi, Lijie; Liu, Ruibin; Zou, Bingsuo

    2018-02-01

    The micro-luminescence spectra of the diluted magnetic semiconductor (DMS) can reflect the spin-exciton interaction and related relaxation process. Here the micro-photoluminescence (micro-PL) spectra and PL lifetime measurements have been done on an individual ferromagnetic (FM)-coupled cobalt (Co) doped zinc selenide (ZnSe) nanowire. There occurs a double-peak profile in its near bandedge emission spectrum: the first peak is from free exciton (FX) and the second comes from magnetic polaron (MP). In their temperature dependent PL spectra, the MP emission peak demonstrates obviously temperature-independent behavior, in contrast to the behaviors of FX and reported exciton MP in nanobelt. It is found that in this Co(II) doped ZnSe nanowires, this MP’s temperature-independent emission is related to the coupling between exciton and a FM nanocluster (↑↑↓). The nanocluster is likely due to the interaction of Se vacancies of the wide bandgap semiconductors with the antiferromagnetic (AFM) arrangement transition metal (TM) ions in these Se-deficient Co doped ZnSe nanowires. These results reflect that the AFM coupling TM ions pair can give rise to FM behavior with the involvement of positive charge defect, also indicating that the micro-luminescence detection can be used to study the magnetic coupling in DMS.

  17. Effects of polarons on static polarizabilities and second order hyperpolarizabilities of conjugated polymers

    International Nuclear Information System (INIS)

    Wang Ya-Dong; Meng Yan; Di Bing; Wang Shu-Ling; An Zhong

    2010-01-01

    According to the one-dimensional tight-binding Su—Schrieffer—Heeger model, we have investigated the effects of charged polarons on the static polarizability, α xx , and the second order hyperpolarizabilities, γ xxxx , of conjugated polymers. Our results are consistent qualitatively with previous ab initio and semi-empirical calculations. The origin of the universal growth is discussed using a local-view formalism that is based on the local atomic charge derivatives. Furthermore, combining the Su-Schrieffer-Heeger model and the extended Hubbard model, we have investigated systematically the effects of electron-electron interactions on α xx and γ xxxx of charged polymer chains. For a fixed value of the nearest-neighbour interaction V, the values of α xx and γ xxxx increase as the on-site Coulomb interaction U increases for U c and decrease with U for U > U c , where U c is a critical value of U at which the static polarizability or the second order hyperpolarizability reaches a maximal value of α max or γ max . It is found that the effect of the e-e interaction on the value of α xx is dependent on the ratio between U and V for either a short or a long charged polymer. Whereas, that effect on the value of γ xxxx is sensitive both to the ratio of U to V and to the size of the molecule. (rapid communication)

  18. Nanophase Iron Oxides as an Ultraviolet Sunscreen for Ancient Photosynthetic Microbes: A Possible Link Between Early Organisms, Banded-Iron Formations, and the Oxygenation of the Atmosphere

    Science.gov (United States)

    Bishop, Janice L.; Rothschild, Lynn J.; Rothschild, Lynn J.; Rogoff, Dana A.

    2006-01-01

    We propose that nanophase iron oxide-bearing materials provided important niches for ancient photosynthetic microbes on the early Earth that ultimately led to the oxygenation of the Earth s atmosphere and the formation of iron oxide deposits. Atmospheric oxygen and ozone attenuate UV radiation on the Earth today providing substantial protection for photosynthetic organisms. With ultraviolet radiation fluxes likely to have been even higher on the early Earth than today, accessing solar radiation was particularly risky for early organisms. Yet, we know that photosynthesis arose then and played a critical role in subsequent evolution. Of primary importance was protection at approx.250-290 nm, where peak nucleic acid (approx.260 nm) and protein (approx.280 nm) absorptions occur. Nanophase ferric oxide/oxyhydroxide minerals absorb, and thus block, the lethal UV radiation, while transmitting light through much of the visible and near-infrared regions of interest to photosynthesis (400 to 1100 nm). Further, they were available in early environments, and are synthesized by many organisms. Based on ferric oxide/oxyhydroxide spectral properties, likely geologic processes, and the results of experiments with the photosynthetic organisms, Euglena sp. and Chlumydomonus reinhardtii, we propose a scenario where photosynthesis, and ultimately the oxygenation of the atmosphere, depended on the protection of early microbes by nanophase ferric oxides/oxyhydroxides. The results of this study are also applicable to other potentially habitable iron-bearing planetary bodies because of the evolutionary pressure to utilize solar radiation when available as an energy source.

  19. New Kronig-Penney Equation Emphasizing the Band Edge Conditions

    Science.gov (United States)

    Szmulowicz, Frank

    2008-01-01

    The Kronig-Penney problem is a textbook example for discussing band dispersions and band gap formation in periodic layered media. For example, in photonic crystals, the behaviour of bands next to the band edges is important for further discussions of such effects as inhibited light emission, slow light and negative index of refraction. However,…

  20. Methodology for determination of trace elements in mineral phases of iron banded formation by LA-ICP-MS; Metodologia de determinacao de elementos-traco em fases minerais de formacoes ferriferas bandadas por LA-ICP-MS

    Energy Technology Data Exchange (ETDEWEB)

    Sousa, Denise V.M. de; Nalini Junior, Herminio A.; Sampaio, Geraldo M.S.; Abreu, Adriana T. de; Lana, Cristiano de C., E-mail: deniseversiane2@yahoo.com.br, E-mail: nalini@degeo.ufop.br, E-mail: geraldomssampaio@gmail.com, E-mail: adrianatropia@gmail.com, E-mail: cristianodeclana@gmail.com [Universidade Federal de Ouro Preto (DEGEO/UFOP), Ouro Preto, MG (Brazil). Departamento de Geologia

    2015-07-01

    The study of the chemical composition of mineral phases of iron formation (FF), especially of trace elements, is an important tool in the understanding of the genesis of these rocks and the contribution of the phases in the composition of whole rock. Low mass fraction of such elements in the mineral phases present in this rock type requires a suitable analytical procedure. The laser ablation technique coupled with ICP-MS (LA-ICP-MS) has been widely used for determination of trace elements in geological samples. Thus, the aim of this study is to develop calibration curves for determination of trace elements (Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb and Lu) in mineral phases of banded iron formations by LA-ICP-MS. Several certified reference materials (CRM) were used for calibrate the equipment. The analytical conditions were checked by CRM NIST SRM 614. The results were satisfactory, since the curves showed good linearity coefficients, good accuracy and precision of results. (author)

  1. Chemical fingerprint of iron oxides related to iron enrichment of banded iron formation from the Cauê Formation - Esperança Deposit, Quadrilátero Ferrífero, Brazil: a laser ablation ICP-MS study

    Directory of Open Access Journals (Sweden)

    Lucilia Aparecida Ramos de Oliveira

    Full Text Available Chemical signatures of iron oxides from dolomitic itabirite and high-grade iron ore from the Esperança deposit, located in the Quadrilátero Ferrífero, indicate that polycyclic processes involving changing of chemical and redox conditions are responsible for the iron enrichment on Cauê Formation from Minas Supergroup. Variations of Mn, Mg and Sr content in different generations of iron oxides from dolomitic itabirite, high-grade iron ore and syn-mineralization quartz-carbonate-hematite veins denote the close relationship between high-grade iron ore formation and carbonate alteration. This indicates that dolomitic itabirite is the main precursor of the iron ore in that deposit. Long-lasting percolation of hydrothermal fluids and shifts in the redox conditions have contributed to changes in the Y/Ho ratio, light/heavy rare earth elements ratio and Ce anomaly with successive iron oxide generations (martite-granular hematite, as well as lower abundance of trace elements including rare earth elements in the younger specularite generations.

  2. Effect of different conductivity between the spin polarons on spin injection in a ferromagnet/organic semiconductor system

    International Nuclear Information System (INIS)

    Mi Yilin; Zhang Ming; Yan Hui

    2008-01-01

    Spin injection across ferromagnet/organic semiconductor system with finite width of the layers was studied theoretically considering spin-dependent conductivity in the organic-semiconductor. It was found that the spin injection efficiency is directly dependent on the difference between the conductivity of the up-spin and down-spin polarons in the spin-injected organic system. Furthermore, the finite width of the structure, interfacial electrochemical-potential and conductivity mismatch have great influence on the spin injection process across ferromagnet/organic semiconductor interface

  3. Congenital Constriction Band Syndrome

    OpenAIRE

    Rajesh Gupta, Fareed Malik, Rishabh Gupta, M.A.Basit, Dara Singh

    2008-01-01

    Congenital constriction bands are anomalous bands that encircle a digit or an extremity. Congenitalconstriction band syndrome is rare condition and is mostly associated with other musculoskeletaldisorders.We report such a rare experience.

  4. Polaron-electron assisted giant dielectric dispersion in SrZrO{sub 3} high-k dielectric

    Energy Technology Data Exchange (ETDEWEB)

    Borkar, Hitesh; Barvat, Arun; Pal, Prabir; Kumar, Ashok, E-mail: ashok553@nplindia.org [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-National Physical Laboratory (CSIR-NPL) Campus, Dr. K S Krishnan Marg, New Delhi 110012 (India); Shukla, A. K. [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Pulikkotil, J. J. [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-National Physical Laboratory (CSIR-NPL) Campus, Dr. K S Krishnan Marg, New Delhi 110012 (India); Computation and Networking Facility, CSIR-National Physical Laboratory, New Delhi 110012 (India)

    2016-06-07

    The SrZrO{sub 3} is a well known high-k dielectric constant (∼22) and high optical bandgap (∼5.8 eV) material and one of the potential candidates for future generation nanoelectronic logic elements (8 nm node technology) beyond silicon. Its dielectric behavior is fairly robust and frequency independent till 470 K; however, it suffers a strong small-polaron based electronic phase transition (T{sub e}) linking 650 to 750 K. The impedance spectroscopy measurements revealed the presence of conducting grains and grain boundaries at elevated temperature which provide energetic mobile charge carriers with activation energy in the range of 0.7 to 1.2 eV supporting the oxygen ions and proton conduction. X-ray photoemission spectroscopy measurements suggest the presence of weak non-stoichiometric O{sup 2−} anions and hydroxyl species bound to different sites at the surface and bulk. These thermally activated charge carriers at elevated temperature significantly contribute to the polaronic based dielectric anomaly and conductivity. Our dielectric anomaly supports pseudo phase transition due to high degree of change in ZrO{sub 6} octahedral angle in the temperature range of 650–750 K, where electron density and phonon vibration affect the dielectric and conductivity properties.

  5. Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally Assisted Polaron Tunneling.

    Science.gov (United States)

    Taherinia, Davood; Smith, Christopher E; Ghosh, Soumen; Odoh, Samuel O; Balhorn, Luke; Gagliardi, Laura; Cramer, Christopher J; Frisbie, C Daniel

    2016-04-26

    We report the synthesis, transport measurements, and electronic structure of conjugation-broken oligophenyleneimine (CB-OPI 6) molecular wires with lengths of ∼4 nm. The wires were grown from Au surfaces using stepwise aryl imine condensation reactions between 1,4-diaminobenzene and terephthalaldehyde (1,4-benzenedicarbaldehyde). Saturated spacers (conjugation breakers) were introduced into the molecular backbone by replacing the aromatic diamine with trans-1,4-diaminocyclohexane at specific steps during the growth processes. FT-IR and ellipsometry were used to follow the imination reactions on Au surfaces. Surface coverages (∼4 molecules/nm(2)) and electronic structures of the wires were determined by cyclic voltammetry and UV-vis spectroscopy, respectively. The current-voltage (I-V) characteristics of the wires were acquired using conducting probe atomic force microscopy (CP-AFM) in which an Au-coated AFM probe was brought into contact with the wires to form metal-molecule-metal junctions with contact areas of ∼50 nm(2). The low bias resistance increased with the number of saturated spacers, but was not sensitive to the position of the spacer within the wire. Temperature dependent measurements of resistance were consistent with a localized charge (polaron) hopping mechanism in all of the wires. Activation energies were in the range of 0.18-0.26 eV (4.2-6.0 kcal/mol) with the highest belonging to the fully conjugated OPI 6 wire and the lowest to the CB3,5-OPI 6 wire (the wire with two saturated spacers). For the two other wires with a single conjugation breaker, CB3-OPI 6 and CB5-OPI 6, activation energies of 0.20 eV (4.6 kcal/mol) and 0.21 eV (4.8 kcal/mol) were found, respectively. Computational studies using density functional theory confirmed the polaronic nature of charge carriers but predicted that the semiclassical activation energy of hopping should be higher for CB-OPI molecular wires than for the OPI 6 wire. To reconcile the experimental and

  6. Band structure of semiconductors

    CERN Document Server

    Tsidilkovski, I M

    2013-01-01

    Band Structure of Semiconductors provides a review of the theoretical and experimental methods of investigating band structure and an analysis of the results of the developments in this field. The book presents the problems, methods, and applications in the study of band structure. Topics on the computational methods of band structure; band structures of important semiconducting materials; behavior of an electron in a perturbed periodic field; effective masses and g-factors for the most commonly encountered band structures; and the treatment of cyclotron resonance, Shubnikov-de Haas oscillatio

  7. A disordered polaron model for polarized fluorescence excitation spectra of LH1 and LH2 bacteriochlorophyll antenna aggregates

    International Nuclear Information System (INIS)

    Trinkunas, Gediminas; Freiberg, Arvi

    2006-01-01

    Excitonic polarons in antenna complexes are subject to static lattice disorder. A model has been developed to analyze polarized fluorescence excitation spectra of circular light-harvesting complexes from purple photosynthetic bacteria containing bacteriochlorophyll as the main photoactive pigment that includes both diagonal (energetic) and off-diagonal (structural) disorders. Essential differences of disorder realizations seem to exist between the core LH1 and peripheral LH2 complexes from the bacterium Rhodobacter sphaeroides. The disorder in LH1 appears to be dominated by the structural disorder, while that in LH2, by energetic one. These differences may be due to relatively bigger size of the LH1 complex and, consequently, with its enhanced structural flexibility

  8. Influence of Mg doping on the behaviour of polaronic light-induced absorption in LiNbO3

    International Nuclear Information System (INIS)

    Conradi, D.; Merschjann, C.; Schoke, B.; Imlau, M.; Corradi, G.; Polgar, K.

    2008-01-01

    Transient light-induced absorption changes α li (t), caused by optically generated small polarons, are investigated in LiNbO 3 :Mg below and above the optical-damage-resistance threshold (ODRT). The lifetime of α li (t) is reduced by three orders of magnitude above the ODRT while a significantly enhanced amplitude α max li is observed in the infrared. Our observations are in full accordance with the predictions of microscopic models for the ODRT, namely the removal of Nb Li antisite defects upon incorporation of Mg ions, and an enhanced dark conductivity. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2008], Wiley Periodicals, Inc.)

  9. Electromagnetic-field dependence of the internal excited state of the polaron and the qubit in quantum dot with thickness

    Science.gov (United States)

    Bai, Xu-Fang; Xin, Wei; Yin, Hong-Wu; Eerdunchaolu

    2017-06-01

    The electromagnetic-field dependence of the ground and the first excited-state (GFES) energy eigenvalues and eigenfunctions of the strong-coupling polaron in a quantum dot (QD) was studied for various QD thicknesses by using the variational method of the Pekar type (VMPT). On this basis, we construct a qubit in the quantum dot (QQD) by taking a two-level structure of the polaron as the carrier. The results of numerical calculations indicate that the oscillation period of the qubit, {itT}{in0}, increases with increasing the thickness of the quantum dot (TQD) {itL}, but decreases with increasing the cyclotron frequency of the magnetic field (CFMF) ω{in{itc}}, electric-field strength {itF}, and electron-phonon coupling strength (EPCS) α. The probability density of the qubit |Ψ({itρ}, {itz}, {itt})|{su2} presents a normal distribution of the electronic transverse coordinate ρ, significantly influenced by the TQD and effective radius of the quantum dot (ERQD) {itR}{in0}, and shows a periodic oscillation with variations in the electronic longitudinal coordinate {itz}, polar angle φ and time {itt}. The decoherence time τ and the quality factor {itQ} of the free rotation increase with increasing the CFMF ω{in{itc}}, dispersion coefficient η, and EPCS α, but decrease with increasing the electric-field strength {itF}, TQD {itL}, and ERQD {itR}{in0}. The TQD is an important parameter of the qubit. Theoretically, the target, which is to regulate the oscillation period, decoherence time and quality factor of the free rotation of the qubit, can be achieved by designing different TQDs and regulating the strength of the electromagnetic field.

  10. DFT+U study of self-trapping, trapping, and mobility of oxygen-type hole polarons in barium stannate

    Science.gov (United States)

    Geneste, Grégory; Amadon, Bernard; Torrent, Marc; Dezanneau, Guilhem

    2017-10-01

    The charge-transfer insulating perovskite oxides currently used as fuel cell electrolytes undergo, at high temperature, an oxidation reaction 1/2 O2(g ) +VO••→OOX+2 h• , that produces oxygen-type holes. Understanding the nature and mobility of these oxygen-type holes is an important step to improve the performance of devices, but presents a theoretical challenge since, in their localized form, they cannot be captured by standard density functional theory. Here, we employ the DFT+U formalism with a Hubbard correction on the p orbitals of oxygen to investigate several properties of these holes, in the particular case of BaSnO3. We describe the small oxygen-type hole polarons, the self-trapping at their origin, and their trapping by trivalent dopants (Ga, Sc, In, Lu, Y, Gd, La). Strong similarities with protonic defects are observed concerning the evolution of the trapping energy with ionic radius of the dopant. Moreover, we show that long-range diffusion of holes is a complex phenomenon, that proceeds by a succession of several mechanisms. However, the standard implementation of DFT+U within the projector augmented-wave (PAW) formalism leads to use very large, unphysical values of U for the O-p orbital. We propose here a slightly modified DFT+U scheme, that takes into account the fact that the O-p is truncated in usual DFT+U implementation in PAW. This scheme yields more physical values of U than the ones traditionally used in the literature, and describes well the properties of the hole polaron.

  11. Experimental study on the adiabatic shear bands

    International Nuclear Information System (INIS)

    Affouard, J.

    1984-07-01

    Four martensitic steels (Z50CDV5 steel, 28CND8 steel, 35NCDV16 steel and 4340 steel) with different hardness between 190 and 600 Hsub(B) (Brinell hardness), have been studied by means of dynamic compressive tests on split Hopkinson pressure bar. Microscopic observations show that the fracture are associated to the development of adiabatic shear bands (except 4340 steel with 190 Hsub(B) hardness). By means of tests for which the deformation is stopped at predetermined levels, the measurement of shear and hardness inside the band and the matrix indicates the chronology of this phenomenon: first the localization of shear, followed by the formation of adiabatic shear band and ultimatly crack initiation and propagation. These results correlated with few simulations by finite elements have permitted to suggest two mecanisms of deformation leading to the formation of adiabatic shear bands in this specific test [fr

  12. La fracturation et les bandes de déformation dans la région d’El Kohol (Atlas saharien central, Algérie: analyse fractale, lois d’échelles et modèle de réseaux de fractures discrètes

    Directory of Open Access Journals (Sweden)

    Zazoun, R. S.

    2015-12-01

    Full Text Available The aim of this paper is focused on the study of natural fractures and deformation bands in El Kohol structure, located in the Djebel Amour in the Central Saharan Atlas, Algeria. The field observations and measurements were performed through two localities on the forelimb and two others on the backlimb of the structure. The outcrop study has shown the existence of five fracture sets and three deformation bands sets. The spacing and length distribution models of the different fractures sets obey to a power law. The mechanical layer thickness analysis for the whole formations shows the existence of twelve mechanical units with a stratabound control. The deformation bands show an increasing in their numbers, and a decreasing in their spacing when they approach the major faults. The fractal analysis of faults and fractures, as well as the deformation bands show a fractal character of 2D dimension. A good correlation coefficients is obtained from the comparison between the density and the intensity parameters (Pxy calculated from the discrete fracture network (DFN modelling, and those from the outcrops. The model developed is discussed related to deformation events recognized in the area.[fr] Ce travail porte sur l’étude de la fracturation naturelle et les bandes de déformation dans la structure plicative d’El Kohol, du le Djebel Amour, dans l’Atlas saharien central. Les observations et les mesures ont été effectuées à travers deux stations sur le flanc court ou avant de la structure, et deux stations sur le flanc long ou arrière. L’étude a montré l’existence de cinq familles de fractures et de trois familles de bandes de déformation. Les modèles de distribution des espacements et des longueurs des différentes familles de fractures obéit à une loi de type puissance. L’analyse mécanostratigraphique montre une subdivision des formations étudiées en douze unités mécaniques. Les bandes de déformation montrent une

  13. Observation of semiconductor to metallic transition and polaron hopping in double perovskite Pr{sub 2}CoTiO{sub 6} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Mahato, Dev K., E-mail: drdevkumar@yahoo.com [Department of Physics, National Institute of Technology Patna, Patna 800005 (India); Sinha, T.P. [Department of Physics, Bose Institute, 93/1, APC Road, Kolkata 700009 (India)

    2017-05-01

    This paper describes semiconductor to metal transition and polaron conduction in double perovskite Pr{sub 2}CoTiO{sub 6} (PCTO) ceramics. The XRD pattern recorded at room temperature confirmed the pure phase, single crystalline structure. The semicircle arc in the impedance plot at each temperature can be attributed to the grain boundary contribution, indicating one dominating response in the measurement frequency range. The semiconductor to metallic transition was also confirmed by the variation of grain boundary resistance (R{sub gb}) with temperature. The activation energy estimated from the imaginary part of electrical modulus and impedance are found to be the characteristic of polaron conduction in PCTO. Ac conductivity followed power law dependence σ{sub ac} = Bω{sup n}. The observed variation of the exponent ‘n’ with temperature suggests the typical of charge transport assisted by a hopping process. The observed minimum in the temperature dependence of frequency exponent ‘n’ strongly suggests that the large polaron tunneling is the dominant transport process.

  14. Linear and non-linear infrared response of one-dimensional vibrational Holstein polarons in the anti-adiabatic limit: Optical and acoustical phonon models

    Science.gov (United States)

    Falvo, Cyril

    2018-02-01

    The theory of linear and non-linear infrared response of vibrational Holstein polarons in one-dimensional lattices is presented in order to identify the spectral signatures of self-trapping phenomena. Using a canonical transformation, the optical response is computed from the small polaron point of view which is valid in the anti-adiabatic limit. Two types of phonon baths are considered: optical phonons and acoustical phonons, and simple expressions are derived for the infrared response. It is shown that for the case of optical phonons, the linear response can directly probe the polaron density of states. The model is used to interpret the experimental spectrum of crystalline acetanilide in the C=O range. For the case of acoustical phonons, it is shown that two bound states can be observed in the two-dimensional infrared spectrum at low temperature. At high temperature, analysis of the time-dependence of the two-dimensional infrared spectrum indicates that bath mediated correlations slow down spectral diffusion. The model is used to interpret the experimental linear-spectroscopy of model α-helix and β-sheet polypeptides. This work shows that the Davydov Hamiltonian cannot explain the observations in the NH stretching range.

  15. Mobility balance in the light-emitting layer governs the polaron accumulation and operational stability of organic light-emitting diodes

    Science.gov (United States)

    Kim, Jae-Min; Lee, Chang-Heon; Kim, Jang-Joo

    2017-11-01

    Organic light-emitting diode (OLED) displays are lighter and more flexible, have a wider color gamut, and consume less power than conventional displays. Stable materials and the structural design of the device are important for OLED longevity. Control of charge transport and accumulation in the device is particularly important because the interaction of excitons and polarons results in material degradation. This research investigated the charge dynamics of OLEDs experimentally and by drift-diffusion modeling. Parallel capacitance-voltage measurements of devices provided knowledge of charge behavior at different driving voltages. A comparison of exciplex-forming co-host and single host structures established that the mobility balance in the emitting layers determined the amount of accumulated polarons in those layers. Consequently, an exciplex-forming co-host provides a superior structure in terms of device lifetime and efficiency because of its well-balanced mobility. Minimizing polaron accumulation is key to achieving long OLED device lifetimes. This is a crucial aspect of device physics that must be considered in the device design structure.

  16. The Sternheimer-GW method and the spectral signatures of plasmonic polarons

    Science.gov (United States)

    Giustino, Feliciano

    During the past three decades the GW method has emerged among the most promising electronic structure techniques for predictive calculations of quasiparticle band structures. In order to simplify the GW work-flow while at the same time improving the calculation accuracy, we developed the Sternheimer-GW method. In Sternheimer-GW both the screened Coulomb interaction and the electron Green's function are evaluated by using exclusively occupied Kohn-Sham states, as in density-functional perturbation theory. In this talk I will review the basics of Sternheimer-GW, and I will discuss two recent applications to semiconductors and superconductors. In the case of semiconductors we calculated complete energy- and momentum-resolved spectral functions by combining Sternheimer-GW with the cumulant expansion approach. This study revealed the existence of band structure replicas which arise from electron-plasmon interactions. In the case of superconductors we calculated the Coulomb pseudo-potential from first principles, and combined this approach with the Eliashberg theory of the superconducting critical temperature. This work was supported by the Leverhulme Trust (RL-2012-001), the European Research Council (EU FP7/ERC 239578), the UK Engineering and Physical Sciences Research Council (EP/J009857/1), and the Graphene Flagship (EU FP7/604391).

  17. Wide Band to ''Double Band'' upgrade

    International Nuclear Information System (INIS)

    Kasper, P.; Currier, R.; Garbincius, P.; Butler, J.

    1988-06-01

    The Wide Band beam currently uses electrons obtained from secondary photon conversions to produce the photon beam incident on the experimental targets. By transporting the positrons produced in these conversions as well as the electrons it is possible to almost double the number of photons delivered to the experiments per primary beam proton. 11 figs

  18. Amniotic constriction bands

    Science.gov (United States)

    ... Supplements Videos & Tools Español You Are Here: Home → Medical Encyclopedia → Amniotic band sequence URL of this page: //medlineplus.gov/ency/ ... birth. The baby should be delivered in a medical center that has specialists experienced in caring for babies ... or partial loss of function of a body part. Congenital bands affecting large parts of the body cause the ...

  19. Kinetic Monte Carlo Study of Ambipolar Lithium Ion and Electron-Polaron Diffusion into Nanostructured TiO2

    International Nuclear Information System (INIS)

    Yu, Jianguo; Sushko, Maria L.; Kerisit, Sebastien N.; Rosso, Kevin M.; Liu, Jun

    2012-01-01

    Nanostructured titania (TiO2) polymorphs have proved to be promising electrode materials for next generation lithium-ion batteries. However, there is still a lack of understanding of the fundamental microscopic processes that control charge transport in these materials. Here we present microscopic simulations of the collective dynamics of lithium-ion (Li+) and charge compensating electron polarons (e-) in rutile TiO2 nanoparticles in contact with idealized conductive matrix and electrolyte. Kinetic Monte Carlo simulations are used, parameterized by molecular dynamics-based predictions of activation energy barriers for Li+ and e- diffusion. Simulations reveal the central role of electrostatic coupling between Li+ and e- on their collective drift diffusion at the nanoscale. They also demonstrate that high contact area between conductive matrix and rutile nanoparticles leads to undesirable coupling-induced surface saturation effects during Li+ insertion, which limits the overall capacity and conductivity of the material. These results help provide guidelines for design of nanostructured electrode materials with improved electrochemical performance.

  20. Band structures in fractal grading porous phononic crystals

    Science.gov (United States)

    Wang, Kai; Liu, Ying; Liang, Tianshu; Wang, Bin

    2018-05-01

    In this paper, a new grading porous structure is introduced based on a Sierpinski triangle routine, and wave propagation in this fractal grading porous phononic crystal is investigated. The influences of fractal hierarchy and porosity on the band structures in fractal graidng porous phononic crystals are clarified. Vibration modes of unit cell at absolute band gap edges are given to manifest formation mechanism of absolute band gaps. The results show that absolute band gaps are easy to form in fractal structures comparatively to the normal ones with the same porosity. Structures with higher fractal hierarchies benefit multiple wider absolute band gaps. This work provides useful guidance in design of fractal porous phononic crystals.

  1. Band parameters of phosphorene

    International Nuclear Information System (INIS)

    Lew Yan Voon, L C; Wang, J; Zhang, Y; Willatzen, M

    2015-01-01

    Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory are computed using a first-principles theory based upon the generalized-gradient approximation to the density-functional theory. These parameters and Hamiltonian will be useful for modeling physical properties of phosphorene. (paper)

  2. Infrared diffuse interstellar bands

    Science.gov (United States)

    Galazutdinov, G. A.; Lee, Jae-Joon; Han, Inwoo; Lee, Byeong-Cheol; Valyavin, G.; Krełowski, J.

    2017-05-01

    We present high-resolution (R ˜ 45 000) profiles of 14 diffuse interstellar bands in the ˜1.45 to ˜2.45 μm range based on spectra obtained with the Immersion Grating INfrared Spectrograph at the McDonald Observatory. The revised list of diffuse bands with accurately estimated rest wavelengths includes six new features. The diffuse band at 15 268.2 Å demonstrates a very symmetric profile shape and thus can serve as a reference for finding the 'interstellar correction' to the rest wavelength frame in the H range, which suffers from a lack of known atomic/molecular lines.

  3. Band parameters of phosphorene

    DEFF Research Database (Denmark)

    Lew Yan Voon, L. C.; Wang, J.; Zhang, Y.

    2015-01-01

    Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory...... are computed using a first-principles theory based upon the generalized-gradient approximation to the density-functional theory. These parameters and Hamiltonian will be useful for modeling physical properties of phosphorene....

  4. CSF oligoclonal banding - slideshow

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/presentations/100145.htm CSF oligoclonal banding - series—Normal anatomy To use the ... 5 out of 5 Overview The cerebrospinal fluid (CSF) serves to supply nutrients to the central nervous ...

  5. Decay of superdeformed bands

    International Nuclear Information System (INIS)

    Carpenter, M.P.; Khoo, T.L.; Lauritsen, T.

    1995-01-01

    One of the major challenges in the study of superdeformation is to directly connect the large number of superdeformed bands now known to the yrast states. In this way, excitation energies, spins and parities can be assigned to the levels in the second well which is essential to establish the collective and single-particle components of these bands. This paper will review some of the progress which has been made to understand the decay of superdeformed bands using the new arrays including the measurement of the total decay spectrum and the establishment of direct one-step decays from the superdeformed band to the yrast line in 194 Hg. 42 refs., 5 figs

  6. Laparoscopic gastric banding

    Science.gov (United States)

    ... eat by making you feel full after eating small amounts of food. After surgery, your doctor can adjust the band ... You will feel full after eating just a small amount of food. The food in the small upper pouch will ...

  7. Gastropericardial Fistula as a Late Complication of Laparoscopic Gastric Banding

    Directory of Open Access Journals (Sweden)

    Adam A Rudd

    2017-01-01

    Full Text Available Laparoscopic adjustable gastric banding (LAGB is a bariatric procedure that is being performed with increasing frequency as an alternative management option for morbid obesity. Several common complications have been reported including gastric band slippage and associated pouch dilatation, intragastric erosion of the band, gastric wall perforation, and abscess formation. We present a case of gastropericardial fistula occurring nine years after an LAGB. There have been no previous documented cases of the complication after this procedure.

  8. Ferritin associates with marginal band microtubules

    International Nuclear Information System (INIS)

    Infante, Anthony A.; Infante, Dzintra; Chan, M.-C.; How, P.-C.; Kutschera, Waltraud; Linhartova, Irena; Muellner, Ernst W.; Wiche, Gerhard; Propst, Friedrich

    2007-01-01

    We characterized chicken erythrocyte and human platelet ferritin by biochemical studies and immunofluorescence. Erythrocyte ferritin was found to be a homopolymer of H-ferritin subunits, resistant to proteinase K digestion, heat stable, and contained iron. In mature chicken erythrocytes and human platelets, ferritin was localized at the marginal band, a ring-shaped peripheral microtubule bundle, and displayed properties of bona fide microtubule-associated proteins such as tau. Red blood cell ferritin association with the marginal band was confirmed by temperature-induced disassembly-reassembly of microtubules. During erythrocyte differentiation, ferritin co-localized with coalescing microtubules during marginal band formation. In addition, ferritin was found in the nuclei of mature erythrocytes, but was not detectable in those of bone marrow erythrocyte precursors. These results suggest that ferritin has a function in marginal band formation and possibly in protection of the marginal band from damaging effects of reactive oxygen species by sequestering iron in the mature erythrocyte. Moreover, our data suggest that ferritin and syncolin, a previously identified erythrocyte microtubule-associated protein, are identical. Nuclear ferritin might contribute to transcriptional silencing or, alternatively, constitute a ferritin reservoir

  9. Excitonic polarons in quasi-one-dimensional LH1 and LH2 bacteriochlorophyll a antenna aggregates from photosynthetic bacteria: A wavelength-dependent selective spectroscopy study

    International Nuclear Information System (INIS)

    Freiberg, Arvi; Raetsep, Margus; Timpmann, Kou; Trinkunas, Gediminas

    2009-01-01

    Spectral characteristics of the optically excited states in the ring-shaped quasi-one-dimensional aggregates comprising 18 and 32 tightly coupled bacteriochlorophyll a molecules have been investigated using selective spectroscopy methods and theoretical modelling of the data. Distinguished by the lowest electronic transition energies in the LH2 and LH1 antenna complexes these aggregates govern the functionally important ultrafast funneling of solar excitation energy in the photosynthetic membranes of purple bacteria. It was found by using a sophisticated differential fluorescence line narrowing method that exciton-phonon coupling in terms of the dimensionless Huang-Rhys factor is strong in these systems, justifying an excitonic polaron theoretical approach for the data analysis. Although we reached this qualitative conclusion already previously, in this work essential dependence of the exciton-phonon coupling strength and reorganization energy on excitation wavelength as well as on excitation light fluence has been established. We then show that these results corroborate with the properties of excitonic polarons in diagonally disordered ensembles of the aggregates. Furthermore, the weighted density of states of the phonon modes, which is an important characteristic of dynamical systems interacting with their surroundings, was derived. Its shape, being similar for all studied circular aggregates, deviates significantly from a reference profile describing local response of a protein to the Q y electronic transition in a single bacteriochlorophyll a molecule. Similarities of the data for regular and B800 deficient mutant LH2 complexes indicate that the B800 pigments have no direct influence on the electronic states of the B850 aggregate system. Consistent set of model parameters was determined, unambiguously implying that excitonic polarons, rather than bare excitons are proper lowest-energy optical excitations in the LH1 and LH2 antenna complexes

  10. Excitonic polarons in quasi-one-dimensional LH1 and LH2 bacteriochlorophyll a antenna aggregates from photosynthetic bacteria: A wavelength-dependent selective spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Freiberg, Arvi [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Institute of Molecular and Cell Biology, University of Tartu, Riia 23, 51010 Tartu (Estonia)], E-mail: arvi.freiberg@ut.ee; Raetsep, Margus; Timpmann, Kou [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Trinkunas, Gediminas [Insitute of Physics, Savanoriu pr. 231, LT-02300 Vilnius (Lithuania)

    2009-02-23

    Spectral characteristics of the optically excited states in the ring-shaped quasi-one-dimensional aggregates comprising 18 and 32 tightly coupled bacteriochlorophyll a molecules have been investigated using selective spectroscopy methods and theoretical modelling of the data. Distinguished by the lowest electronic transition energies in the LH2 and LH1 antenna complexes these aggregates govern the functionally important ultrafast funneling of solar excitation energy in the photosynthetic membranes of purple bacteria. It was found by using a sophisticated differential fluorescence line narrowing method that exciton-phonon coupling in terms of the dimensionless Huang-Rhys factor is strong in these systems, justifying an excitonic polaron theoretical approach for the data analysis. Although we reached this qualitative conclusion already previously, in this work essential dependence of the exciton-phonon coupling strength and reorganization energy on excitation wavelength as well as on excitation light fluence has been established. We then show that these results corroborate with the properties of excitonic polarons in diagonally disordered ensembles of the aggregates. Furthermore, the weighted density of states of the phonon modes, which is an important characteristic of dynamical systems interacting with their surroundings, was derived. Its shape, being similar for all studied circular aggregates, deviates significantly from a reference profile describing local response of a protein to the Q{sub y} electronic transition in a single bacteriochlorophyll a molecule. Similarities of the data for regular and B800 deficient mutant LH2 complexes indicate that the B800 pigments have no direct influence on the electronic states of the B850 aggregate system. Consistent set of model parameters was determined, unambiguously implying that excitonic polarons, rather than bare excitons are proper lowest-energy optical excitations in the LH1 and LH2 antenna complexes.

  11. Frequency and temperature dependence of the electrical conductivity of KTaO3; Li and PbTiO3; La, Cu: Indication of a low temperature polaron mechanism

    International Nuclear Information System (INIS)

    Levstik, A.; Filipic, C.; Bidault, O.; Maglione, M.

    2008-01-01

    Recently, the concept of polarons has again been at the focus of solid-state research, as it can constitute the basis for understanding the high-temperature superconductivity or the colossal magnetoresistance of materials. More than a decade ago there were some indications that polarons play an important role in explaining low temperature maxima in imaginary part of the dielectric constant ε '' (T) in ABO 3 perovskites. In the present work we report the ac electrical conductivities of KTaO 3 ; Li and PbTiO 3 ; La, Cu and their frequency and temperature dependence. The real part of the complex ac conductivity was found to follow the universal dielectric response σ ' ∝ν s . A detailed theoretical analysis of the temperature dependence of the parameter s revealed that, at low temperatures, the tunnelling of small polarons is the dominating charge transport mechanism in ABO 3 perovskites

  12. Electric field control of the small-polaron hopping conduction in spatial confined Pr0.7(Ca0.6Sr0.40.3MnO3/PMN-PT heterostructure

    Directory of Open Access Journals (Sweden)

    Hao Kuang

    2017-05-01

    Full Text Available The electric field dependent high-temperature small-polaron hopping conduction was investigated in patterned Pr0.7(Ca0.6Sr0.40.3MnO3 strips. The small-polaronic activation energy EA and the carrier localization were found to decrease with the reduction of the strip size. Meanwhile, a similar dependence on the strip size was also obtained for the calculated small-polaron coupling constants, which could be related to the strain relaxation in strips. These results indicate that the spatial confinement prefers to delocalize the carrier and reduce the electron-phonon interaction. Furthermore, opposite variation trends of EA under negative and positive electric field were found in the strips with small size, which could be attributed to the enhancement of polarization effect induced by the reduction of strip size.

  13. Polaronic effects on the off-center donor impurity in AlAs/GaAs/SiO2 spherical core/shell quantum dots

    Science.gov (United States)

    El Haouari, M.; Feddi, E.; Dujardin, F.; Restrepo, R. L.; Mora-Ramos, M. E.; Duque, C. A.

    2017-11-01

    The ground state of a conduction electron coupled to an off-center impurity donor in a AlAS/GaAs spherical core/shell quantum dot is investigated theoretically. The image-charge effect and the influence of the electron-polar-LO-phonon interaction are considered. The electron-impurity binding energy is calculated via a variational procedure and is reported both as a function of the shell width and of the radial position of the donor atom. The polaronic effects on this quantity are particularly discussed.

  14. New Kronig-Penney equation emphasizing the band edge conditions

    International Nuclear Information System (INIS)

    Szmulowicz, Frank

    2008-01-01

    The Kronig-Penney problem is a textbook example for discussing band dispersions and band gap formation in periodic layered media. For example, in photonic crystals, the behaviour of bands next to the band edges is important for further discussions of such effects as inhibited light emission, slow light and negative index of refraction. However, the standard Kronig-Penney equation does not explicitly state the band edge conditions. This paper derives a new solution for the Kronig-Penney problem that explicitly displays the band edge conditions as well as contains all other essential physics of band formation. Therefore, the present exposition should show the student that the band edge conditions are not simply special cases of the familiar Kronig-Penney equation but, instead, are an integral part of the band theory. For the computationally minded student, the new equation is particularly convenient for calculating the positions of closely spaced band edges. The present results can be taught alongside the Kronig-Penney equation in advanced undergraduate or beginning graduate quantum mechanics, solid state theory and photonics courses dealing with wave propagation through periodic layered media

  15. Ultra wide band antennas

    CERN Document Server

    Begaud, Xavier

    2013-01-01

    Ultra Wide Band Technology (UWB) has reached a level of maturity that allows us to offer wireless links with either high or low data rates. These wireless links are frequently associated with a location capability for which ultimate accuracy varies with the inverse of the frequency bandwidth. Using time or frequency domain waveforms, they are currently the subject of international standards facilitating their commercial implementation. Drawing up a complete state of the art, Ultra Wide Band Antennas is aimed at students, engineers and researchers and presents a summary of internationally recog

  16. Effect of different sulphur precursors on morphology and band-gap on the formation of Cu{sub 2}ZnSnS{sub 4} (CZTS) particles with microwave irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Patro, Bharati; Vijaylakshmi, S., E-mail: vlakshmi@iitb.ac.in [Centre for Research in Nanotechnology and Sciences, Indian Institute of Technology Bombay (India); Sharma, Pratibha [Department of Energy Sciences and Engineering, Indian Institute of Technology Bombay (India)

    2016-05-23

    Cu{sub 2}ZnSnS{sub 4} (CZTS) is a promising semiconductor material for ecological cost effective thin film Photovoltaic (PV) devices. As it contains earth abundant and non-toxic elements, it has the advantages over commercially available CIGS and CdTe thin film PV devices. In the present work, the pure phase Cu{sub 2}ZnSnS{sub 4} particles were successfully synthesised with microwave irradiation. The morphology and phase study was carried out for the samples prepared with two different sulphur precursors viz. thiourea and thioacetamide (TAA). CZTS particles with thiourea as sulphur precursor are more crystalline than CZTS particles with TAA. The band gap of 1.654 eV and 1.713 eV were calculated for the samples prepared with thiourea and TAA respectively.

  17. Small polaron hopping conduction in samples of ceramic La1.4Sr1.6Mn2O7.06

    International Nuclear Information System (INIS)

    Nakatsugawa, H.; Iguchi, E.; Jung, W.H.; Munakata, F.

    1999-01-01

    The ceramic sample of La 1.4 Sr 1.6 Mn 2 O 7.06 exhibits the metal-insulator transition and a negative magnetoresistance in the vicinity of the Curie temperature (T C ∼ 100 K). The dc magnetic susceptibility between 100 K and 280 K is nearly constant and decreases gradually with increasing temperature above 280 K. The measurements of dc resistivity and the thermoelectric power indicate that small polaron hopping conduction takes place at T > 280 K. The spin ordering due to the two-dimensional d x 2 -y 2 state occurring at T > 280 K is directly related to the hopping conduction above 280 K, although the spin ordering due to the one-dimensional d 3z 2 -r 2 state takes place at T > T C . The two-dimensional d x 2 -y 2 state extending within the MnO 2 sheets starts to narrow and leads to the carrier localisation at 280 K. The effective number of holes in this sample estimated from the thermoelectric power is considerably smaller than the nominal value. This indicates that the small polaron hopping conduction takes place predominantly within the in-plane MnO 2 sheets. A discussion is given of the experimental results of the ceramic sample of La 2/3 Ca 1/3 MnO 2.98 . Copyright (1999) CSIRO Australia

  18. Polaronic Nonmetal-Correlated Metal Crossover System β'-CuxV2O5 with Anharmonic Copper Oscillation and Thermoelectric Conversion Performance

    Science.gov (United States)

    Onoda, Masashige; Sato, Takuma

    2017-12-01

    The crystal structures and electronic properties of β'CuxV2O5 are explored through measurements of X-ray four-circle diffraction, electrical resistivity, thermoelectric power, thermal conductivity, magnetization, and electron paramagnetic resonance. For various compositions with 0.243 ≤ x ≤ 0.587, the crystal structures are redetermined through the anharmonic approach of the copper displacement factors, where the anharmonicity is reduced with increasing Cu concentration. The electron transport for x ≤ 0.45 is nonmetallic due to polaron hopping and the random potential of Cu ions, while for x = 0.60, a correlated Fermi-liquid state appears with a Wilson ratio of 1.3 and a Kadowaki-Woods ratio close to the universal value for heavy-fermion systems. At around x = 0.50, the polaronic bandwidth may broaden so that the Hubbard subbands caused by the electron correlation will overlap. The nonmetallic composition in the proximity of the nonmetal-metal crossover shows a dimensionless thermoelectric power factor of 10-2 at 300 K, partly due to the anharmonic copper oscillation.

  19. The effect of correlations on the non-ohmic behavior of the small-polaron hopping conductivity in 1D and 3D disordered systems

    International Nuclear Information System (INIS)

    Dimakogianni, M; Triberis, G P

    2010-01-01

    According to percolation theory the investigation of charge transport in disordered systems is equivalent to the study of the possibility of the passage of the carriers through a random network of impedances which interconnect the different lattice sites. When the site energies are not the same, the energy of a site affects the incoming as well as the outgoing impedances connected to the given site and this gives rise to correlations between neighboring impedances. This new condition characterizes the transport process and imposes the evaluation of the average number of sites accessible by a bond from a given site for all possible configurations of sites that satisfy the percolation condition. The generalized molecular crystal model, appropriate for the study of small-polaron hopping transport in disordered systems, and the Kubo formula permit the evaluation of these impedances. Taking correlations into account, theoretical percolation considerations applicable to one-dimensional and three-dimensional disordered systems, lead to analytical expressions for the temperature and electric field dependence of the DC conductivity at high (multi-phonon-assisted hopping) and low (few-phonon-assisted hopping) temperatures. The theoretical analysis reveals the effect of correlations on the non-ohmic behavior of the small-polaron hopping conductivity and permits the evaluation of the maximum hopping distance. Quantitative estimates of this effect are presented comparing the theoretical results, including correlations with those ignoring them, previously reported, applying them to recent experimental data for a wide temperature range and from low up to moderate electric fields.

  20. Band-notched spiral antenna

    Science.gov (United States)

    Jeon, Jae; Chang, John

    2018-03-13

    A band-notched spiral antenna having one or more spiral arms extending from a radially inner end to a radially outer end for transmitting or receiving electromagnetic radiation over a frequency range, and one or more resonance structures positioned adjacent one or more segments of the spiral arm associated with a notch frequency band or bands of the frequency range so as to resonate and suppress the transmission or reception of electromagnetic radiation over said notch frequency band or bands.

  1. The hierarchically organized splitting of chromosome bands into sub-bands analyzed by multicolor banding (MCB).

    Science.gov (United States)

    Lehrer, H; Weise, A; Michel, S; Starke, H; Mrasek, K; Heller, A; Kuechler, A; Claussen, U; Liehr, T

    2004-01-01

    To clarify the nature of chromosome sub-bands in more detail, the multicolor banding (MCB) probe-set for chromosome 5 was hybridized to normal metaphase spreads of GTG band levels at approximately 850, approximately 550, approximately 400 and approximately 300. It could be observed that as the chromosomes became shorter, more of the initial 39 MCB pseudo-colors disappeared, ending with 18 MCB pseudo-colored bands at the approximately 300-band level. The hierarchically organized splitting of bands into sub-bands was analyzed by comparing the disappearance or appearance of pseudo-color bands of the four different band levels. The regions to split first are telomere-near, centromere-near and in 5q23-->q31, followed by 5p15, 5p14, and all GTG dark bands in 5q apart from 5q12 and 5q32 and finalized by sub-band building in 5p15.2, 5q21.2-->q21.3, 5q23.1 and 5q34. The direction of band splitting towards the centromere or the telomere could be assigned to each band separately. Pseudo-colors assigned to GTG-light bands were resistant to band splitting. These observations are in concordance with the recently proposed concept of chromosome region-specific protein swelling. Copyright 2003 S. Karger AG, Basel

  2. W-Band Sheet Beam Klystron Design

    International Nuclear Information System (INIS)

    Scheitrum, G.; Caryotakis, G.; Burke, A.; Jensen, A.; Jongewaard, E.; Krasnykh, A.; Neubauer, M.; Phillips, R.; Rauenbuehler, K.

    2011-01-01

    Sheet beam devices provide important advantages for very high power, narrow bandwidth RF sources like accelerator klystrons (1). Reduced current density and increased surface area result in increased power capabi1ity, reduced magnetic fields for focusing and reduced cathode loading. These advantages are offset by increased complexity, beam formation and transport issues and potential for mode competition in the ovennoded cavities and drift tube. This paper will describe the design issues encountered in developing a 100 kW peak and 2 kW average power sheet beam k1ystron at W-band including beam formation, beam transport, circuit design, circuit fabrication and mode competition.

  3. Calculating the optical properties of defects and surfaces in wide band gap materials

    Science.gov (United States)

    Deák, Peter

    2018-04-01

    The optical properties of a material critically depend on its defects, and understanding that requires substantial and accurate input from theory. This paper describes recent developments in the electronic structure theory of defects in wide band gap materials, where the standard local or semi-local approximations of density functional theory fail. The success of the HSE06 screened hybrid functional is analyzed in case of Group-IV semiconductors and TiO2, and shown that it is the consequence of error compensation between semi-local and non-local exchange, resulting in a proper derivative discontinuity (reproduction of the band gap) and a total energy which is a linear function of the fractional occupation numbers (removing most of the electron self-interaction). This allows the calculation of electronic transitions with accuracy unseen before, as demonstrated on the single-photon emitter NV(-) center in diamond and on polaronic states in TiO2. Having a reliable tool for electronic structure calculations, theory can contribute to the understanding of complicated cases of light-matter interaction. Two examples are considered here: surface termination effects on the blinking and bleaching of the light-emission of the NV(-) center in diamond, and on the efficiency of photocatalytic water-splitting by TiO2. Finally, an outlook is presented for the application of hybrid functionals in other materials, as, e.g., ZnO, Ga2O3 or CuGaS2.

  4. Noise exposure in marching bands

    Science.gov (United States)

    Keefe, Joseph

    2005-09-01

    Previous studies involving orchestras have shown that music ensembles can produce hazardous noise levels. There are no similar data for marching bands and pep bands. In order to evaluate the noise levels produced by marching and pep bands, 1/3-octave-band sound-pressure levels were measured while these groups rehearsed and performed. Data were collected while marching with the bands to ensure a realistic environment. Comparing these data to OSHA and NIOSH criteria, marching and pep band exposures often exceed safe values. For typical exposures, OSHA doses range from 11% to 295%, while NIOSH doses range from 35% to 3055%. Exposures that would be considered hazardous in the workplace are common in marching and pep bands; students and band directors should take steps to recognize the risk posed by various instruments and various locations, and should implement hearing conservation efforts.

  5. Proxy magnetometry of the photosphere: why are G-band bright points so bright?

    NARCIS (Netherlands)

    Rutten, R.J.; Kiselman, Dan; Voort, Luc Rouppe van der; Plez, Bertrand

    2000-01-01

    We discuss the formation of G-band bright points in terms of standard uxtube modeling, in particular the 1D LTE models constructed by Solanki and coworkers. Combined with LTE spectral synthesis they explain observed G-band bright point contrasts quite well. The G-band contrast increase over the

  6. Semiconductors bonds and bands

    CERN Document Server

    Ferry, David K

    2013-01-01

    As we settle into this second decade of the twenty-first century, it is evident that the advances in micro-electronics have truly revolutionized our day-to-day lifestyle. The technology is built upon semiconductors, materials in which the band gap has been engineered for special values suitable to the particular application. This book, written specifically for a one semester course for graduate students, provides a thorough understanding of the key solid state physics of semiconductors. It describes how quantum mechanics gives semiconductors unique properties that enabled the micro-electronics revolution, and sustain the ever-growing importance of this revolution.

  7. Degenerate band edge laser

    Science.gov (United States)

    Veysi, Mehdi; Othman, Mohamed A. K.; Figotin, Alexander; Capolino, Filippo

    2018-05-01

    We propose a class of lasers based on a fourth-order exceptional point of degeneracy (EPD) referred to as the degenerate band edge (DBE). EPDs have been found in parity-time-symmetric photonic structures that require loss and/or gain; here we show that the DBE is a different kind of EPD since it occurs in periodic structures that are lossless and gainless. Because of this property, a small level of gain is sufficient to induce single-frequency lasing based on a synchronous operation of four degenerate Floquet-Bloch eigenwaves. This lasing scheme constitutes a light-matter interaction mechanism that leads also to a unique scaling law of the laser threshold with the inverse of the fifth power of the laser-cavity length. The DBE laser has the lowest lasing threshold in comparison to a regular band edge laser and to a conventional laser in cavities with the same loaded quality (Q ) factor and length. In particular, even without mirror reflectors the DBE laser exhibits a lasing threshold which is an order of magnitude lower than that of a uniform cavity laser of the same length and with very high mirror reflectivity. Importantly, this novel DBE lasing regime enforces mode selectivity and coherent single-frequency operation even for pumping rates well beyond the lasing threshold, in contrast to the multifrequency nature of conventional uniform cavity lasers.

  8. Quasi-one-dimensional polaronic states due to the preferential reduction in the Li sub 1 sub + sub x V sub 3 O sub 8 insertion electrode

    CERN Document Server

    Onoda, M

    2003-01-01

    The structural and electronic properties of the Li sub 1 sub + sub x V sub 3 O sub 8 insertion electrode, where 0 sup 0.1 with nearly stoichiometric oxygen atoms, small polarons exist without carrier-creation energy at high temperatures, while at low temperatures the conduction may be of variable-range hopping (VRH) type. For x > 0.2, one-dimensional magnetic properties appear due to sizable exchange couplings and order-disorder effects of additional Li ions may lead to significant change of transport properties. For the intermediate composition 0 < x sup<= 0.1, strong randomness of the Li doping and the congenital oxygen deficiency cause VRH states even at high temperatures.

  9. Polaron effects on the linear and the nonlinear optical absorption coefficients and refractive index changes in cylindrical quantum dots with applied magnetic field

    International Nuclear Information System (INIS)

    Wu Qingjie; Guo Kangxian; Liu Guanghui; Wu Jinghe

    2013-01-01

    Polaron effects on the linear and the nonlinear optical absorption coefficients and refractive index changes in cylindrical quantum dots with the radial parabolic potential and the z-direction linear potential with applied magnetic field are theoretically investigated. The optical absorption coefficients and refractive index changes are presented by using the compact-density-matrix approach and iterative method. Numerical calculations are presented for GaAs/AlGaAs. It is found that taking into account the electron-LO-phonon interaction, not only are the linear, the nonlinear and the total optical absorption coefficients and refractive index changes enhanced, but also the total optical absorption coefficients are more sensitive to the incident optical intensity. It is also found that no matter whether the electron-LO-phonon interaction is considered or not, the absorption coefficients and refractive index changes above are strongly dependent on the radial frequency, the magnetic field and the linear potential coefficient.

  10. Wide band ENDOR spectrometer

    International Nuclear Information System (INIS)

    Mendonca Filho, C.

    1973-01-01

    The construction of an ENDOR spectrometer operating from 0,5 to 75 MHz within a single band, with ore Klystron and homodine detection, and no fundamental changes on the electron spin resonance spectrometer was described. The ENDOR signal can be detected both by amplitude modulation of the frequency field, or direct detection of the ESR output, which is taken to a signal analyser. The signal-to-noise ratio is raised by averaging rather than filtering avoiding the use of long time constants, providing natural line widths. The experimental apparatus and the spectra obtained are described. A discussion, relating the ENDOR line amplitudes with the experimental conditions is done and ENDOR mechanism, in which there is a relevant presence of cross relaxation is proposed

  11. Electronic band structure

    International Nuclear Information System (INIS)

    Grosso, G.

    1986-01-01

    The aim of this chapter is to present, in detail, some theoretical methods used to calculate electronic band structures in crystals. The basic strategies employed to attack the problem of electronic-structure calculations are presented. Successive sections present the basic formulations of the tight-binding, orthogonalized-plane-wave, Green'sfunction, and pseudopotential methods with a discussion of their application to perfect solids. Exemplifications in the case of a few selected problems provide further insight by the author into the physical aspects of the different methods and are a guide to the use of their mathematical techniques. A discussion is offered of completely a priori Hartree-Fock calculations and attempts to extend them. Special aspects of the different methods are also discussed in light of recently published related work

  12. Designing broad phononic band gaps for in-plane modes

    Science.gov (United States)

    Li, Yang Fan; Meng, Fei; Li, Shuo; Jia, Baohua; Zhou, Shiwei; Huang, Xiaodong

    2018-03-01

    Phononic crystals are known as artificial materials that can manipulate the propagation of elastic waves, and one essential feature of phononic crystals is the existence of forbidden frequency range of traveling waves called band gaps. In this paper, we have proposed an easy way to design phononic crystals with large in-plane band gaps. We demonstrated that the gap between two arbitrarily appointed bands of in-plane mode can be formed by employing a certain number of solid or hollow circular rods embedded in a matrix material. Topology optimization has been applied to find the best material distributions within the primitive unit cell with maximal band gap width. Our results reveal that the centroids of optimized rods coincide with the point positions generated by Lloyd's algorithm, which deepens our understandings on the formation mechanism of phononic in-plane band gaps.

  13. Observations of banding in first-year Arctic sea ice

    Science.gov (United States)

    Cole, David M.; Eicken, Hajo; Frey, Karoline; Shapiro, Lewis H.

    2004-08-01

    Horizontal banding features, alternating dark and bright horizontal bands apparent in ice cores and stratigraphic cross sections have long been observed in first-year sea ice and are frequently associated with bands of high and low brine or gas porosity. Observations on the land-fast ice near Barrow, Alaska, in recent years have revealed particularly striking banding patterns and prompted a study of their macroscopic and microscopic characteristics. The banding patterns are quantified from photographs of full-depth sections of the ice, and examples are presented from the Chukchi Sea and Elson Lagoon. Statistics on band spacing are presented, and the growth records for three seasons are employed to estimate their time of formation. These data provide insight into the periodicity of the underlying phenomena. Micrographs are used to examine the microstructural variations associated with various banding features and to quantify the geometry of the constituent brine inclusions associated with high- and low-porosity bands. The micrography revealed that the area fraction of brine inclusions varied by a factor of nearly 3 through the more pronounced high- and low-porosity bands. Vertical micrographs obtained shortly after the materials' removal from the ice sheet showed that significantly larger inclusions form abruptly at the start of the high-porosity bands and frequently terminate abruptly at the end of the band. Crystallographic observations indicated that the high-porosity bands supported the nucleation and growth of crystals having substantially different orientations from the very well aligned columnar structure that characterized the bulk of the sheet.

  14. Band structure and optical properties of opal photonic crystals

    OpenAIRE

    Pavarini, E.; Andreani, L. C.; Soci, C.; Galli, M.; Marabelli, F.; Comoretto, D.

    2005-01-01

    A theoretical approach for the interpretation of reflectance spectra of opal photonic crystals with fcc structure and (111) surface orientation is presented. It is based on the calculation of photonic bands and density of states corresponding to a specified angle of incidence in air. The results yield a clear distinction between diffraction in the direction of light propagation by (111) family planes (leading to the formation of a stop band) and diffraction in other directions by higher-order...

  15. What band rocks the MTB? (Invited)

    Science.gov (United States)

    Kind, J.; García-Rubio, I.; Gehring, A. U.

    2013-12-01

    Magnetotactic bacteria (MTB) are a polyphyletic group of bacteria that have been found in marine and lacustrine environments and soils [e.g. 1]. The hallmark of MTB is their intracellular formation of magnetosomes, single-domain ferrimagnetic particles that are aligned in chains. The chain configuration generates a strong magnetic dipole, which is used as magnetic compass to move the MTB into their favorable habit. The term band corresponds to a frequency window of microwaves in the gigahertz (GHz) range. Ferromagnetic resonance (FMR) spectroscopy uses the microwave absorption in a magnetic field to analyze the anisotropy properties and the domain state of magnetic materials. Specific microwave frequency causes absorption in a characteristic magnetic field range. For the investigation of MTB we use S-band (4.02 GHz), X-band (9.47 GHz), and Q-band (34.16 GHz). Experiments on cultured MTB and on sediment samples of Holocene age showed that absorption in X- and Q-band occurs when the sample is in a saturated or nearly saturated state [2, 3]. By contrast, absorption in the S-band appears in lower magnetic fields, where the sample is far from saturation. All FMR spectra show two distinct low-field features that can be assigned to magnetite particles in chains, aligned parallel and perpendicular to the external magnetic field. The detailed separation of the parallel and perpendicular components in the bulk samples is hampered, because of the random orientation of the chains in the sample. The comparison of S-, X-, and Q-band shows that the lower the frequency the better the separation of the components. In the S-band FMR spectroscopy, the separation of chains parallel to the external magnetic field is supported by the internal field of the sample. This field is caused by the remanence that contributes to the external magnetic field to fulfill the resonance condition [3,4]. Considering the different FMR responses, it can be postulated that a lower microwave frequency

  16. Optical rotation and electron spin resonance of an electro-optically active polythiophene

    International Nuclear Information System (INIS)

    Goto, Hiromasa

    2010-01-01

    Graphical abstract: The electro-chiroptical polythiophene displays optical rotation at wavelengths corresponding to the doping band observable in the absorption spectra. The formation of polarons on the main-chain is confirmed by electron spin resonance measurements. - Abstract: A chiroptical polythiophene, is synthesized by electrolytic polymerization in a cholesteric liquid crystal electrolyte solution. The polymer displays a fingerprint texture similar to that of the cholesteric electrolyte solution. Upon electrochemical doping, the polymer displays optical rotation at wavelengths corresponding to the doping band observable in the absorption spectra. The formation of polarons on the main-chain is confirmed by electron spin resonance measurements. The results demonstrate the intermolecular chirality of polarons in this π-conjugated polymer, indicating continuum delocalized polarons are in a three-dimensional helical environment.

  17. Peristalticity-driven banded chemical garden

    Science.gov (United States)

    Pópity-Tóth, É.; Schuszter, G.; Horváth, D.; Tóth, Á.

    2018-05-01

    Complex structures in nature are often formed by self-assembly. In order to mimic the formation, to enhance the production, or to modify the structures, easy-to-use methods are sought to couple engineering and self-assembly. Chemical-garden-like precipitation reactions are frequently used to study such couplings because of the intrinsic chemical and hydrodynamic interplays. In this work, we present a simple method of applying periodic pressure fluctuations given by a peristaltic pump which can be used to achieve regularly banded precipitate membranes in the copper-phosphate system.

  18. Absence of photoemission from the Fermi level in potassium intercalated picene and coronene films: structure, polaron, or correlation physics?

    Science.gov (United States)

    Mahns, Benjamin; Roth, Friedrich; Knupfer, Martin

    2012-04-07

    The electronic structure of potassium intercalated picene and coronene films has been studied using photoemission spectroscopy. Picene has additionally been intercalated using sodium. Upon alkali metal addition core level as well as valence band photoemission data signal a filling of previously unoccupied states of the two molecular materials due to charge transfer from potassium. In contrast to the observation of superconductivity in K(x)picene and K(x)coronene (x ~ 3), none of the films studied shows emission from the Fermi level, i.e., we find no indication for a metallic ground state. Several reasons for this observation are discussed.

  19. Experimental manifestations of the Nb.sup.4+./sup.-O.sup.-./sup. polaronic excitons in KTa.sub.0.988./sub.Nb.sub.0.012./sub.O.sub.3./sub..

    Czech Academy of Sciences Publication Activity Database

    Yusupov, R.V.; Gracheva, I.N.; Rodionov, A.A.; Syrnikov, P. P.; Gubaev, A. I.; Dejneka, Alexandr; Jastrabík, Lubomír; Trepakov, V.A.; Salakhov, M.K.

    2011-01-01

    Roč. 84, č. 17 (2011), 174118/1-174118/7 ISSN 1098-0121 R&D Projects: GA MŠk(CZ) 1M06002 Institutional research plan: CEZ:AV0Z10100522 Keywords : photoinduced EPR * Nb 4+ -O - polaronic excitons * KTa 0.988 Nb 0.012 O 3 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.691, year: 2011

  20. Report from the banding lab

    Science.gov (United States)

    Tautin, J.

    1995-01-01

    Mr. Tautin reported on the seemingly everchanging structure of biological science units within the Interior Department. Current Congressional proposals would either change the name of the Bird Banding Lab's parent agency or make it part of the Geological Survey. The current Congress has not looked favorably on science budgets within the Interior Department, and the Banding Lab's budget is being squeezed ever tighter.

  1. Polaronic and bipolaronic structures in the adiabatic Hubbard-Hostein model involving 2 electrons and in its extensions; Structures polaroniques et bipolaroniques dans le modele de hostein hubbard adiabatique a deux electrons et ses extensions

    Energy Technology Data Exchange (ETDEWEB)

    Proville, L

    1998-03-30

    This thesis brings its contribution to the bipolaronic theory which might explain the origin of superconductivity at high temperature. A polaron is a quasiparticle made up of a localized electron and a deformation in the crystal structure. 2 electrons in singlet states localized on the same site form a bipolaron. Whenever the Coulomb repulsion between the 2 electrons is too strong bipolaron turns into 2 no bound polarons. We study the existence and the mobility of bipolarons. We describe the electron-phonon interaction by the Holstein term and the Coulomb repulsion by the Hubbard term. 2 assumptions are made: - the local electron-phonon interaction is strong and opposes the Coulomb repulsion between Hubbard type electrons - the system is close to the adiabatic limit. The system is reduced to 2 electrons in order to allow an exact treatment and the investigation of some bipolaronic bound states. At 2-dimensions the existence of bipolarons requires a very strong coupling which forbids any classical mobility. In some cases an important tunneling effect appears and we show that mobile bipolarons exist in a particular parameter range. Near the adiabatic limit we prove that polaronic and bipolaronic structures exist for a great number of electrons. (A.C.) 33 refs.

  2. Dual-band infrared camera

    Science.gov (United States)

    Vogel, H.; Schlemmer, H.

    2005-10-01

    Every year, numerous accidents happen on European roads due to bad visibility (fog, night, heavy rain). Similarly, the dramatic aviation accidents of year 2001 in Milan and Zurich have reminded us that aviation safety is equally affected by reduced visibility. A dual-band thermal imager was developed in order to raise human situation awareness under conditions of reduced visibility especially in the automotive and aeronautical context but also for all transportation or surveillance tasks. The chosen wavelength bands are the Short Wave Infrared SWIR and the Long Wave Infrared LWIR band which are less obscured by reduced visibility conditions than the visible band. Furthermore, our field tests clearly show that the two different spectral bands very often contain complementary information. Pyramidal fusion is used to integrate complementary and redundant features of the multi-spectral images into a fused image which can be displayed on a monitor to provide more and better information for the driver or pilot.

  3. Investigations on crack formation in fatigue slip bands

    International Nuclear Information System (INIS)

    Hunsche, A.

    1982-01-01

    The aim of this study was to reproduce the surface topography of metals at cyclic loads as well as its variation with time by means of modern methods and to investigate it. Particular attention was given to the statistical support of the quantitative results by sufficiently large samples. This requires the development of preparation methods that are simple and can be quickly carried out. The material chosen was copper, because a particularly extended information background is available there. (orig./RW) [de

  4. Electrophoretic formation of semiconductor layers with adjustable band gap

    Science.gov (United States)

    Shindrov, Alexander; Yuvchenko, Sergey; Vikulova, Maria; Tretyachenko, Elena; Zimnyakov, Dmitry; Gorokhovsky, Alexander

    2017-11-01

    The ceramic layers of the potassium polytitanates modified by transition metal salts were electrophoretically deposited onto the surface of glassy substrate coated with indium-tin oxide. The deposition allows obtaining a dense ceramic layer formed by composite agglomerates consisting of nanoscale particles with average size of 130-190 nm. The optical absorption spectra of the coatings modified in the mixtures of aqueous solutions of different transition metal salts were investigated. It was recognized that a bandgap value of these composites can be adjusted in a range from 1.4 to 2.3 eV depending the chemical composition of layered double hydroxide obtained during modification. This might be very promising for optoelectronic applications of such coatings due to an explicit control of optical properties.

  5. The effects of optical phonon on the binding energy of bound polaron in a wurtzite ZnO/MgxZn1−xO quantum well

    International Nuclear Information System (INIS)

    Zhao, Feng-Qi; Guo, Zi-Zheng; Zhu, Jun

    2014-01-01

    An improved Lee-Low-Pines intermediate coupling method is used to study the energies and binding energies of bound polarons in a wurtzite ZnO/Mg x Zn 1−x O quantum well. The contributions from different branches of long-wave optical phonons, i.e., confined optical phonons, interface optical phonons, and half-space optical phonons are considered. In addition to electron-phonon interaction, the impurity-phonon interaction, and the anisotropy of material parameters, such as phonon frequency, electron effective mass, and dielectric constant, are also included in our computation. Ground-state energies, binding energies and detailed phonon contributions from various phonons as functions of well width, impurity position and composition are presented. Our result suggests that total phonon contribution to ground state and binding energies in the studied wurtzite ZnO/Mg 0.3 Zn 0.7 O quantum wells varies between 28–23 meV and 62–45 meV, respectively, which are much larger than the corresponding values (about 3.2–1.8 meV and 1.6–0.3 meV) in GaAs/Al 0.3 Ga 0.7 As quantum wells. For a narrower quantum well, the phonon contribution mainly comes from interface and half-space phonons, for a wider quantum well, most of phonon contribution originates from confined phonons. The contribution from all the phonon modes to binding energies increases slowly either when impurity moves far away from the well center in the z direction or with the increase in magnesium composition (x). It is found that different phonons have different influences on the binding energies of bound polarons. Furthermore, the phonon contributions to binding energies as functions of well width, impurity position, and composition are very different from one another. In general, the electron-optical phonon interaction and the impurity center-optical phonon interaction play an important role in electronic states of ZnO-based quantum wells and cannot be neglected.

  6. SINGLE-BAND, TRIPLE-BAND, OR MULTIPLE-BAND HUBBARD MODELS

    NARCIS (Netherlands)

    ESKES, H; SAWATZKY, GA

    1991-01-01

    The relevance of different models, such as the one-band t-J model and the three-band Emery model, as a realistic description of the electronic structure of high-T(c) materials is discussed. Starting from a multiband approach using cluster calculations and an impurity approach, the following

  7. Band gap effects of hexagonal boron nitride using oxygen plasma

    Energy Technology Data Exchange (ETDEWEB)

    Sevak Singh, Ram; Leong Chow, Wai [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Yingjie Tay, Roland [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Temasek Laboratories-NTU, 50 Nanyang Avenue, Singapore 639798 (Singapore); Hon Tsang, Siu [Temasek Laboratories-NTU, 50 Nanyang Avenue, Singapore 639798 (Singapore); Mallick, Govind [Temasek Laboratories-NTU, 50 Nanyang Avenue, Singapore 639798 (Singapore); Weapons and Materials Research Directorate, U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States); Tong Teo, Edwin Hang, E-mail: htteo@ntu.edu.sg [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore)

    2014-04-21

    Tuning of band gap of hexagonal boron nitride (h-BN) has been a challenging problem due to its inherent chemical stability and inertness. In this work, we report the changes in band gaps in a few layers of chemical vapor deposition processed as-grown h-BN using a simple oxygen plasma treatment. Optical absorption spectra show a trend of band gap narrowing monotonically from 6 eV of pristine h-BN to 4.31 eV when exposed to oxygen plasma for 12 s. The narrowing of band gap causes the reduction in electrical resistance by ∼100 fold. The x-ray photoelectron spectroscopy results of plasma treated hexagonal boron nitride surface show the predominant doping of oxygen for the nitrogen vacancy. Energy sub-band formations inside the band gap of h-BN, due to the incorporation of oxygen dopants, cause a red shift in absorption edge corresponding to the band gap narrowing.

  8. Band gap effects of hexagonal boron nitride using oxygen plasma

    International Nuclear Information System (INIS)

    Sevak Singh, Ram; Leong Chow, Wai; Yingjie Tay, Roland; Hon Tsang, Siu; Mallick, Govind; Tong Teo, Edwin Hang

    2014-01-01

    Tuning of band gap of hexagonal boron nitride (h-BN) has been a challenging problem due to its inherent chemical stability and inertness. In this work, we report the changes in band gaps in a few layers of chemical vapor deposition processed as-grown h-BN using a simple oxygen plasma treatment. Optical absorption spectra show a trend of band gap narrowing monotonically from 6 eV of pristine h-BN to 4.31 eV when exposed to oxygen plasma for 12 s. The narrowing of band gap causes the reduction in electrical resistance by ∼100 fold. The x-ray photoelectron spectroscopy results of plasma treated hexagonal boron nitride surface show the predominant doping of oxygen for the nitrogen vacancy. Energy sub-band formations inside the band gap of h-BN, due to the incorporation of oxygen dopants, cause a red shift in absorption edge corresponding to the band gap narrowing

  9. On the simulation of kink bands in fiber reinforced composites

    DEFF Research Database (Denmark)

    Sørensen, K.D.; Mikkelsen, Lars Pilgaard; Jensen, H.M.

    2007-01-01

    Simulations of kink band formation in fiber reinforced composites are carried out using the commercial finite element program ABAQUS. A smeared-out, plane constitutive model for fiber reinforced materials is implemented as a user subroutine, and effects of fiber misalignment on elastic and plastic...

  10. Polaronic transport and thermoelectricity in Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2)

    Science.gov (United States)

    Liu, Yu; Kang, Chang-Jong; Stavitski, Eli; Du, Qianheng; Attenkofer, Klaus; Kotliar, G.; Petrovic, C.

    2018-04-01

    We report a study of Co-doped berthierite Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2). The alloy series of Fe1 -xCoxSb2S4 crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb2, and show semiconducting behavior. The large discrepancy between activation energy for conductivity, Eρ (146 ˜270 meV ), and thermopower, ES (47 ˜108 meV ), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb2S4 (x =0 ) exhibit a broad antiferromagnetic transition (TN=46 K ) followed by an additional weak transition (T*=50 K ). Transition temperatures (TN and T*) slightly decrease with increasing Co content x . This is also reflected in the thermal conductivity measurement, indicating strong spin-lattice coupling. Fe1 -xCoxSb2S4 shows relatively high value of thermopower (up to ˜624 μ V K-1 at 300 K) and thermal conductivity much lower when compared to FeSb2, a feature desired for potential applications based on FeSb2 materials.

  11. Propagation effect on photoluminescence of spin-aligned high-density exciton magnetic polarons in Cd{sub 0.8}Mn{sub 0.2}Te

    Energy Technology Data Exchange (ETDEWEB)

    Nagata, M.; Hirase, T.; Miyajima, K., E-mail: miyajima@rs.tus.ac.jp

    2017-04-15

    Characteristics of photoluminescence (PL) originating from high-density exciton magnetic polarons (HD-EMPs) for Cd{sub 0.8}Mn{sub 0.2}Te were investigated. The PL appeared only under selective excitation of the localized excitons, and the intensity increased superlinearly with the excitation density. Directivity of the PL was revealed. Therefore, it is concluded that the superlinear increase in the PL intensity resulted from a light amplification process owing to the stimulated emission. In addition, the existence of birefringence that originates from a uniaxial gradation of the Mn ion concentrations was revealed. The degree of circular polarization (DOCP) of the PL is important to obtain the spin alignment state of the HD-EMPs. The initial DOCPs of the PL were examined by removing a variation of the polarization during propagation inside the sample. As a result, it was found that the initial DOCPs of the PL were almost constant for the photon energy. The obtained initial DOCPs exhibited different values for right- and left-circularly polarized excitations, which resulted from different mechanisms of the spin alignment of the HD-EMPs.

  12. Monte Carlo study of efficiency roll-off of phosphorescent organic light-emitting diodes: Evidence for dominant role of triplet-polaron quenching

    Energy Technology Data Exchange (ETDEWEB)

    Eersel, H. van, E-mail: h.v.eersel@tue.nl; Coehoorn, R. [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Philips Research Laboratories, High Tech Campus 4, 5656 AE Eindhoven (Netherlands); Bobbert, P. A.; Janssen, R. A. J. [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands)

    2014-10-06

    We present an advanced molecular-scale organic light-emitting diode (OLED) model, integrating both electronic and excitonic processes. Using this model, we can reproduce the measured efficiency roll-off for prototypical phosphorescent OLED stacks based on the green dye tris[2-phenylpyridine]iridium (Ir(ppy){sub 3}) and the red dye octaethylporphine platinum (PtOEP) and study the cause of the roll-off as function of the current density. Both the voltage versus current density characteristics and roll-off agree well with experimental data. Surprisingly, the results of the simulations lead us to conclude that, contrary to what is often assumed, not triplet-triplet annihilation but triplet-polaron quenching is the dominant mechanism causing the roll-off under realistic operating conditions. Simulations for devices with an optimized recombination profile, achieved by carefully tuning the dye trap depth, show that it will be possible to fabricate OLEDs with a drastically reduced roll-off. It is envisaged that J{sub 90}, the current density at which the efficiency is reduced to 90%, can be increased by almost one order of magnitude as compared to the experimental state-of-the-art.

  13. Monte Carlo study of efficiency roll-off of phosphorescent organic light-emitting diodes: Evidence for dominant role of triplet-polaron quenching

    International Nuclear Information System (INIS)

    Eersel, H. van; Coehoorn, R.; Bobbert, P. A.; Janssen, R. A. J.

    2014-01-01

    We present an advanced molecular-scale organic light-emitting diode (OLED) model, integrating both electronic and excitonic processes. Using this model, we can reproduce the measured efficiency roll-off for prototypical phosphorescent OLED stacks based on the green dye tris[2-phenylpyridine]iridium (Ir(ppy) 3 ) and the red dye octaethylporphine platinum (PtOEP) and study the cause of the roll-off as function of the current density. Both the voltage versus current density characteristics and roll-off agree well with experimental data. Surprisingly, the results of the simulations lead us to conclude that, contrary to what is often assumed, not triplet-triplet annihilation but triplet-polaron quenching is the dominant mechanism causing the roll-off under realistic operating conditions. Simulations for devices with an optimized recombination profile, achieved by carefully tuning the dye trap depth, show that it will be possible to fabricate OLEDs with a drastically reduced roll-off. It is envisaged that J 90 , the current density at which the efficiency is reduced to 90%, can be increased by almost one order of magnitude as compared to the experimental state-of-the-art.

  14. The 3 micron ice band

    International Nuclear Information System (INIS)

    Greenberg, J.M.; Bult, C.E.P.M. van de

    1984-01-01

    Ever since it was proposed that H 2 O could be a dominant constituent of interstellar grains, its detection, or lack thereof, has played a large role in theories of grains and their evolution. It now appears possible to provide a basic theoretical structure for the evolution of grains in molecular clouds based on current observational evidence and laboratory experiments on the ice band. Both band strengths and shapes can be reasonably predicted by grain models. (U.K.)

  15. Superdeformed bands in 130Ce

    International Nuclear Information System (INIS)

    Paul, E.S.; Semple, A.T.; Boston, A.J.; Joss, D.T.; Nolan, P.J.; Shepherd, S.L.

    1997-01-01

    Four superdeformed bands have been assigned to 130 Ce following a high-statistics γ-ray study using the EUROGAM II spectrometer. The strongest band exhibits two distinct backbends which, in one scenario, may be interpreted as crossings between high-j N = 6 neutron orbitals (νi 13/2 ) and low-j N = 4 orbitals (νd 3/2 ) in an unpaired system. (author)

  16. Dipole Bands in 196Hg

    International Nuclear Information System (INIS)

    Lawrie, J. J.; Lawrie, E. A.; Newman, R. T.; Sharpey-Schafer, J. F.; Smit, F. D.; Msezane, B.; Benatar, M.; Mabala, G. K.; Mutshena, K. P.; Federke, M.; Mullins, S. M.; Ncapayi, N. J.; Vymers, P.

    2011-01-01

    High spin states in 196 Hg have been populated in the 198 Pt(α,6n) reaction at 65 MeV and the level scheme has been extended. A new dipole band has been observed and a previously observed dipole has been confirmed. Excitation energies, spins and parities of these bands were determined from DCO ratio and linear polarization measurements. Possible quasiparticle excitations responsible for these structures are discussed.

  17. Real-time recursive hyperspectral sample and band processing algorithm architecture and implementation

    CERN Document Server

    Chang, Chein-I

    2017-01-01

    This book explores recursive architectures in designing progressive hyperspectral imaging algorithms. In particular, it makes progressive imaging algorithms recursive by introducing the concept of Kalman filtering in algorithm design so that hyperspectral imagery can be processed not only progressively sample by sample or band by band but also recursively via recursive equations. This book can be considered a companion book of author’s books, Real-Time Progressive Hyperspectral Image Processing, published by Springer in 2016. Explores recursive structures in algorithm architecture Implements algorithmic recursive architecture in conjunction with progressive sample and band processing Derives Recursive Hyperspectral Sample Processing (RHSP) techniques according to Band-Interleaved Sample/Pixel (BIS/BIP) acquisition format Develops Recursive Hyperspectral Band Processing (RHBP) techniques according to Band SeQuential (BSQ) acquisition format for hyperspectral data.

  18. Introduction to the viewpoint set on shear bands

    International Nuclear Information System (INIS)

    Hutchinson, J.W.

    1984-01-01

    Recent work aimed at improving our understanding of shear banding and flow localization as modes of deformation and failure is summarized in the six viewpoint articles which follow. For the most part, the emphasis here is on the observation and analysis of shear banding in metals, but active efforts are also underway to understand the role of shear bands in the deformation and failure of soils and rocks. There is a tendency to regard shear bands as a failure mode, as indeed they often are. But extensive straining under highly constrained conditions such as rolling can give rise to profuse flow localization into shear bands which can be regarded as microscopic in the sense that their extent is on the scale of the grains rather than the overall dimensions of the block of material being deformed. Hatherly and Malin describe in detail the observation of such bands and emphasize that they should be considered as a mode of deformation under these circumstances. They relate the formation of the bands to microstructural aspects and discuss their role in the development of recrystallization textures. It will be clear from reading the articles in this viewpoint set that the beginnings of a quantitative theory of shear banding is in place. Continued progress will require parallel developments in constitutive theory and experimental observation. Moreover, basic questions remain to be explored related to the spatial development of the shear bands, their mutual interaction, their development into a failure mode, and how these are influenced by factors such as overall deformational constraint, rate of straining, and temperature

  19. Spin dynamics of light-induced charge separation in composites of semiconducting polymers and PC60BM revealed using Q-band pulse EPR.

    Science.gov (United States)

    Lukina, E A; Suturina, E; Reijerse, E; Lubitz, W; Kulik, L V

    2017-08-23

    Light-induced processes in composites of semiconducting polymers and fullerene derivatives have been widely studied due to their usage as active layers of organic solar cells. However the process of charge separation under light illumination - the key process of an organic solar cell is not well understood yet. Here we report a Q-band pulse electron paramagnetic resonance study of composites of the fullerene derivative PC 60 BM ([6,6]-phenyl-C 61 -butyric acid methyl ester) with different p-type semiconducting polymers regioregular and regiorandom P3HT (poly(3-hexylthiophene-2,5-diyl), MEH-PPV (poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene]), PCDTBT (poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)]), PTB7 (poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}))), resulting in a detailed description of the in-phase laser flash-induced electron spin echo (ESE) signal. We found that in organic donor-acceptor composites the laser flash simultaneously induces species of two types: a polymer˙ + /fullerene˙ - spin-correlated polaron pair (SCPP) with an initial singlet spin state and (nearly) free polymer˙ + and fullerene˙ - species with non-equilibrium spin polarization. Species of the first type (SCPP) are well-known for polymer/fullerene blends and are usually associated with a charge-separated state. Also, spin polarization of long-living free species (polarons in deep traps) is affected by the laser flash, which is the third contribution to the flash-induced ESE signal. A protocol for extracting the in-phase ESE signal of the SCPP based on the dependence of the microwave nutation frequency on the strength of the spin coupling within the polaron pair was developed. Nutation experiments revealed an unusual pattern of the SCPP in RR-P3HT/PC 60 BM composites, from which the strength of the exchange interaction between the polymer

  20. Single-Band and Dual-Band Infrared Detectors

    Science.gov (United States)

    Ting, David Z. (Inventor); Gunapala, Sarath D. (Inventor); Soibel, Alexander (Inventor); Nguyen, Jean (Inventor); Khoshakhlagh, Arezou (Inventor)

    2017-01-01

    Bias-switchable dual-band infrared detectors and methods of manufacturing such detectors are provided. The infrared detectors are based on a back-to-back heterojunction diode design, where the detector structure consists of, sequentially, a top contact layer, a unipolar hole barrier layer, an absorber layer, a unipolar electron barrier, a second absorber, a second unipolar hole barrier, and a bottom contact layer. In addition, by substantially reducing the width of one of the absorber layers, a single-band infrared detector can also be formed.

  1. Adhesives for fixed orthodontic bands.

    Science.gov (United States)

    Millett, Declan T; Glenny, Anne-Marie; Mattick, Rye Cr; Hickman, Joy; Mandall, Nicky A

    2016-10-25

    Orthodontic treatment involves using fixed or removable appliances (dental braces) to correct the positions of teeth. It has been shown that the quality of treatment result obtained with fixed appliances is much better than with removable appliances. Fixed appliances are, therefore, favoured by most orthodontists for treatment. The success of a fixed orthodontic appliance depends on the metal attachments (brackets and bands) being attached securely to the teeth so that they do not become loose during treatment. Brackets are usually attached to the front and side teeth, whereas bands (metal rings that go round the teeth) are more commonly used on the back teeth (molars). A number of adhesives are available to attach bands to teeth and it is important to understand which group of adhesives bond most reliably, as well as reducing or preventing dental decay during the treatment period. To evaluate the effectiveness of the adhesives used to attach bands to teeth during fixed appliance treatment, in terms of:(1) how often the bands come off during treatment; and(2) whether they protect the banded teeth against decay during fixed appliance treatment. The following electronic databases were searched: Cochrane Oral Health's Trials Register (searched 2 June 2016), Cochrane Central Register of Controlled Trials (CENTRAL; 2016, Issue 5) in the Cochrane Library (searched 2 June 2016), MEDLINE Ovid (1946 to 2 June 2016) and EMBASE Ovid (1980 to 2 June 2016). We searched ClinicalTrials.gov and the World Health Organization International Clinical Trials Registry Platform for ongoing trials. No restrictions were placed on the language or date of publication when searching the electronic databases. Randomised and controlled clinical trials (RCTs and CCTs) (including split-mouth studies) of adhesives used to attach orthodontic bands to molar teeth were selected. Patients with full arch fixed orthodontic appliance(s) who had bands attached to molars were included. All review authors

  2. SRTM mission-cross comparison of X adn C band data properties

    Science.gov (United States)

    Rosen, P.; Eineder, M.; Rabus, B.; Gurrola, E.; Hensley, S.; Knopfle, W.; Breit, H.; Roth, A.; Werner, M.

    2001-01-01

    This paper compares the specific properties of the X and C band data sets with respect to global coverage, height accuracy, sensor specific errors, product definition, product format and availability.

  3. GPM GROUND VALIDATION NOAA S-BAND PROFILER ORIGINAL DWELL DATA MC3E V1

    Data.gov (United States)

    National Aeronautics and Space Administration — The S-band Profiler Original Dwell dataset in the netCDF format was gathered during the Midlatitude Continental Convective Clouds Experiment (MC3E) in Oklahoma...

  4. Optical model with multiple band couplings using soft rotator structure

    Science.gov (United States)

    Martyanov, Dmitry; Soukhovitskii, Efrem; Capote, Roberto; Quesada, Jose Manuel; Chiba, Satoshi

    2017-09-01

    A new dispersive coupled-channel optical model (DCCOM) is derived that describes nucleon scattering on 238U and 232Th targets using a soft-rotator-model (SRM) description of the collective levels of the target nucleus. SRM Hamiltonian parameters are adjusted to the observed collective levels of the target nucleus. SRM nuclear wave functions (mixed in K quantum number) have been used to calculate coupling matrix elements of the generalized optical model. Five rotational bands are coupled: the ground-state band, β-, γ-, non-axial- bands, and a negative parity band. Such coupling scheme includes almost all levels below 1.2 MeV of excitation energy of targets. The "effective" deformations that define inter-band couplings are derived from SRM Hamiltonian parameters. Conservation of nuclear volume is enforced by introducing a monopolar deformed potential leading to additional couplings between rotational bands. The present DCCOM describes the total cross section differences between 238U and 232Th targets within experimental uncertainty from 50 keV up to 200 MeV of neutron incident energy. SRM couplings and volume conservation allow a precise calculation of the compound-nucleus (CN) formation cross sections, which is significantly different from the one calculated with rigid-rotor potentials with any number of coupled levels.

  5. Designing Phononic Crystals with Wide and Robust Band Gaps

    Science.gov (United States)

    Jia, Zian; Chen, Yanyu; Yang, Haoxiang; Wang, Lifeng

    2018-04-01

    Phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with wide and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.

  6. Designing Phononic Crystals with Wide and Robust Band Gaps

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yanyu [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Jia, Zian [State University of New York at Stony Brook; Yang, Haoxiang [State University of New York at Stony Brook; Wang, Lifeng [State University of New York at Stony Brook

    2018-04-16

    Phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with wide and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.

  7. Band tailing and efficiency limitation in kesterite solar cells

    Science.gov (United States)

    Gokmen, Tayfun; Gunawan, Oki; Todorov, Teodor K.; Mitzi, David B.

    2013-09-01

    We demonstrate that a fundamental performance bottleneck for hydrazine processed kesterite Cu2ZnSn(S,Se)4 (CZTSSe) solar cells with efficiencies reaching above 11% can be the formation of band-edge tail states, which quantum efficiency and photoluminescence data indicate is roughly twice as severe as in higher-performing Cu(In,Ga)(S,Se)2 devices. Low temperature time-resolved photoluminescence data suggest that the enhanced tailing arises primarily from electrostatic potential fluctuations induced by strong compensation and facilitated by a lower CZTSSe dielectric constant. We discuss the implications of the band tails for the voltage deficit in these devices.

  8. Effect of Förster-mediated triplet-polaron quenching and triplet-triplet annihilation on the efficiency roll-off of organic light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Eersel, H. van [Simbeyond B.V., P.O. Box 513, NL-5600 MB Eindhoven (Netherlands); Bobbert, P. A.; Janssen, R. A. J.; Coehoorn, R., E-mail: r.coehoorn@tue.nl [Department of Applied Physics and Institute for Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, NL-5600 MB Eindhoven (Netherlands)

    2016-04-28

    We report the results of a systematic study of the interplay of triplet-polaron quenching (TPQ) and triplet-triplet annihilation (TTA) on the efficiency roll-off of organic light-emitting diodes (OLEDs) with increasing current density. First, we focus on OLEDs based on the green phosphorescent emitter tris[2-phenylpyridine]iridium(III) (Ir(ppy){sub 3}) and the red phosphorescent dye platinum octaethylporphyrin. It is found that the experimental data can be reproduced using kinetic Monte Carlo (kMC) simulations within which TPQ and TTA are due to a nearest-neighbor (NN) interaction, or due to a more long-range Förster-type process. Furthermore, we find a subtle interplay between TPQ and TTA: decreasing the contribution of one process can increase the contribution of the other process, so that the roll-off is not significantly reduced. Furthermore, we find that just analyzing the shape of the roll-off is insufficient for determining the relative role of TPQ and TTA. Subsequently, we investigate the wider validity of this picture using kMC simulations for idealized but realistic symmetric OLEDs, with an emissive layer containing a small concentration of phosphorescent dye molecules in a matrix material. Whereas for NN-interactions the roll-off can be reduced when the dye molecules act as shallow hole and electron traps, we find that such an approach becomes counterproductive for long-range TTA and TPQ. Developing well-founded OLED design rules will thus require that more quantitative information is available on the rate and detailed mechanism of the TPQ and TTA processes.

  9. Band structure dynamics in indium wires

    Science.gov (United States)

    Chávez-Cervantes, M.; Krause, R.; Aeschlimann, S.; Gierz, I.

    2018-05-01

    One-dimensional indium wires grown on Si(111) substrates, which are metallic at high temperatures, become insulating below ˜100 K due to the formation of a charge density wave (CDW). The physics of this transition is not conventional and involves a multiband Peierls instability with strong interband coupling. This CDW ground state is readily destroyed with femtosecond laser pulses resulting in a light-induced insulator-to-metal phase transition. The current understanding of this transition remains incomplete, requiring measurements of the transient electronic structure to complement previous investigations of the lattice dynamics. Time- and angle-resolved photoemission spectroscopy with extreme ultraviolet radiation is applied to this end. We find that the transition from the insulating to the metallic band structure occurs within ˜660 fs, which is a fraction of the amplitude mode period. The long lifetime of the transient state (>100 ps) is attributed to trapping in a metastable state in accordance with previous work.

  10. Band magnetism due to f-electrons

    International Nuclear Information System (INIS)

    Brodsky, M.B.; Trainor, R.J.

    1976-01-01

    Specific heat data illustrate several types of itinerant or band magnetism in actinide intermetallic compounds. The results show ferromagnetic spin fluctuations in UAl 2 with T/sub sf/ equals 25K, itinerant antiferromagnetism in NpSn 3 with T/sub N/ equals 9.5K and itinerant ferromagnetism in NpOs 2 with T/sub C/ equals 7.9K. Specific heat studies of dilute U/sub 1-x/Th/sub x/Al 2 show the theoretically predicted modifications due to impurity scattering in a spin fluctuation system. For NpSn 3 it is possible to show the BCS nature of the transition due to the gap formation

  11. Theory of Fermi Liquid with Flat Bands

    Science.gov (United States)

    Khodel, V. A.

    2018-04-01

    A self-consistent theory of Fermi systems hosting flat bands is developed. Compared with an original model of fermion condensation, its key point consists in proper accounting for mixing between condensate and non-condensate degrees of freedom that leads to formation of a non-BCS gap Υ (p) in the single-particle spectrum. The results obtained explain: (1) the two-gap structure of spectra of single-particle excitations of electron systems of copper oxides, revealed in ARPES studies, (2) the role of violation of the topological stability of the Landau state in the arrangement of the T-x phase diagram of this family of high-T_c superconductors, (3) the topological nature of a metal-insulator transition, discovered in homogeneous two-dimensional low-density electron liquid of MOSFETs more than 20 years ago.

  12. 47 CFR 90.531 - Band plan.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Band plan. 90.531 Section 90.531...-805 MHz Bands § 90.531 Band plan. This section sets forth the band plan for the 763-775 MHz and 793... and portables subject to Commission-approved regional planning committee regional plans. Transmitter...

  13. Metaphyseal bands in osteogenesis imperfecta

    Directory of Open Access Journals (Sweden)

    Suresh S

    2010-01-01

    Full Text Available An increasing number of patients with osteogenesis imperfecta are undergoing pamidronate therapy to prevent the incidence of fragility fractures. The authors herein report a child aged 3 years who received five cycles of pamidronate, resulting in metaphyseal bands, known as "zebra lines."

  14. Metaphyseal bands in osteogenesis imperfecta

    International Nuclear Information System (INIS)

    Suresh, SS; Thomas, John K

    2010-01-01

    An increasing number of patients with osteogenesis imperfecta are undergoing pamidronate therapy to prevent the incidence of fragility fractures. The authors herein report a child aged 3 years who received five cycles of pamidronate, resulting in metaphyseal bands, known as “zebra lines.”

  15. Band gap narrowing and fluorescence properties of nickel doped SnO2 nanoparticles

    International Nuclear Information System (INIS)

    Ahmed, Arham S.; Shafeeq, M. Muhamed; Singla, M.L.; Tabassum, Sartaj; Naqvi, Alim H.; Azam, Ameer

    2011-01-01

    Nickel-doped tin oxide nanoparticles (sub-5 nm size) with intense fluorescence emission behavior have been synthesized by sol-gel route. The structural and compositional analysis has been carried out by using XRD, TEM, FESEM and EDAX. The optical absorbance spectra indicate a band gap narrowing effect and it was found to increase with the increase in nickel concentration. The band gap narrowing at low dopant concentration ( 2 -SnO 2-x alloying effect and for higher doping it may be due to the formation of defect sub-bands below the conduction band.

  16. Band gap narrowing and fluorescence properties of nickel doped SnO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Arham S; Shafeeq, M Muhamed [Centre of Excellence in Materials Science (Nanomaterials), Department of Applied Physics, Z. H. College of Engineering and Technology, Aligarh Muslim University, Aligarh-202002 (India); Singla, M L [Central Scientific Instruments Organization (CSIO), Council of Scientific and Industrial Research (CSIR), Materials Research and Bio-Nanotechnology Division, Sector - 30/C, Chandigarh-160030 (India); Tabassum, Sartaj [Department of Chemistry, Aligarh Muslim University, Aligarh-202002 (India); Naqvi, Alim H [Centre of Excellence in Materials Science (Nanomaterials), Department of Applied Physics, Z. H. College of Engineering and Technology, Aligarh Muslim University, Aligarh-202002 (India); Azam, Ameer [Centre of Excellence in Materials Science (Nanomaterials), Department of Applied Physics, Z. H. College of Engineering and Technology, Aligarh Muslim University, Aligarh-202002 (India)

    2011-01-15

    Nickel-doped tin oxide nanoparticles (sub-5 nm size) with intense fluorescence emission behavior have been synthesized by sol-gel route. The structural and compositional analysis has been carried out by using XRD, TEM, FESEM and EDAX. The optical absorbance spectra indicate a band gap narrowing effect and it was found to increase with the increase in nickel concentration. The band gap narrowing at low dopant concentration (<5%) can be assigned to SnO{sub 2}-SnO{sub 2-x} alloying effect and for higher doping it may be due to the formation of defect sub-bands below the conduction band.

  17. Stellar formation

    CERN Document Server

    Reddish, V C

    1978-01-01

    Stellar Formation brings together knowledge about the formation of stars. In seeking to determine the conditions necessary for star formation, this book examines questions such as how, where, and why stars form, and at what rate and with what properties. This text also considers whether the formation of a star is an accident or an integral part of the physical properties of matter. This book consists of 13 chapters divided into two sections and begins with an overview of theories that explain star formation as well as the state of knowledge of star formation in comparison to stellar structure

  18. Development of banded microstructure in 34CrNiMo6 steel

    Directory of Open Access Journals (Sweden)

    A. Nagode

    2016-07-01

    Full Text Available In this paper the development of a banded microstructure in hot-rolled 34CrNiMo6 steel which consisted of bainitic and martensitic bands is explained. The chemical compositions of the bands were measured with energy dispersive x-ray spectroscopy (EDS, which showed that the martensitic bands contained more alloying elements (Mn, Cr, Mo, Si than bainitic bands. By using Oberhoffer reagent, the segregations of phosphorus were also revealed. These phosphorus segregations coincided with the positive segregations of the alloying elements. The continuous cooling transformation (CCT diagrams of steel were calculated. They confirmed the formation of martensite in positive segregations and the formation of bainite in negative segregations.

  19. Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

    International Nuclear Information System (INIS)

    Kozyukhin, S.; Golovchak, R.; Kovalskiy, A.; Shpotyuk, O.; Jain, H.

    2011-01-01

    High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As x Se 100−x , As x S 100−x , Ge x Se 100−x and Ge x S 100−x chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

  20. Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

    Energy Technology Data Exchange (ETDEWEB)

    Kozyukhin, S., E-mail: sergkoz@igic.ras.ru [Russian Academy of Science, Institute of General and Inorganic Chemistry (Russian Federation); Golovchak, R. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Kovalskiy, A. [Lehigh University, Department of Materials Science and Engineering (United States); Shpotyuk, O. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Jain, H. [Lehigh University, Department of Materials Science and Engineering (United States)

    2011-04-15

    High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As{sub x}Se{sub 100-x}, As{sub x}S{sub 100-x}, Ge{sub x}Se{sub 100-x} and Ge{sub x}S{sub 100-x} chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

  1. Clearer, Simpler and more Efficient LAPACK Routines for Symmetric Positive Definite Band Factorization

    DEFF Research Database (Denmark)

    Gustavson, Fred G.; Quintania-Orti, Enrique S.; Quintana-Orti, Gregorio

    We describe a minor format change for representing a symmetric band matrix AB using the same array space specified by LAPACK. In LAPACK, band codes operating on the lower part of a symmetric matrix reference matrix element (i, j) as AB1+i−j,j . The format change we propose allows LAPACK band codes...... to reference the (i, j) element as ABi,j . Doing this yields lower band codes that use standard matrix terminology so that they become clearer and hence easier to understand. As a second contribution, we simplify the LAPACK Cholesky Band Factorization routine pbtrf by reducing from six to three the number...... of subroutine calls one needs to invoke during a right-looking block factorization step. Our new routines perform exactly the same number of floating-point arithmetic operations as the current LAPACK routine pbtrf. Almost always they deliver higher performance. The experimental results show...

  2. Wild Band Edges: The Role of Bandgap Grading and Band-Edge Fluctuations in High-Efficiency Chalcogenide Devices: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Repins, Ingrid; Mansfield, Lorelle; Kanevce, Ana; Jensen, Soren A.; Kuciauskas, Darius; Glynn, Stephen; Barnes, Teresa; Metzger, Wyatt; Burst, James; Jiang, Chun-Sheng; Dippo, Patricia; Harvey, Steve; Teeter, Glenn; Perkins, Craig; Egaas, Brian; Zakutayev, Andriy; Alsmeier, J.-H.; Lussky, T.; Korte, L.; Wilks, R. G.; Bar, M.; Yan, Y.; Lany, Stephan; Zawadzki, Pawel; Park, Ji-Sang; Wei, Suhuai

    2016-06-16

    Band-edge effects -- including grading, electrostatic fluctuations, bandgap fluctuations, and band tails -- affect chalcogenide device efficiency. These effects now require more careful consideration as efficiencies increase beyond 20%. Several aspects of the relationships between band-edge phenomena and device performance for NREL absorbers are examined. For Cu(In,Ga)Se2 devices, recent increases in diffusion length imply changes to optimum bandgap profile. The origin, impact, and modification of electrostatic and bandgap fluctuations are also discussed. The application of the same principles to devices based on CdTe, kesterites, and emerging absorbers (Cu2SnS3, CuSbS2), considering differences in materials properties and defect formation energies, is examined.

  3. Galaxy formation

    International Nuclear Information System (INIS)

    Silk, J.; Di Cintio, A.; Dvorkin, I.

    2014-01-01

    Galaxy formation is at the forefront of observation and theory in cosmology. An improved understanding is essential for improving our knowledge both of the cosmological parameters, of the contents of the universe, and of our origins. In these lectures intended for graduate students, galaxy formation theory is reviewed and confronted with recent observational issues. In lecture 1, the following topics are presented: star formation considerations, including IMF, star formation efficiency and star formation rate, the origin of the galaxy luminosity function, and feedback in dwarf galaxies. In lecture 2, we describe formation of disks and massive spheroids, including the growth of supermassive black holes, negative feedback in spheroids, the AGN-star formation connection, star formation rates at high redshift and the baryon fraction in galaxies.

  4. Mitochondrial Band-7 family proteins: scaffolds for respiratory chain assembly?

    Directory of Open Access Journals (Sweden)

    Bernadette eGehl

    2014-04-01

    Full Text Available The band-7 protein family comprises a diverse set of membrane-bound proteins characterised by the presence of a conserved domain. The exact function of this band-7 domain remains elusive, but examples from animal and bacterial stomatin-type proteins demonstrate binding to lipids and the ability to assemble into membrane-bound oligomers that form putative scaffolds. Some members, such as prohibitins and human stomatin-like protein 2 (HsSLP2, localise to the mitochondrial inner membrane where they function in cristae formation and hyperfusion. In Arabidopsis, the band-7 protein family has diversified and includes plant-specific members. Mitochondrial-localised members include prohibitins (AtPHBs and two stomatin-like proteins (AtSLP1 and -2. Studies into PHB function in plants have demonstrated an involvement in root meristem proliferation and putative scaffold formation for mAAA proteases, but it remains unknown how these roles are achieved at the molecular level. In this minireview we summarise the current status of band-7 protein functions in Arabidopsis, and speculate how the mitochondrial members might recruit specific lipids to form microdomains that could shape the organisation and functioning of the respiratory chain.

  5. Low temperature intermediate band metallic behavior in Ti implanted Si

    Energy Technology Data Exchange (ETDEWEB)

    Olea, Javier, E-mail: oleaariza@fis.ucm.es; Pastor, David; Garcia-Hemme, Eric; Garcia-Hernansanz, Rodrigo; Prado, Alvaro del; Martil, Ignacio; Gonzalez-Diaz, German

    2012-08-31

    Si samples implanted with very high Ti doses and subjected to Pulsed-Laser Melting (PLM) have been electrically analyzed in the scope of a two-layer model previously reported based on the Intermediate Band (IB) theory. Conductivity and Hall effect measurements using the van der Pauw technique suggest that the insulator-metal transition takes place for implantation doses in the 10{sup 14}-10{sup 16} cm{sup -2} range. Results of the sample implanted with the 10{sup 16} cm{sup -2} dose show a metallic behavior at low temperature that is explained by the formation of a p-type IB out of the Ti deep levels. This suggests that the IB would be semi-filled, which is essential for IB photovoltaic devices. - Highlights: Black-Right-Pointing-Pointer We fabricated high dose Ti implanted Si samples for intermediate band research. Black-Right-Pointing-Pointer We measured the electronic transport properties in the 7-300 K range. Black-Right-Pointing-Pointer We show an insulator to metallic transition when the intermediate band is formed. Black-Right-Pointing-Pointer The intermediate band is semi-filled and populated by holes. Black-Right-Pointing-Pointer We satisfactorily explain the electrical behavior by an intermediate band model.

  6. Shear bands as growing instabilities in viscoanelastic media with memory

    Directory of Open Access Journals (Sweden)

    Marina Dolfin

    2013-09-01

    Full Text Available In this paper we investigate the critical conditions under which a small perturbation in an homogeneous continuum can possibly grows into a shear band instability. In particular, we analyze from a thermodynamical viewpoint the phenomenon of shear bands in viscoanelastic media with memory. It is emphasized, in the scientific literature, that the specific adopted rheology strongly affects the results so that a special attention has to be paid, also for engineering purposes, to the accuracy of the rheological model. Several well-known rheological model (for instance the so called Maxwell or Jeffreys media are particular cases of the general model we adopt in the paper to analyze shear bands. Instability conditions, giving rise to shear bands formation, are obtained by introducing small perturbations around an homogeneous deformation into the system of differential equations governing the problem of homogeneous deformations in the considered continuous medium; as a result a non-homogeneous linear dynamical system is obtained whose stability is analyzed. A research perspective in view of a possible comparison with experimental results is proposed; in particular the simple methodology proposed in the paper should be applied in view of using the phenomenon of the initiation of shear bands to calculate the thermomechanical coefficients of real materials.

  7. Identical and shifted identical bands

    International Nuclear Information System (INIS)

    Dodder, R.S; Jones, E.F.; Hamilton, J.H.

    1997-01-01

    Spontaneous fission of 252 Cm was studied with 72 large Compton suppressed Ge detectors in Gamma sphere. New isotopes 160 Sm and 162 Gd were identified. Through X-ray-γ and γ-γ-γ) coincidence measurements, level energies were established to spins 14 + to 20 + in 152 , 154 156 60 Nd 92 94 96 , 156 , 158 , 160 62 Sm 94 , 96 , 98 , and 160 , 162 64 Gd 96 , 98 . These nuclei exhibit a remarkable variety of identical bands and bands where the energies and moments of inertia are shifted by the same constant amount for every spin state from 2 + to 12 + for various combinations of nuclei differing by 2n, 4n, 2p, 4p, and α

  8. Many-polaron theory for superconductivity and charge-density waves in a strongly coupled electron-phonon system with quasi-two-dimensionality: An interpolation between the adiabatic limit and the inverse-adiabatic limit

    International Nuclear Information System (INIS)

    Nasu, K.

    1987-01-01

    The phase diagram of a two-dimensional N-site N-electron system (N>>1) with site-diagonal electron-phonon (e-ph) coupling is studied in the context of polaron theory, so as to clarify the competition between the superconducting (SC) state and the charge-density wave (CDW) state. The Fermi surface of noninteracting electrons is assumed to be a complete circle with no nesting-type instability in the case of weak e-ph coupling, so as to focus on such a strong coupling that even the standard ''strong-coupling theory'' for superconductivity breaks down. Phonon clouds moving with electrons as well as a frozen phonon are taken into account by a variational method, combined with a mean-field theory. It covers the whole region of three basic parameters characterizing the system: the intersite transfer energy of electron T, the e-ph coupling energy S, and the phonon energy ω. The resultant phase diagram is given in a triangular coordinate space spanned by T, S, and ω. In the adiabatic region ω >(T,S) near the ω vertex of the triangle, on the other hand, each electron becomes a small polaron, and the SC state is always more stable than the CDW state, because the retardation effect is absent

  9. Impact of D2O/H2O Solvent Exchange on the Emission of HgTe and CdTe Quantum Dots: Polaron and Energy Transfer Effects.

    Science.gov (United States)

    Wen, Qiannan; Kershaw, Stephen V; Kalytchuk, Sergii; Zhovtiuk, Olga; Reckmeier, Claas; Vasilevskiy, Mikhail I; Rogach, Andrey L

    2016-04-26

    We have studied light emission kinetics and analyzed carrier recombination channels in HgTe quantum dots that were initially grown in H2O. When the solvent is replaced by D2O, the nonradiative recombination rate changes highlight the role of the vibrational degrees of freedom in the medium surrounding the dots, including both solvent and ligands. The contributing energy loss mechanisms have been evaluated by developing quantitative models for the nonradiative recombination via (i) polaron states formed by strong coupling of ligand vibration modes to a surface trap state (nonresonant channel) and (ii) resonant energy transfer to vibration modes in the solvent. We conclude that channel (i) is more important than (ii) for HgTe dots in either solution. When some of these modes are removed from the relevant spectral range by the H2O to D2O replacement, the polaron effect becomes weaker and the nonradiative lifetime increases. Comparisons with CdTe quantum dots (QDs) served as a reference where the resonant energy loss (ii) a priori was not a factor, also confirmed by our experiments. The solvent exchange (H2O to D2O), however, is found to slightly increase the overall quantum yield of CdTe samples, probably by increasing the fraction of bright dots in the ensemble. The fundamental study reported here can serve as the foundation for the design and optimization principles of narrow bandgap quantum dots aimed at applications in long wavelength colloidal materials for infrared light emitting diodes and photodetectors.

  10. Strong Energy-momentum Dispersion of Phonon Dressed Carriers in the Lightly Doped Band Insulator SrTiO3

    International Nuclear Information System (INIS)

    Meevasana, Warawat

    2010-01-01

    Much progress has been made recently in the study of the effects of electron-phonon (el-ph) coupling in doped insulators using angle resolved photoemission (ARPES), yielding evidence for the dominant role of el-ph interactions in underdoped cuprates. As these studies have been limited to doped Mott insulators, the important question arises how this compares with doped band insulators where similar el-ph couplings should be at work. The archetypical case is the perovskite SrTiO 3 (STO), well known for its giant dielectric constant of 10000 at low temperature, exceeding that of La 2 CuO 4 by a factor of 500. Based on this fact, it has been suggested that doped STO should be the archetypical bipolaron superconductor. Here we report an ARPES study from high-quality surfaces of lightly doped SrTiO 3 . Comparing to lightly doped Mott insulators, we find the signatures of only moderate electron-phonon coupling: a dispersion anomaly associated with the low frequency optical phonon with a λ(prime) ∼ 0.3 and an overall bandwidth renormalization suggesting an overall λ(prime) ∼ 0.7 coming from the higher frequency phonons. Further, we find no clear signatures of the large pseudogap or small polaron phenomena. These findings demonstrate that a large dielectric constant itself is not a good indicator of el-ph coupling and highlight the unusually strong effects of the el-ph coupling in doped Mott insulators.

  11. NCenter wide band neutrino beam

    International Nuclear Information System (INIS)

    Stutte, L.G.

    1985-01-01

    This memo describes the physical properties of the currently operating N-Center wide band neutrino beam---commonly called the triplet train, following a past tradition of a triplet lens configuration. In reality, in order to gain a larger momentum acceptance and to minimize the angular divergence of the beam, a quadruplet beam (4 lenses) employing point-to-parallel optics at a central momentum of 300 GeV was built. 6 refs., 13 figs., 1 tab

  12. [Gastric band erosion: Alternative management].

    Science.gov (United States)

    Echaverry-Navarrete, Denis José; Maldonado-Vázquez, Angélica; Cortes-Romano, Pablo; Cabrera-Jardines, Ricardo; Mondragón-Pinzón, Erwin Eduardo; Castillo-González, Federico Armando

    2015-01-01

    Obesity is a public health problem, for which the prevalence has increased worldwide at an alarming rate, affecting 1.7 billion people in the world. To describe the technique employed in incomplete penetration of gastric band where endoscopic management and/or primary closure is not feasible. Laparoscopic removal of gastric band was performed in five patients with incomplete penetrance using Foley catheterization in the perforation site that could lead to the development of a gastro-cutaneous fistula. The cases presented include a leak that required surgical lavage with satisfactory outcome, and one patient developed stenosis 3 years after surgical management, which was resolved endoscopically. In all cases, the penetration site closed spontaneously. Gastric band erosion has been reported in 3.4% of cases. The reason for inserting a catheter is to create a controlled gastro-cutaneous fistula, allowing spontaneous closure. Various techniques have been described: the totally endoscopic, hybrid techniques (endoscopic/laparoscopic) and completely laparoscopic. A technique is described here that is useful and successful in cases where the above-described treatments are not viable. Copyright © 2015. Published by Masson Doyma México S.A.

  13. Single and multi-band electromagnetic induced transparency-like metamaterials with coupled split ring resonators

    Science.gov (United States)

    Bagci, Fulya; Akaoglu, Baris

    2017-08-01

    We present a metamaterial configuration exhibiting single and multi-band electromagnetic induced transparency (EIT)-like properties. The unit cell of the single band EIT-like metamaterial consists of a multi-split ring resonator surrounded by a split ring resonator. The multi-split ring resonator acts as a quasi-dark or dark resonator, depending on the polarization of the incident wave, and the split ring resonator serves as the bright resonator. Combination of these two resonators results in a single band EIT-like transmission inside the stop band. EIT-like transmission phenomenon is also clearly observed in the measured transmission spectrum at almost the same frequencies for vertical and horizontal polarized waves, and the numerical results are verified for normal incidence. Moreover, multi-band transmission windows are created within a wide band by combining the two slightly different single band EIT-like metamaterial unit cells that exhibit two different coupling strengths inside a supercell configuration. Group indices as high as 123 for single band and 488 for tri-band transmission, accompanying with high transmission rates (over 80%), are achieved, rendering the metamaterial very suitable for multi-band slow light applications. It is shown that the group delay of the propagating wave can be increased and dynamically controlled by changing the polarization angle. Multi-band EIT-like transmission is also verified experimentally, and a good agreement with simulations is obtained. The proposed novel methodology for obtaining multi-band EIT, which takes advantage of a supercell configuration by hosting slightly different configured unit cells, can be utilized for easily formation and manipulation of multi-band transmission windows inside a stop band.

  14. Formation of radical cations and dose response of alpha-terthiophene-cellulose triacetate films irradiated by electrons and gamma rays

    CERN Document Server

    Emmi, S S; Ceroni, P; D'Angelantonio, M; Lavalle, M; Fuochi, P G; Kovács, A

    2002-01-01

    The radiation-induced UV-vis spectrum of alpha-terthiophene radical cation in solid is reported. The radical cation initiates an oligomerization in the CTA matrix producing permanently coloured conjugated polarons. The specific net absorbance at 465 nm is linearly related with dose up to 2x10 sup sup 6 sup sup G y, for electrons and gamma irradiation. The decrease of the UV typical absorption (355 nm) and of four IR bands of alpha-terthiophene is linear with dose, as well. Although sensitivity is influenced by dose rate, it turned out that a linear relationship holds between sensitivity and log dose rate, in the range from 2 to 10 sup sup 5 Gy, min. These findings suggest a potential application of the system for dosimetric purposes over a wide range of dose and dose rate.

  15. Band gaps in periodically magnetized homogeneous anisotropic media

    Science.gov (United States)

    Merzlikin, A. M.; Levy, M.; Vinogradov, A. P.; Wu, Z.; Jalali, A. A.

    2010-11-01

    In [A. M. Merzlikin, A. P. Vinogradov, A. V. Dorofeenko, M. Inoue, M. Levy, A. B. Granovsky, Physica B 394 (2007) 277] it is shown that in anisotropic magnetophotonic crystal made of anisotropic dielectric layers and isotropic magneto-optical layers the magnetization leads to formation of additional band gaps (BG) inside the Brillouin zones. Due to the weakness of the magneto-optical effects the width of these BG is much smaller than that of usual BG forming on the boundaries of Brillouin zones. In the present communication we show that though the anisotropy suppresses magneto-optical effects. An anisotropic magnetophotonic crystal made of anisotropic dielectric layers and anisotropic magneto-optical; the width of additional BG may be much greater than the width of the usual Brillouin BG. Anisotropy tends to suppress Brillouin zone boundary band gap formation because the anisotropy suppresses magneto-optical properties, while degenerate band gap formation occurs around points of effective isotropy and is not suppressed.

  16. Superconductivity in narrow-band systems with local nonretarded attractive interactions

    International Nuclear Information System (INIS)

    Micnas, R.; Ranninger, J.; Robaszkiewicz, S.

    1990-01-01

    In narrow-band systems electrons can interact with each other via a short-range nonretarded attractive potential. The origin of such an effective local attraction can be polaronic or it can be due to a coupling between electrons and excitons or plasmons. It can also result from purely chemical (electronic) mechanisms, especially in compounds with elements favoring disproportionation of valent states. These mechanisms are discussed and an exhaustive list of materials in which such local electron pairing occurs is given. The authors review the thermodynamic and electromagnetic properties of such systems in several limiting scenarios: (i) Systems with on-site pairing which can be described by the extended negative-U Hubbard model. The strong-attraction limit of this model, at which it reduces to a system of tightly bound electron pairs (bipolarons) on a lattice, is extensively discussed. These electron pairs behaving as hard-core charged bosons can exhibit a superconducting state analogous to that of superfluid 4 He II. The changeover from weak-attraction BCS-like superconductivity to the superfluidity of charged hard-core bosons is examined. (ii) Systems with intersite pairing described by an extended Hubbard model with U>0 and nearest-neighbor attraction and/or nearest-neighbor spin exchange as well as correlated hopping. (iii) A mixture of local pairs and itinerant electrons interacting via a charge-exchange mechanism giving rise to a mutually induced superconductivity in both subsystems. The authors discuss to what extent the picture of local pairing, and in particular superfluidity of hard-core charged bosons on a lattice, can be an explanation for the superconducting and normal-state properties of the high-T c oxides: doped BaBiO 3 and the cuprates

  17. More on Estimation of Banded and Banded Toeplitz Covariance Matrices

    OpenAIRE

    Berntsson, Fredrik; Ohlson, Martin

    2017-01-01

    In this paper we consider two different linear covariance structures, e.g., banded and bended Toeplitz, and how to estimate them using different methods, e.g., by minimizing different norms. One way to estimate the parameters in a linear covariance structure is to use tapering, which has been shown to be the solution to a universal least squares problem. We know that tapering not always guarantee the positive definite constraints on the estimated covariance matrix and may not be a suitable me...

  18. High macro rubber band ligature

    Directory of Open Access Journals (Sweden)

    José A. Reis Neto

    2013-07-01

    Full Text Available Purpose: The goal of a rubber band ligature is to promote fibrosis of the submucosa with subsequent fixation of the anal epithelium to the underlying sphincter. Following this principle, a new technique of ligature was developed based on two aspects: 1. macro banding: to have a better fibrosis and fixation by banding a bigger volume of mucosa and 2. higher ligature: to have this fixation at the origin of the hemorrhoidal cushion displacement. Methods: 1634 patients with internal hemorrhoidal disease grade II or III were treated by the technique called high macro rubber band. There was no distinction as to age, gender or race. To perform this technique a new hemorrhoidal device was specially designed with a larger diameter and a bigger capacity for mucosal volume aspiration. It is recommended to utilize a longer and wider anoscope to obtain a better view of the anal canal, which will facilitate the injection of submucosa higher in the anal canal and the insertion of the rubber band device. The hemorrhoidal cushion must be banded higher in the anal canal (4 cm above the pectinate line. It is preferable to treat all the hemorrhoids in one single session (maximum of three areas banded. Results: The analysis was retrospective without any comparison with conventional banding. The period of evaluation extended from one to twelve years. The analysis of the results showed perianal edema in 1.6% of the patients, immediate tenesmus in 0.8%, intense pain (need for parenteral analgesia in 1.6%, urinary retention in 0.1% of the patients and a symptomatic recurrence rate of 4.2%. All patients with symptomatic recurrence were treated with a new session of macro rubber banding. None of the patients developed anal or rectal sepsis. Small post-ligature bleeding was observed only in 0.8% of the patients. Conclusions: The high macro rubber banding technique represents an alternative method for the treatment of hemorrhoidal disease grades II or III, with good

  19. Deformation bands in porous sandstones their microstructure and petrophysical properties

    Energy Technology Data Exchange (ETDEWEB)

    Torabi, Anita

    2007-12-15

    Deformation bands are commonly thin tabular zones of crushed or reorganized grains that form in highly porous rocks and sediments. Unlike a fault, typically the slip is negligible in deformation bands. In this dissertation the microstructure and petrophysical properties of deformation bands have been investigated through microscopy and numerical analysis of experimental and natural examples. The experimental work consists of a series of ring-shear experiments performed on porous sand at 5 and 20 MPa normal stresses and followed by microscopic examination of thin sections from the sheared samples. The results of the ring-shear experiments and comparison of them to natural deformation bands reveals that burial depth (level of normal stress in the experiments) and the amount of shear displacement during deformation are the two significant factors influencing the mode in which grains break and the type of shear zone that forms. Two end-member types of experimental shear zones were identified: (a) Shear zones with diffuse boundaries, which formed at low levels of normal stress and/or shear displacement; and (b) Shear zones with sharp boundaries, which formed at higher levels of normal stress and/or shear displacement. Our interpretation is that with increasing burial depth (approximately more than one kilometer, simulated in the experiments by higher levels of normal stress), the predominant mode of grain fracturing changes from flaking to splitting; which facilitates the formation of sharp-boundary shear zones. This change to grain splitting increases the power law dimension of the grain size distribution (D is about 1.5 in sharp boundary shear zones). Based on our observations, initial grain size has no influence in the deformation behavior of the sand at 5 MPa normal stresses. A new type of cataclastic deformation band is described through outcrop and microscopic studies; here termed a 'slipped deformation band'. Whereas previously reported cataclastic

  20. Band Subset Selection for Hyperspectral Image Classification

    Directory of Open Access Journals (Sweden)

    Chunyan Yu

    2018-01-01

    Full Text Available This paper develops a new approach to band subset selection (BSS for hyperspectral image classification (HSIC which selects multiple bands simultaneously as a band subset, referred to as simultaneous multiple band selection (SMMBS, rather than one band at a time sequentially, referred to as sequential multiple band selection (SQMBS, as most traditional band selection methods do. In doing so, a criterion is particularly developed for BSS that can be used for HSIC. It is a linearly constrained minimum variance (LCMV derived from adaptive beamforming in array signal processing which can be used to model misclassification errors as the minimum variance. To avoid an exhaustive search for all possible band subsets, two numerical algorithms, referred to as sequential (SQ and successive (SC algorithms are also developed for LCMV-based SMMBS, called SQ LCMV-BSS and SC LCMV-BSS. Experimental results demonstrate that LCMV-based BSS has advantages over SQMBS.

  1. The DSS-14 C-band exciter

    Science.gov (United States)

    Rowan, D. R.

    1989-01-01

    The development and implementation of a C-band exciter for use with the Block IV Receiver-Exciter Subsystem at Deep Space Station 14 (DSS-14) has been completed. The exciter supplements the standard capabilities of the Block IV system by providing a drive signal for the C-band transmitter while generating coherent translation frequencies for C-band (5-GHz) to S-band (2.2- to 2.3-GHz) Doppler extraction, C-band to L-band (1.6-GHz) zero delay measurements, and a level calibrated L-band test signal. Exciter functions are described, and a general explanation and description of the C-band uplink controller is presented.

  2. Characterization of adiabatic shear bands in the zirconium alloy impacted by split Hopkinson pressure bar at a strain rate of 6000 s−1

    International Nuclear Information System (INIS)

    Zou, D.L.; Luan, B.F.; Liu, Q.; Chai, L.J.; Chen, J.W.

    2012-01-01

    The adiabatic shear bands formed in the zirconium alloy impacted by split Hopkinson pressure bar at a strain rate of about 6000 s −1 were characterized systemically by means of a high resolution field emission scanning electron microscope equipped with electron backscatter diffraction probe. The results show that the transformed bands were distinguished on the cross-section view of the impacted specimens, and the ultrafine and equiaxed grains formed in the transformed bands were confirmed. The gradient variation of the grains across the transformed bands from the boundary to the center of the bands was observed, and the grains at the center of the transformed bands were finer than other zones. Based on the characterization of the deformed microstructure adjacent to the transformed bands, the formation mechanism of the ultrafine and equiaxed grains in the transformed bands was revealed, and the rotational dynamic recrystallization mechanism should be responsible for the formation of the ultrafine and equiaxed grains in the transformed bands. According to the collection of the cumulative misorientation at different strain levels, the formation and evolution process of the ultrafine and equiaxed grains in the transformed bands were speculated. The microhardness measurements show that high microhardness value in the transformed bands was obtained because of the grain refining, and the large standard deviation of the microhardness at the center of the transformed bands was confirmed due to the gradient microstructural distribution in the bands.

  3. Study of rotational band in 111Sn

    International Nuclear Information System (INIS)

    Ganguly, S.; Banerjee, P.; Ray, I.; Kshetri, R.; Raut, R.; Goswami, A.; Saha Sarkar, M.; Bhattacharya, S.; Mukherjee, A.; Mukherjee, G.; Basu, S.K.; Mukhopadhyay, S.

    2006-01-01

    The motivation of the present work is to study the negative-parity rotational band in 111 Sn. Study of the lifetimes of the states of the rotational band is expected to provide information on their structures as well as the band termination phenomenon

  4. Prenatal diagnosis of amniotic band syndrome

    Directory of Open Access Journals (Sweden)

    Laxmi Devi Padmanabhan

    2016-01-01

    Full Text Available Amniotic band can cause a broad spectrum of anomalies ranging from simple band constrictions to major craniofacial and visceral defects. It can cause significant neonatal morbidity. Accurate diagnosis will help in the management of the present pregnancy and in counseling with regard to future pregnancies. Here we report three cases of amniotic band syndrome detected in the prenatal period.

  5. Complex band structure and electronic transmission eigenchannels

    DEFF Research Database (Denmark)

    Jensen, Anders; Strange, Mikkel; Smidstrup, Soren

    2017-01-01

    and complex band structure, in this case individual eigenchannel transmissions and different complex bands. We present calculations of decay constants for the two most conductive states as determined by complex band structure and standard DFT Landauer transport calculations for one semi-conductor and two...

  6. High-energy band structure of gold

    DEFF Research Database (Denmark)

    Christensen, N. Egede

    1976-01-01

    The band structure of gold for energies far above the Fermi level has been calculated using the relativistic augmented-plane-wave method. The calculated f-band edge (Γ6-) lies 15.6 eV above the Fermi level is agreement with recent photoemission work. The band model is applied to interpret...

  7. Multi-band Modelling of Appearance

    DEFF Research Database (Denmark)

    Stegmann, Mikkel Bille; Larsen, Rasmus

    2003-01-01

    the appearance of both derived feature bands and an intensity band. As a special case of feature-band augmented appearance modelling we propose a dedicated representation with applications to face segmentation. The representation addresses a major problem within face recognition by lowering the sensitivity...

  8. Multi-band Modelling of Appearance

    DEFF Research Database (Denmark)

    Stegmann, Mikkel Bille; Larsen, Rasmus

    2002-01-01

    the appearance of both derived feature bands and an intensity band. As a special case of feature-band augmented appearance modelling we propose a dedicated representation with applications to face segmentation. The representation addresses a major problem within face recognition by lowering the sensitivity...

  9. L-band brightness temperature disaggregation for use with S-band and C-band radiometer data for WCOM

    Science.gov (United States)

    Yao, P.; Shi, J.; Zhao, T.; Cosh, M. H.; Bindlish, R.

    2017-12-01

    There are two passive microwave sensors onboard the Water Cycle Observation Mission (WCOM), which includes a synthetic aperture radiometer operating at L-S-C bands and a scanning microwave radiometer operating from C- to W-bands. It provides a unique opportunity to disaggregate L-band brightness temperature (soil moisture) with S-band C-bands radiometer data. In this study, passive-only downscaling methodologies are developed and evaluated. Based on the radiative transfer modeling, it was found that the TBs (brightness temperature) between the L-band and S-band exhibit a linear relationship, and there is an exponential relationship between L-band and C-band. We carried out the downscaling results by two methods: (1) downscaling with L-S-C band passive measurements with the same incidence angle from payload IMI; (2) downscaling with L-C band passive measurements with different incidence angle from payloads IMI and PMI. The downscaling method with L-S bands with the same incident angle was first evaluated using SMEX02 data. The RMSE are 2.69 K and 1.52 K for H and V polarization respectively. The downscaling method with L-C bands is developed with different incident angles using SMEX03 data. The RMSE are 2.97 K and 2.68 K for H and V polarization respectively. These results showed that high-resolution L-band brightness temperature and soil moisture products could be generated from the future WCOM passive-only observations.

  10. Thematic mapper studies band correlation analysis

    Science.gov (United States)

    Ungar, S. G.; Kiang, R.

    1976-01-01

    Spectral data representative of thematic mapper candidate bands 1 and 3 to 7 were obtained by selecting appropriate combinations of bands from the JSC 24 channel multispectral scanner. Of all the bands assigned, only candidate bands 4 (.74 mu to .80 mu) and 5 (.80 mu to .91 mu) showed consistently high intercorrelation from region to region and time to time. This extremely high correlation persisted when looking at the composite data set in a multitemporal, multilocation domain. The GISS investigations lend positive confirmation to the hypothesis, that TM bands 4 and 5 are redundant.

  11. Dust bands in the asteroid belt

    International Nuclear Information System (INIS)

    Sykes, M.V.; Greenberg, R.; Dermott, S.F.; Nicholson, P.D.; Burns, J.A.

    1989-01-01

    This paper describes the original IRAS observations leading to the discovery of the three dust bands in the asteroid belt and the analysis of data. Special attention is given to an analytical model of the dust band torus and to theories concerning the origin of the dust bands, with special attention given to the collisional equilibrium (asteroid family), the nonequilibrium (random collision), and the comet hypotheses of dust-band origin. It is noted that neither the equilibrium nor nonequilibrium models, as currently formulated, present a complete picture of the IRAS dust-band observations. 32 refs

  12. Band-engineering of TiO2 as a wide-band gap semiconductor using organic chromophore dyes

    Science.gov (United States)

    Wahyuningsih, S.; Kartini, I.; Ramelan, A. H.; Saputri, L. N. M. Z.; Munawaroh, H.

    2017-07-01

    Bond-engineering as applied to semiconductor materials refers to the manipulation of the energy bands in order to control charge transfer processes in a device. When the device in question is a photoelectrochemical cell, the charges affected by drift become the focus of the study. The ideal band gap of semiconductors for enhancement of photocatalyst activity can be lowered to match with visible light absorption and the location of conduction Band (CB) should be raised to meet the reducing capacity. Otherwise, by the addition of the chromofor organic dyes, the wide-band gab can be influences by interacation resulting between TiO2 surface and the dyes. We have done the impruvisation wide-band gap of TiO2 by the addition of organic chromophore dye, and the addition of transition metal dopand. The TiO2 morphology influence the light absorption as well as the surface modification. The organic chromophore dye was syntesized by formation complexes compound of Co(PAR)(SiPA)(PAR)= 4-(2-piridylazoresorcinol), SiPA = Silyl propil amine). The result showed that the chromophore groups adsorbed onto TiO2 surface can increase the visible light absorption of wide-band gab semiconductor. Initial absorption of a chromophore will affect light penetration into the material surfaces. The use of photonic material as a solar cell shows this phenomenon clearly from the IPCE (incident photon to current conversion efficiency) measurement data. Organic chromophore dyes of Co(PAR)(SiPA) exhibited the long wavelength absorption character compared to the N719 dye (from Dyesol).

  13. A Printed Monopole Antenna for Triple-Band WLAN/WiMAX Applications

    Directory of Open Access Journals (Sweden)

    Huiqing Zhai

    2015-01-01

    Full Text Available A new compact design of monopole antenna for triple-band WLAN/WiMAX applications with two band-notches based on broadband antenna is presented. By introducing a stub loaded ground and two new paper clip structures etched on radiation patch, a compact overall dimension 31 mm × 33 mm × 1 mm and three separated operating bands effectively covering 2.4/5.2/5.8 GHz WLAN bands and 2.5/3.5/5.5 GHz WiMAX bands can be achieved. Compared with familiar U type slot, the introduced compact paper clip structure can save about 37% of dimension regions, which could effectively improve efficiency of band-notch formation. Simulated and measured results demonstrate that the proposed antenna has good dipole-like radiation characteristics with appreciable gain across the operating bands. Besides, main parameters of the two etched paper clip structures are investigated to control the positions and bandwidths of the two stop-bands, respectively, on basis of which the three working bands can be adjusted independently.

  14. Table of members of quasi-bands

    International Nuclear Information System (INIS)

    Sakai, Mitsuo.

    1984-04-01

    The probable members of the quasi-bands in even-even nuclei for Z between 6 and 100 are listed in this table. The terms quasi-bands have been introduced in the so-called spherical regions as the counter parts of the collective bands in the deformed regions. In the present compilation, the data for deformed nuclei are classified for convenience under the same titles, Quasi-Ground Band, Quasi-Beta Band and Quasi-Gamma Band, as are used for other nuclear regions. The present edition covers the literature through September, 1983. Fifteen newly discovered nuclides are included. The classification of energy level into quasi-bands is made on the basis of the systematic trend in the data over large groups of nuclei. (Kato, T.)

  15. A Novel Ku-Band/Ka-Band and Ka-Band/E-Band Multimode Waveguide Couplers for Power Measurement of Traveling-Wave Tube Amplifier Harmonic Frequencies

    Science.gov (United States)

    Wintucky, Edwin G.; Simons, Rainee N.

    2015-01-01

    This paper presents the design, fabrication and test results for a novel waveguide multimode directional coupler (MDC). The coupler, fabricated from two dissimilar frequency band waveguides, is capable of isolating power at the second harmonic frequency from the fundamental power at the output port of a traveling-wave tube (TWT) amplifier. Test results from proof-of-concept demonstrations are presented for a Ku-band/Ka-band MDC and a Ka-band/E-band MDC. In addition to power measurements at harmonic frequencies, a potential application of the MDC is in the design of a satellite borne beacon source for atmospheric propagation studies at millimeter-wave (mm-wave) frequencies (Ka-band and E-band).

  16. Dual-band frequency selective surface with large band separation and stable performance

    Science.gov (United States)

    Zhou, Hang; Qu, Shao-Bo; Peng, Wei-Dong; Lin, Bao-Qin; Wang, Jia-Fu; Ma, Hua; Zhang, Jie-Qiu; Bai, Peng; Wang, Xu-Hua; Xu, Zhuo

    2012-05-01

    A new technique of designing a dual-band frequency selective surface with large band separation is presented. This technique is based on a delicately designed topology of L- and Ku-band microwave filters. The two band-pass responses are generated by a capacitively-loaded square-loop frequency selective surface and an aperture-coupled frequency selective surface, respectively. A Faraday cage is located between the two frequency selective surface structures to eliminate undesired couplings. Based on this technique, a dual-band frequency selective surface with large band separation is designed, which possesses large band separation, high selectivity, and stable performance under various incident angles and different polarizations.

  17. The brittle-viscous-plastic evolution of shear bands in the South Armorican Shear Zone

    Science.gov (United States)

    Bukovská, Zita; Jeřábek, Petr; Morales, Luiz F. G.; Lexa, Ondrej; Milke, Ralf

    2014-05-01

    Shear bands are microscale shear zones that obliquely crosscut an existing anisotropy such as a foliation. The resulting S-C fabrics are characterized by angles lower than 45° and the C plane parallel to shear zone boundaries. The S-C fabrics typically occur in granitoids deformed at greenschist facies conditions in the vicinity of major shear zones. Despite their long recognition, mechanical reasons for localization of deformation into shear bands and their evolution is still poorly understood. In this work we focus on microscale characterization of the shear bands in the South Armorican Shear Zone, where the S-C fabrics were first recognized by Berthé et al. (1979). The initiation of shear bands in the right-lateral South Armorican Shear Zone is associated with the occurrence of microcracks crosscutting the recrystallized quartz aggregates that define the S fabric. In more advanced stages of shear band evolution, newly formed dominant K-feldspar, together with plagioclase, muscovite and chlorite occur in the microcracks, and the shear bands start to widen. K-feldspar replaces quartz by progressively bulging into the grain boundaries of recrystallized quartz grains, leading to disintegration of quartz aggregates and formation of fine-grained multiphase matrix mixture. The late stages of shear band development are marked by interconnection of fine-grained white mica into a band that crosscuts the original shear band matrix. In its extremity, the shear band widening may lead to the formation of ultramylonites. With the increasing proportion of shear band matrix from ~1% to ~12%, the angular relationship between S and C fabrics increases from ~30° to ~40°. The matrix phases within shear bands show differences in chemical composition related to distinct evolutionary stages of shear band formation. The chemical evolution is well documented in K-feldspar, where the albite component is highest in porphyroclasts within S fabric, lower in the newly formed grains within

  18. Deformation-Induced Microstructural Banding in TRIP Steels

    Science.gov (United States)

    Celotto, S.; Ghadbeigi, H.; Pinna, C.; Shollock, B. A.; Efthymiadis, P.

    2018-05-01

    Microstructure inhomogeneities can strongly influence the mechanical properties of advanced high-strength steels in a detrimental manner. This study of a transformation-induced plasticity (TRIP) steel investigates the effect of pre-existing contiguous grain boundary networks (CGBNs) of hard second-phases and shows how these develop into bands during tensile testing using in situ observations in conjunction with digital image correlation (DIC). The bands form by the lateral contraction of the soft ferrite matrix, which rotates and displaces the CGBNs of second-phases and the individual features within them to become aligned with the loading direction. The more extensive pre-existing CGBNs that were before the deformation already aligned with the loading direction are the most critical microstructural feature for damage initiation and propagation. They induce micro-void formation between the hard second-phases along them, which coalesce and develop into long macroscopic fissures. The hard phases, retained austenite and martensite, were not differentiated as it was found that the individual phases do not play a role in the formation of these bands. It is suggested that minimizing the presence of CGBNs of hard second-phases in the initial microstructure will increase the formability.

  19. Band structure studies of actinide systems

    International Nuclear Information System (INIS)

    Koelling, D.D.

    1976-01-01

    The nature of the f-orbitals in an actinide system plays a crucial role in determining the electronic properties. It has long been realized that when the actinide separation is small enough for the f-orbitals to interact directly, the system will exhibit itinerant electron properties: an absence of local moment due to the f-orbitals and sometimes even superconductivity. However, a number of systems with the larger actinide separation that should imply local moment behavior also exhibit intinerant properties. Such systems (URh 3 , UIr 3 , UGe 3 , UC) were examined to learn something about the other f-interactions. A preliminary observation made is that there is apparently a very large and ansiotropic mass enhancement in these systems. There is very good reason to believe that this is not solely due to large electron--electron correlations but to a large electron--phonon interaction as well. These features of the ''non-magnetic'', large actinide separation systems are discussed in light of our results to date. Finally, the results of some recent molecular calculations on actinide hexafluorides are used to illustrate the shielding effects on the intra-atomic Coulomb term U/sub f-f/ which would appear in any attempt to study the formation of local moments. As one becomes interested in materials for which a band structure is no longer an adequate model, this screened U/sub ff/ is the significant parameter and efforts must be made to evaluate it in solid state systems

  20. Photonic band gap structure simulator

    Science.gov (United States)

    Chen, Chiping; Shapiro, Michael A.; Smirnova, Evgenya I.; Temkin, Richard J.; Sirigiri, Jagadishwar R.

    2006-10-03

    A system and method for designing photonic band gap structures. The system and method provide a user with the capability to produce a model of a two-dimensional array of conductors corresponding to a unit cell. The model involves a linear equation. Boundary conditions representative of conditions at the boundary of the unit cell are applied to a solution of the Helmholtz equation defined for the unit cell. The linear equation can be approximated by a Hermitian matrix. An eigenvalue of the Helmholtz equation is calculated. One computation approach involves calculating finite differences. The model can include a symmetry element, such as a center of inversion, a rotation axis, and a mirror plane. A graphical user interface is provided for the user's convenience. A display is provided to display to a user the calculated eigenvalue, corresponding to a photonic energy level in the Brilloin zone of the unit cell.

  1. Broad-band beam buncher

    International Nuclear Information System (INIS)

    Goldberg, D.A.; Flood, W.S.; Arthur, A.A.; Voelker, F.

    1986-01-01

    This patent describes a broad-band beam buncher. This beam buncher consists of: a housing adapted to be eacuated, an electron gun in the housing for producing a beam of electrons, buncher means in the housing forming a buncher cavity which has an entrance opening for receiving the electron beam and an exit opening through which the electron beam passes out of the buncher cavity, a drift tube electrode in the buncher cavity and disposed between the entrance opening and the exit opening with first and second gaps between the drift tube electrode and the entrance and exit openings, the drift tube electrode which has a first drift space through which the electron beam passes in traveling between the entrance and exit openings, modulating means for supplying an ultrahigh frequeny modulating signal to the drift tube electrode for producing velocity modulation of the electrons in the electron beam as the electrons pass through the buncher cavity and the drift tube electrode between the entrance opening and the exit opening, drift space means in the housing forming a second drift space for receiving the velocity modulated electron beam from the exit opening, the velocity modulated electron beam being bunched as it passes along the second drift space, the drift space means has a discharge opening through which the electron beam is discharged from the second drift space after being bunched therein, the modulating means containing a signal source for producing an ultrahigh frequency signal, a transmission line connected between the signal source and the drift tube electrode, and terminating means connected to the drift tube electrode for terminating the transmission line in approximately its characteristic impedance to afford a broad response band with minimum 6 variations therein

  2. Optical properties of chalcopyrite-type intermediate transition metal band materials from first principles

    International Nuclear Information System (INIS)

    Aguilera, I.; Palacios, P.; Wahnon, P.

    2008-01-01

    The optical properties of a novel potential high-efficiency photovoltaic material have been studied. This material is based on a chalcopyrite-type semiconductor (CuGaS 2 ) with some Ga atom substituted by Ti and is characterized by the formation of an isolated transition-metal band between the valence band and the conduction band. We present a study in which ab-initio density functional theory calculations within the generalized gradient approximation are carried out to determine the optical reflectivity and absorption coefficient of the materials of interest. Calculations for the host semiconductor are in good agreement with experimental results within the limitations of the approach. We find, as desired, that because of the intermediate band, the new Ti-substituted material would be able to absorb photons of energy lower than the band-gap of the host chalcopyrite. We also analyze the partial contributions to the main peaks of its spectrum

  3. Self-assembly of colloidal bands driven by a periodic external field

    Energy Technology Data Exchange (ETDEWEB)

    Nunes, André S.; Araújo, Nuno A. M., E-mail: nmaraujo@fc.ul.pt; Telo da Gama, Margarida M. [Departamento de Física, Faculdade de Ciências, Universidade de Lisboa, P-1749-016 Lisboa, Portugal and Centro de Física Teórica e Computacional, Universidade de Lisboa, P-1749-016 Lisboa (Portugal)

    2016-01-21

    We study the formation of bands of colloidal particles driven by periodic external fields. Using Brownian dynamics, we determine the dependence of the band width on the strength of the particle interactions and on the intensity and periodicity of the field. We also investigate the switching (field-on) dynamics and the relaxation times as a function of the system parameters. The observed scaling relations were analyzed using a simple dynamic density-functional theory of fluids.

  4. Disentangling overlapping high-field EPR spectra of organic radicals: Identification of light-induced polarons in the record fullerene-free solar cell blend PBDB-T:ITIC

    Science.gov (United States)

    Van Landeghem, Melissa; Maes, Wouter; Goovaerts, Etienne; Van Doorslaer, Sabine

    2018-03-01

    We present a combined high-field EPR and DFT study of light-induced radicals in the bulk heterojunction blend of PBDB-T:ITIC, currently one of the highest efficiency non-fullerene donor:acceptor combinations in organic photovoltaics. We demonstrate two different approaches for disentangling the strongly overlapping high-field EPR spectra of the positive and negative polarons after charge separation: (1) relaxation-filtered field-swept EPR based on the difference in T1 spin-relaxation times and (2) field-swept EDNMR-induced EPR by exploiting the presence of 14N hyperfine couplings in only one of the radical species, the small molecule acceptor radical. The approach is validated by light-induced EPR spectra on related blends and the spectral assignment is underpinned by DFT computations. The broader applicability of the spectral disentangling methods is discussed.

  5. Disentangling overlapping high-field EPR spectra of organic radicals: Identification of light-induced polarons in the record fullerene-free solar cell blend PBDB-T:ITIC.

    Science.gov (United States)

    Van Landeghem, Melissa; Maes, Wouter; Goovaerts, Etienne; Van Doorslaer, Sabine

    2018-03-01

    We present a combined high-field EPR and DFT study of light-induced radicals in the bulk heterojunction blend of PBDB-T:ITIC, currently one of the highest efficiency non-fullerene donor:acceptor combinations in organic photovoltaics. We demonstrate two different approaches for disentangling the strongly overlapping high-field EPR spectra of the positive and negative polarons after charge separation: (1) relaxation-filtered field-swept EPR based on the difference in T 1 spin-relaxation times and (2) field-swept EDNMR-induced EPR by exploiting the presence of 14 N hyperfine couplings in only one of the radical species, the small molecule acceptor radical. The approach is validated by light-induced EPR spectra on related blends and the spectral assignment is underpinned by DFT computations. The broader applicability of the spectral disentangling methods is discussed. Copyright © 2018 Elsevier Inc. All rights reserved.

  6. Band 3 in aging and neurological disease.

    Science.gov (United States)

    Kay, M M

    1991-01-01

    Senescent cell antigen appears on old cells and marks them for death by initiating the binding of IgG autoantibody and subsequent removal by phagocytes in mammals and other vertebrates. We have created a synthetic aging antigen that blocks binding of IgG to senescent cells in vitro. Synthetic senescent cell antigen might be effective in preventing cellular destruction in vivo in certain diseases, and can be used to manipulate cellular life span in situ. Senescent cell antigen is generated by the modification of an important structural and transport membrane molecule, protein band 3. Band 3 is present in cellular, nuclear, Golgi, and mitochondrial membranes as well as in cell membranes. Band 3 proteins in nucleated cells participate in cell surface patching and capping. Band 3 maintains acid-base balance by mediating the exchange of anions (e.g., chloride, bicarbonate), and is the binding site for glycolytic enzymes. It is responsible for CO2 exchange in all tissues and organs. Thus, it is the most heavily used anion transport system in the body. Band 3 is a major transmembrane structural protein which attaches the plasma membrane to the internal cell cytoskeleton by binding to band 2.1 (ankyrin). Oxidation generates senescent cell antigen in situ. Band 3 is present in the central nervous system, and differences have been described in band 3 between young and aging brain tissue. One autosomal recessive neurological disease, choreoacanthocytosis, is associated with band 3 abnormalities. The 150 residues of the carboxyl terminus segment of band 3 appear to be altered. In brains from Alzheimer's disease patients, antibodies to aged band 3 label the amyloid core of classical plaques and the microglial cells located in the middle of the plaque in tissue sections, and an abnormal band 3 in immunoblots. Band 3 protein(s) in mammalian brain performs the same functions as that of erythroid band 3. These functions is anion transport, ankyrin binding, and generation of

  7. Polarimetric and Structural Properties of a Boreal Forest at P-Band and L-Band

    Science.gov (United States)

    Tebaldini, S.; Rocca, F.

    2010-12-01

    With this paper we investigate the structural and polarimetric of the boreal forest within the Krycklan river catchment, Northern Sweden, basing on multi-polarimetric and multi-baseline SAR surveys at P-Band and L-Band collected in the framework of the ESA campaign BioSAR 2008. The analysis has been carried out by applying the Algebraic Synthesis (AS) technique, recently introduced in literature, which provides a theoretical framework for the decomposition of the backscattered signal into ground-only and volume-only contributions, basing on both baseline and polarization diversity. The availability of multiple baselines allows the formation of a synthetic aperture not only along the azimuth direction but also in elevation. Accordingly, the backscattered echoes can be focused not only in the slant range, azimuth plane, but in the whole 3D space. This is the rationale of the SAR Tomography (T-SAR) concept, which has been widely considered in the literature of the last years. It follows that, as long as the penetration in the scattering volume is guaranteed, the vertical profile of the vegetation layer is retrieved by separating backscatter contributions along the vertical direction, which is the main reason for the exploitation of Tomographic techniques at longer wavelengths. Still, the capabilities of T-SAR are limited to imaging the global vertical structure of the electromagnetic scattering in a certain polarization. It then becomes important to develop methodologies for the investigation of the vertical structure of different Scattering Mechanisms (SMs), such as ground and volume scattering, in such a way as to derive information that can be delivered also outside the field of Radar processing. This is an issue that may become relevant at longer wavelengths, such as P-Band, where the presence of multiple scattering arising from the interaction with terrain could hinder the correct reconstruction of the forest structure. The availability of multiple polarizations

  8. Formative (measurement)

    NARCIS (Netherlands)

    Fassott, G.; Henseler, Jörg; Cooper, C.; Lee, N.; Farrell, A.

    2015-01-01

    When using measurement models with multiple indicators, researchers need to decide about the epistemic relationship between the latent variable and its indicators. In this article, we describe the nature, the estimation, the characteristics, and the validity assessment of formative measurement

  9. The dynamics of a shear band

    Science.gov (United States)

    Giarola, Diana; Capuani, Domenico; Bigoni, Davide

    2018-03-01

    A shear band of finite length, formed inside a ductile material at a certain stage of a continued homogeneous strain, provides a dynamic perturbation to an incident wave field, which strongly influences the dynamics of the material and affects its path to failure. The investigation of this perturbation is presented for a ductile metal, with reference to the incremental mechanics of a material obeying the J2-deformation theory of plasticity (a special form of prestressed, elastic, anisotropic, and incompressible solid). The treatment originates from the derivation of integral representations relating the incremental mechanical fields at every point of the medium to the incremental displacement jump across the shear band faces, generated by an impinging wave. The boundary integral equations (under the plane strain assumption) are numerically approached through a collocation technique, which keeps into account the singularity at the shear band tips and permits the analysis of an incident wave impinging a shear band. It is shown that the presence of the shear band induces a resonance, visible in the incremental displacement field and in the stress intensity factor at the shear band tips, which promotes shear band growth. Moreover, the waves scattered by the shear band are shown to generate a fine texture of vibrations, parallel to the shear band line and propagating at a long distance from it, but leaving a sort of conical shadow zone, which emanates from the tips of the shear band.

  10. Interplay of cross-plane polaronic transport and resistive switching in Pt–Pr0.67Ca0.33MnO3–Pt heterostructures

    International Nuclear Information System (INIS)

    Scherff, M; Hoffmann, J; Meyer, B; Danz, Th; Jooss, Ch

    2013-01-01

    The identification of the cross-plane electric transport mechanisms in different resistance states of metal–oxide sandwich structures is essential for gaining insights into the mechanisms of resistive switching (RS). Here, we present a systematic study of cross-plane electric transport properties of Pr 0.67 Ca 0.33 MnO 3 (PCMO) thin films sandwiched by precious Pt metal electrodes. We observe three different transport regimes: ohmic, nonlinear and RS. The nonlinear regime is associated with colossal magneto-resistance (CMR) and colossal electro-resistance (CER) effects. In contrast to RS, the CMR and CER are volatile resistance effects which persist only during application of strong magnetic or electric fields and they are restricted to low temperatures. At low current densities, the device resistance is dominated by small polaron hopping transport of the PCMO film. At higher electric current densities near the switching threshold, the interface resistance starts to dominate and remarkably also exhibits thermally activated transport properties. Our studies also shed light onto the interplay of colossal resistance effects and RS: at low temperatures, RS can be only induced by reduction of the PCMO resistivity through CMR and CER. This clearly demonstrates the key role of the current density for controlling the amplitude of non-volatile resistive changes. Conversely, the CMR can be used as a probe for the switching induced changes in disorder and correlations. At small switching amplitudes, we observe slight changes in polaron activation energy which can be attributed to changes at the interface. If the switching amplitude exceeds 1000% and more, the CMR effect in the device can be reversibly changed. This indicates persistent changes in electronic or lattice structure of large regions within the PCMO film. (paper)

  11. Entrance-channel effects in the population of superdeformed bands

    Energy Technology Data Exchange (ETDEWEB)

    Smith, G.; Haas, B.; Alderson, A.; Ali, I.; Beausang, C.W.; Bentley, M.A.; Dagnall, P.; Fallon, P.; de France, G.; Forsyth, P.D.; Huttmeier, U.; Romain, P.; Santos, D.; Twin, P.J.; Vivien, J.P. (Oliver Lodge Laboratory, University of Liverpool, Liverpool L69 3BX (United Kingdom) Centre de Recherches Nucleaires, F-67037 Strasbourg CEDEX (France) Sciences and Engineering Research Council, Daresbury Laboratory, Warrington WA44AD (United Kingdom))

    1992-01-13

    In order to investigate whether entrance-channel effects influence the production of superdeformed nuclei, we have measured the yield of the yrast superdeformed band in {sup 152}Dy populated via nearly mass-symmetric ({sup 82}Se+{sup 74}Ge) and mass-asymmetric ({sup 48}Ca+{sup 108}Pd, {sup 36}S+{sup 120}Sn) fusion reactions leading to the same compound nucleus at similar excitation energies and angular momenta. Large differences in the relative intensity of the band compared with the total yield of the nucleus are observed in the various reactions. This effect indicates that the competition between fission and neutron evaporation is affected by the mode of formation of the fusing system.

  12. Band structure and optical properties of opal photonic crystals

    Science.gov (United States)

    Pavarini, E.; Andreani, L. C.; Soci, C.; Galli, M.; Marabelli, F.; Comoretto, D.

    2005-07-01

    A theoretical approach for the interpretation of reflectance spectra of opal photonic crystals with fcc structure and (111) surface orientation is presented. It is based on the calculation of photonic bands and density of states corresponding to a specified angle of incidence in air. The results yield a clear distinction between diffraction in the direction of light propagation by (111) family planes (leading to the formation of a stop band) and diffraction in other directions by higher-order planes (corresponding to the excitation of photonic modes in the crystal). Reflectance measurements on artificial opals made of self-assembled polystyrene spheres are analyzed according to the theoretical scheme and give evidence of diffraction by higher-order crystalline planes in the photonic structure.

  13. Coupled polaritonic band gaps in the anisotropic piezoelectric superlattices

    Science.gov (United States)

    Tang, Zheng-Hua; Jiang, Zheng-Sheng; Chen, Tao; Jiang, Chun-Zhi; Lei, Da-Jun; Huang, Jian-Quan; Qiu, Feng; Yao, Min; Huang, Xiao-Yi

    2018-01-01

    Anisotropic piezoelectric superlattices (APSs) with the periodic arrangement of polarized anisotropic piezoelectric domains in a certain direction are presented, in which the coupled polaritonic band gaps (CPBGs) can be obtained in the whole Brillouin Zone and the maximum relative bandwidth (band-gap sizes divided by their midgap frequencies) of 5.1% can be achieved. The general characteristics of the APSs are similar to those of the phononic crystals composed of two types of materials, with the main difference being the formation mechanism of the CPBGs, which originate from the couplings between lattice vibrations along two different directions and electromagnetic waves rather than from the periodical modulation of density and elastic constants. In addition, there are no lattice mismatches because the APSs are made of the same material. Thus, the APSs can also be extended to the construction of novel acousto-optic devices.

  14. NLTE ANALYSIS OF HIGH-RESOLUTION H -BAND SPECTRA. I. NEUTRAL SILICON

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Junbo; Shi, Jianrong; Liu, Chao [Key Laboratory of Optical Astronomy, National Astronomical Observatories, Chinese Academy of Sciences, A20 Datun Road, Chaoyang District, Beijing 100012 (China); Pan, Kaike [Apache Point Observatory and New Mexico State University, P.O. Box 59, Sunspot, NM, 88349-0059 (United States); Prieto, Carlos Allende, E-mail: sjr@bao.ac.cn [Instituto de Astrofísica de Canarias, E-38205 La Laguna, Tenerife (Spain)

    2016-12-20

    We investigated the reliability of our silicon atomic model and the influence of non-local thermodynamical equilibrium (NLTE) on the formation of neutral silicon (Si i) lines in the near-infrared (near-IR) H -band. We derived the differential Si abundances for 13 sample stars with high-resolution H -band spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE), as well as from optical spectra, both under local thermodynamical equilibrium (LTE) and NLTE conditions. We found that the differences between the Si abundances derived from the H -band and from optical lines for the same stars are less than 0.1 dex when the NLTE effects are included, and that NLTE reduces the line-to-line scatter in the H -band spectra for most sample stars. These results suggest that our Si atomic model is appropriate for studying the formation of H -band Si lines. Our calculations show that the NLTE corrections of the Si i H -band lines are negative, i.e., the final Si abundances will be overestimated in LTE. The corrections for strong lines depend on surface gravity, and tend to be larger for giants, reaching ∼−0.2 dex in our sample, and up to ∼−0.4 dex in extreme cases of APOGEE targets. Thus, the NLTE effects should be included in deriving silicon abundances from H -band Si i lines, especially for the cases where only strong lines are available.

  15. Intruder bands in Z = 51 nuclei

    International Nuclear Information System (INIS)

    LaFosse, D.R.

    1993-01-01

    Recent investigations of h 11/2 proton intruder bands in odd 51 Sb nuclei are reported. In addition to experiments performed at SUNY Stony Brook and Chalk River, data from Early Implementation of GAMMASPHERE (analysis in progress) are presented. In particular, the nuclei 109 Sb and 111 Sb are discussed. Rotational bands based on the πh 11/2 orbital coupled to a 2p2h deformed state of the 50 Sn core have been observed. These bands have been observed to high spin, and in the case of 109 Sb to a rotational frequency of 1.4 MeV, the highest frequency observed in a heavy nucleus. The dynamic moments of inertia in these bands decrease slowly with frequency, suggesting a gradual band termination. The systematics of such bands in 109-119 Sb will be discussed

  16. Amniotic band syndrome: A clinical brief

    Directory of Open Access Journals (Sweden)

    Dasaradha Ramireddy Malireddy

    2017-01-01

    Full Text Available Amniotic band syndrome (ABS results from bands of amnion entangling fetal parts. They may manifest as constriction rings or complex congenital anomalies resulting in stillbirth. Karyotyping is important for exclusion of inherited disorders and proper counseling. Two case reports one stillbirth and the other with constriction ring of fingers and mild hydronephrosis are presented. The aim of this paper is to make awareness and stress the need for doing thorough work-up in all cases of constriction bands.

  17. Fade Mitigation Techniques at Ka-Band

    Science.gov (United States)

    Dissanayake, Asoka (Editor)

    1996-01-01

    Rain fading is the dominant propagation impairment affecting Ka-band satellite links and rain fade mitigation is a key element in the design of Ka-band satellite networks. Some of the common fade mitigation techniques include: power control, diversity, adaptive coding, and resource sharing. The Advanced Communications Technology Satellite (ACTS) provides an excellent opportunity to develop and test Ka-band rain impairment amelioration techniques. Up-link power control and diversity are discussed in this paper.

  18. Computational Design of Flat-Band Material

    Science.gov (United States)

    Hase, I.; Yanagisawa, T.; Kawashima, K.

    2018-02-01

    Quantum mechanics states that hopping integral between local orbitals makes the energy band dispersive. However, in some special cases, there are bands with no dispersion due to quantum interference. These bands are called as flat band. Many models having flat band have been proposed, and many interesting physical properties are predicted. However, no real compound having flat band has been found yet despite the 25 years of vigorous researches. We have found that some pyrochlore oxides have quasi-flat band just below the Fermi level by first principles calculation. Moreover, their valence bands are well described by a tight-binding model of pyrochlore lattice with isotropic nearest neighbor hopping integral. This model belongs to a class of Mielke model, whose ground state is known to be ferromagnetic with appropriate carrier doping and on-site repulsive Coulomb interaction. We have also performed a spin-polarized band calculation for the hole-doped system from first principles and found that the ground state is ferromagnetic for some doping region. Interestingly, these compounds do not include magnetic element, such as transition metal and rare-earth elements.

  19. Reward banding to determine reporting rate of recovered mourning dove bands

    Science.gov (United States)

    Tomlinson, R.E.

    1968-01-01

    Reward bands placed on the other leg of certain regularly banded immature mourning doves (Zenaidura macroura) were used to develop information on reporting rates of recovered dove bands. Reports from 15 widely separated sections of the United States showed considerable variation in recovery rate of doves both with and without reward bands. The overall percentages of banded doves that were reported as recovered were 9.69% for those with reward bands and 3.83% for controls. The bandreporting rate for states influenced by publicity was 66%; that for states not influenced was 32%.

  20. On the Mott transition and the new metal-insulator transitions in doped covalent and polar crystals

    International Nuclear Information System (INIS)

    Dzhumanov, S.; Begimkulov, U.; Kurbanov, U.T.; Yavidov, B.Y.

    2001-10-01

    The Mott transition and new metal-insulator transitions (MIT's) and their distinctive features in doped covalent semiconductors and polar compounds are studied within the continuum model of extrinsic carrier self-trapping, the Hubbard impurity band model (with on-site Coulomb repulsion and screening effects) and the extrinsic (bi)polaronic band model (with short- and long-range carrier-impurity, impurity-phonon and carrier-phonon interactions and intercarrier correlation) using the appropriate tight-binding approximations and variational methods. We have shown the formation possibility of large-radius localized one- and two-carrier impurity (or defect) states and narrow impurity bands in the band gap and charge transfer gap of these carrier-doped systems. The extrinsic Mott-Hubbard and (bi)polaronic insulating gaps are calculated exactly. The proper criterions for Mott transition, extrinsic excitonic and (bi)polaronic MIT's are obtained. We have demonstrated that the Mott transition occurs in doped covalent semiconductors (i.e. Si and Ge) and some insulators with weak carrier-phonon coupling near the large-radius dopants. While, in doped polar compounds (e.g. oxide high-T c superconductors (HTSC) and related materials) the MIT's are new extrinsic (or intrinsic) (bi)polaronic MIT's. We have found that the anisotropy of the dielectric (or (bi)polaronic) properties of doped cuprate HTSC is responsible for smooth (or continuous) MIT's, stripe formation and suppression of high-T c superconductivity. Various experimental results on in-gap states, bands and MIT's in doped covalent semiconductors, oxide HTSC and related materials are in good agreement with the developed theory of Mott transition and new (bi)polaronic MIT's. (author)

  1. Microstructural evolution of a model, shear-banding micellar solution during shear startup and cessation.

    Science.gov (United States)

    López-Barrón, Carlos R; Gurnon, A Kate; Eberle, Aaron P R; Porcar, Lionel; Wagner, Norman J

    2014-04-01

    We present direct measurements of the evolution of the segmental-level microstructure of a stable shear-banding polymerlike micelle solution during flow startup and cessation in the plane of flow. These measurements provide a definitive, quantitative microstructural understanding of the stages observed during flow startup: an initial elastic response with limited alignment that yields with a large stress overshoot to a homogeneous flow with associated micellar alignment that persists for approximately three relaxation times. This transient is followed by a shear (kink) band formation with a flow-aligned low-viscosity band that exhibits shear-induced concentration fluctuations and coexists with a nearly isotropic band of homogenous, highly viscoelastic micellar solution. Stable, steady banding flow is achieved only after approximately two reptation times. Flow cessation from this shear-banded state is also found to be nontrivial, exhibiting an initial fast relaxation with only minor structural relaxation, followed by a slower relaxation of the aligned micellar fluid with the equilibrium fluid's characteristic relaxation time. These measurements resolve a controversy in the literature surrounding the mechanism of shear banding in entangled wormlike micelles and, by means of comparison to existing literature, provide further insights into the mechanisms driving shear-banding instabilities in related systems. The methods and instrumentation described should find broad use in exploring complex fluid rheology and testing microstructure-based constitutive equations.

  2. Cement Formation

    DEFF Research Database (Denmark)

    Telschow, Samira; Jappe Frandsen, Flemming; Theisen, Kirsten

    2012-01-01

    Cement production has been subject to several technological changes, each of which requires detailed knowledge about the high multiplicity of processes, especially the high temperature process involved in the rotary kiln. This article gives an introduction to the topic of cement, including...... an overview of cement production, selected cement properties, and clinker phase relations. An extended summary of laboratory-scale investigations on clinkerization reactions, the most important reactions in cement production, is provided. Clinker formations by solid state reactions, solid−liquid and liquid......−liquid reactions are discussed, as are the influences of particles sizes on clinker phase formation. Furthermore, a mechanism for clinker phase formation in an industrial rotary kiln reactor is outlined....

  3. Star formation

    International Nuclear Information System (INIS)

    Woodward, P.R.

    1978-01-01

    Theoretical models of star formation are discussed beginning with the earliest stages and ending in the formation of rotating, self-gravitating disks or rings. First a model of the implosion of very diffuse gas clouds is presented which relies upon a shock at the edge of a galactic spiral arm to drive the implosion. Second, models are presented for the formation of a second generation of massive stars in such a cloud once a first generation has formed. These models rely on the ionizing radiation from massive stars or on the supernova shocks produced when these stars explode. Finally, calculations of the gravitational collapse of rotating clouds are discussed with special focus on the question of whether rotating disks or rings are the result of such a collapse. 65 references

  4. Galaxy Formation

    DEFF Research Database (Denmark)

    Sparre, Martin

    Galaxy formation is an enormously complex discipline due to the many physical processes that play a role in shaping galaxies. The objective of this thesis is to study galaxy formation with two different approaches: First, numerical simulations are used to study the structure of dark matter and how...... galaxies form stars throughout the history of the Universe, and secondly it is shown that observations of gamma-ray bursts (GRBs) can be used to probe galaxies with active star formation in the early Universe. A conclusion from the hydrodynamical simulations is that the galaxies from the stateof...... is important, since it helps constraining chemical evolution models at high redshift. A new project studying how the population of galaxies hosting GRBs relate to other galaxy population is outlined in the conclusion of this thesis. The core of this project will be to quantify how the stellar mass function...

  5. Comet formation

    Science.gov (United States)

    Blum, J.

    2014-07-01

    There has been vast progress in our understanding of planetesimal formation over the past decades, owing to a number of laboratory experiments as well as to refined models of dust and ice agglomeration in protoplanetary disks. Coagulation rapidly forms cm-sized ''pebbles'' by direct sticking in collisions at low velocities (Güttler et al. 2010; Zsom et al. 2010). For the further growth, two model approaches are currently being discussed: (1) Local concentration of pebbles in nebular instabilities until gravitational instability occurs (Johansen et al. 2007). (2) A competition between fragmentation and mass transfer in collisions among the dusty bodies, in which a few ''lucky winners'' make it to planetesimal sizes (Windmark et al. 2012a,b; Garaud et al. 2013). Predictions of the physical properties of the resulting bodies in both models allow a distinction of the two formation scenarios of planetesimals. In particular, the tensile strength (i.e, the inner cohesion) of the planetesimals differ widely between the two models (Skorov & Blum 2012; Blum et al. 2014). While model (1) predicts tensile strengths on the order of ˜ 1 Pa, model (2) results in rather compactified dusty bodies with tensile strengths in the kPa regime. If comets are km-sized survivors of the planetesimal-formation era, they should in principle hold the secret of their formation process. Water ice is the prime volatile responsible for the activity of comets. Thermophysical models of the heat and mass transport close to the comet-nucleus surface predict water-ice sublimation temperatures that relate to maximum sublimation pressures well below the kPa regime predicted for formation scenario (2). Model (1), however, is in agreement with the observed dust and gas activity of comets. Thus, a formation scenario for cometesimals involving gravitational instability is favored (Blum et al. 2014).

  6. Dissepiments, density bands and signatures of thermal stress in Porites skeletons

    Science.gov (United States)

    DeCarlo, Thomas M.; Cohen, Anne L.

    2017-09-01

    The skeletons of many reef-building corals are accreted with rhythmic structural patterns that serve as valuable sclerochronometers. Annual high- and low-density band couplets, visible in X-radiographs or computed tomography scans, are used to construct age models for paleoclimate reconstructions and to track variability in coral growth over time. In some corals, discrete, anomalously high-density bands, called "stress bands," preserve information about coral bleaching. However, the mechanisms underlying the formation of coral skeletal density banding remain unclear. Dissepiments—thin, horizontal sheets of calcium carbonate accreted by the coral to support the living polyp—play a key role in the upward growth of the colony. Here, we first conducted a vital staining experiment to test whether dissepiments were accreted with lunar periodicity in Porites coral skeleton, as previously hypothesized. Over 6, 15, and 21 months, dissepiments consistently formed in a 1:1 ratio to the number of full moons elapsed over each study period. We measured dissepiment spacing to reconstruct multiple years of monthly skeletal extension rates in two Porites colonies from Palmyra Atoll and in another from Palau that bleached in 1998 under anomalously high sea temperatures. Spacing between successive dissepiments exhibited strong seasonality in corals containing annual density bands, with narrow (wide) spacing associated with high (low) density, respectively. A high-density "stress band" accreted during the 1998 bleaching event was associated with anomalously low dissepiment spacing and missed dissepiments, implying that thermal stress disrupts skeletal extension. Further, uranium/calcium ratios increased within stress bands, indicating a reduction in the carbonate ion concentration of the coral's calcifying fluid under stress. Our study verifies the lunar periodicity of dissepiments, provides a mechanistic basis for the formation of annual density bands in Porites, and reveals the

  7. Solid State KA-Band, Solid State W-Band and TWT Amplifiers, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Phase I of the proposal describes plans to develop a state of the art transmitter for the W-Band and KA -Band Cloud Radar system. Our focus will be concentrated in...

  8. Multiple band structure in 156Er

    International Nuclear Information System (INIS)

    Sunyar, A.W.; Der Mateosian, E.; Kistner, O.C.; Johnson, A.; Lumpkin, A.H.; Thieberger, P.

    1976-01-01

    The 142 Nd( 18 O,4n) 156 Er reaction at 90-95 MeV was used to study 156 Er high-spin states to spin 24. In addition to the background ground-state band, two well developed off-spin side bands, one of each parity, were observed. (Auth.)

  9. 47 CFR 90.1213 - Band plan.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Band plan. 90.1213 Section 90.1213 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PRIVATE LAND... § 90.1213 Band plan. The following channel center frequencies are permitted to be aggregated for...

  10. Signature effects in 2-qp rotational bands

    International Nuclear Information System (INIS)

    Jain, A.K.; Goel, A.

    1992-01-01

    The authors briefly review the progress in understanding the 2-qp rotational bands in odd-odd nuclei. Signature effects and the phenomenon of signature inversion are discussed. The Coriolis coupling appears to have all the ingredients to explain the inversion. Some recent work on signature dependence in 2-qp bands of even-even nuclei is also discussed; interesting features are pointed out

  11. Does the chromatic Mach bands effect exist?

    Science.gov (United States)

    Tsofe, Avital; Spitzer, Hedva; Einav, Shmuel

    2009-06-30

    The achromatic Mach bands effect is a well-known visual illusion, discovered over a hundred years ago. This effect has been investigated thoroughly, mainly for its brightness aspect. The existence of Chromatic Mach bands, however, has been disputed. In recent years it has been reported that Chromatic Mach bands are not perceived under controlled iso-luminance conditions. However, here we show that a variety of Chromatic Mach bands, consisting of chromatic and achromatic regions, separated by a saturation ramp, can be clearly perceived under iso-luminance and iso-brightness conditions. In this study, observers' eye movements were recorded under iso-brightness conditions. Several observers were tested for their ability to perceive the Chromatic Mach bands effect and its magnitude, across different cardinal and non-cardinal Chromatic Mach bands stimuli. A computational model of color adaptation, which predicted color induction and color constancy, successfully predicts this variation of Chromatic Mach bands. This has been tested by measuring the distance of the data points from the "achromatic point" and by calculating the shift of the data points from predicted complementary lines. The results suggest that the Chromatic Mach bands effect is a specific chromatic induction effect.

  12. Low band gap polymers for organic photovoltaics

    DEFF Research Database (Denmark)

    Bundgaard, Eva; Krebs, Frederik C

    2007-01-01

    Low band gap polymer materials and their application in organic photovoltaics (OPV) are reviewed. We detail the synthetic approaches to low band gap polymer materials starting from the early methodologies employing quinoid homopolymer structures to the current state of the art that relies...

  13. Band mixing in /sup 160/Dy

    Energy Technology Data Exchange (ETDEWEB)

    Hasiza, M L; Singh, K; Sahota, H S [Punjabi Univ., Patiala (India). Dept. of Physics

    1982-11-01

    The intensities of the gamma transitions in /sup 160/Dy have been measured precisely by a 45 cc Ge(Li) detector. Unequal quadrupole moments for the ground and gamma vibrational bands have been proposed in order to remove the inconsistencies in the values of band mixing parameter Z sub(gamma) for this doubly even deformed nucleus of /sup 160/Dy.

  14. Convex Banding of the Covariance Matrix.

    Science.gov (United States)

    Bien, Jacob; Bunea, Florentina; Xiao, Luo

    2016-01-01

    We introduce a new sparse estimator of the covariance matrix for high-dimensional models in which the variables have a known ordering. Our estimator, which is the solution to a convex optimization problem, is equivalently expressed as an estimator which tapers the sample covariance matrix by a Toeplitz, sparsely-banded, data-adaptive matrix. As a result of this adaptivity, the convex banding estimator enjoys theoretical optimality properties not attained by previous banding or tapered estimators. In particular, our convex banding estimator is minimax rate adaptive in Frobenius and operator norms, up to log factors, over commonly-studied classes of covariance matrices, and over more general classes. Furthermore, it correctly recovers the bandwidth when the true covariance is exactly banded. Our convex formulation admits a simple and efficient algorithm. Empirical studies demonstrate its practical effectiveness and illustrate that our exactly-banded estimator works well even when the true covariance matrix is only close to a banded matrix, confirming our theoretical results. Our method compares favorably with all existing methods, in terms of accuracy and speed. We illustrate the practical merits of the convex banding estimator by showing that it can be used to improve the performance of discriminant analysis for classifying sound recordings.

  15. Atomic-Monolayer MoS2 Band-to-Band Tunneling Field-Effect Transistor

    KAUST Repository

    Lan, Yann Wen

    2016-09-05

    The experimental observation of band-to-band tunneling in novel tunneling field-effect transistors utilizing a monolayer of MoS2 as the conducting channel is demonstrated. Our results indicate that the strong gate-coupling efficiency enabled by two-dimensional materials, such as monolayer MoS2, results in the direct manifestation of a band-to-band tunneling current and an ambipolar transport.

  16. Energy correlations for mixed rotational bands

    International Nuclear Information System (INIS)

    Doessing, T.

    1985-01-01

    A schematic model for the mixing of rotational bands above the yrast line in well deformed nuclei is considered. Many-particle configurations of a rotating mean field form basis bands, and these are subsequently mixed due to a two body residual interaction. The energy interval over which a basis band is spread out increases with increasing excitation energy above the yrast line. Conversely, the B(E2) matrix element for rotational decay out of one of the mixed band states is spread over an interval which is predicted to become more narrow with increasing excitation energy. Finally, the implication of band mixing for γ-ray energy correlations is briefly discussed. (orig.)

  17. Fluctuation diamagnetism in two-band superconductors

    Science.gov (United States)

    Adachi, Kyosuke; Ikeda, Ryusuke

    2016-04-01

    Anomalously large fluctuation diamagnetism around the superconducting critical temperature has been recently observed in iron selenide (FeSe) [Kasahara et al. (unpublished)]. This indicates that superconducting fluctuations (SCFs) play a more significant role in FeSe, which supposedly has a two-band structure, than in the familiar single-band superconductors. Motivated by the data on FeSe, SCF-induced diamagnetism is examined in a two-band system, on the basis of a phenomenological approach with a Ginzburg-Landau functional. The obtained results indicate that the SCF-induced diamagnetism may be more enhanced than that in a single-band system due to the existence of two distinct fluctuation modes. Such enhancement of diamagnetism unique to a two-band system seems consistent with the large diamagnetism observed in FeSe, though still far from a quantitative agreement.

  18. Design of a side-band-separating heterodyne mixer for band 9 of ALMA

    NARCIS (Netherlands)

    Baryshev, AM; Kooi, J; Mena, FR; Lodewijk, CRJ; Wild, W

    2005-01-01

    A side-band-separating (SBS) heterodyne mixer has been designed for the Atacama Large Millimeter Array (ALMA) 602-720 GHz band, as it will present a great improvement over the current double-side-band configuration under development at the moment. Here we present design details and the results of

  19. Absorption band Q model for the earth

    International Nuclear Information System (INIS)

    Anderson, D.L.; Given, J.W.

    1982-01-01

    Body wave, surface wave, and normal mode data are used to place constraints on the frequency dependence of Q in the mantle. With a simple absorption band model it is possible to satisfy the shear sensitive data over a broad frequency range. The quality factor Q/sub s/(ω) is proportional to ω/sup α/ in the band and to ω and ω -1 at higher and lower frequencies, respectively, as appropriate for a relaxation mechanism with a spectrum of relaxation time. The parameters of the band are Q(min) = 80, α = 0.15, and width, 5 decades. The center of the band varies from 10 1 seconds in the upper mantle, to 1.6 x 10 3 seconds in the lower mantle. The shift of the band with depth is consistent with the expected effects of temperature, pressure and stress. High Q, regions of the mantle are attributed to a shift of the absorption band to longer periods. To satisfy the gravest fundamental spheroidal modes and the ScS data, the absorption band must shift back into the short-period seismic band at the base of the mantle. This may be due to a high temperature gradient or high shear stresses. A preliminary attempt is also made to specify bulk dissipation in the mantle and core. Specific features of the absorption band model are low Q in the body wave band at both the top and the base of the mantle, low Q for long-period body waves in the outer core, an inner core Q 2 that increases with period, and low Q/sub p//Q/sub s/ at short periods in the middle mantel. The short-period Q/sub s/ increases rapidly at 400 km and is relatively constant from this depth to 2400 km. The deformational Q of the earth at a period of 14 months is predicted to be 463

  20. Band-type microelectrodes for amperometric immunoassays

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ga-Yeon; Chang, Young Wook; Ko, Hyuk [Department of Materials Science and Engineering, Yonsei University, 134 Shinchon-dong, Seodaemun-gu, Seoul, 120-749 (Korea, Republic of); Kang, Min-Jung [Korea Institute of Science and Technology (KIST), Seoul (Korea, Republic of); Pyun, Jae-Chul, E-mail: jcpyun@yonsei.ac.kr [Department of Materials Science and Engineering, Yonsei University, 134 Shinchon-dong, Seodaemun-gu, Seoul, 120-749 (Korea, Republic of)

    2016-07-20

    A band-type microelectrode was made using a parylene-N film as a passivation layer. A circular-type, mm-scale electrode with the same diameter as the band-type microelectrode was also made with an electrode area that was 5000 times larger than the band-type microelectrode. By comparing the amperometric signals of 3,5,3′,5′-tetramethylbenzidine (TMB) samples at different optical density (OD) values, the band-type microelectrode was determined to be 9 times more sensitive than the circular-type electrode. The properties of the circular-type and the band-type electrodes (e.g., the shape of their cyclic voltammograms, the type of diffusion layer used, and the diffusion layer thickness per unit electrode area) were characterized according to their electrode area using the COMSOL Multiphysics software. From these simulations, the band-type electrode was estimated to have the conventional microelectrode properties, even when the electrode area was 100 times larger than a conventional circular-type electrode. These results show that both the geometry and the area of an electrode can influence the properties of the electrode. Finally, amperometric analysis based on a band-type electrode was applied to commercial ELISA kits to analyze human hepatitis B surface antigen (hHBsAg) and human immunodeficiency virus (HIV) antibodies. - Highlights: • A band-type microelectrode was made using a parylene-N film as a passivation layer. • The band-type microelectrode was 14-times more sensitive than circular-type electrode. • The influence of geometry on microelectrode properties was simulated using COMSOL. • The band-type electrode was applied to ELISA kits for hHBsAg and hHIV-antibodies.

  1. Effects of corrugation shape on frequency band-gaps for longitudinal wave motion in a periodic elastic layer

    DEFF Research Database (Denmark)

    Sorokin, Vladislav

    2016-01-01

    The paper concerns determining frequency band-gaps for longitudinal wave motion in a periodic waveguide. The waveguide may be considered either as an elastic layer with variable thickness or as a rod with variable cross section. As a result, widths and locations of all frequency band-gaps are det......The paper concerns determining frequency band-gaps for longitudinal wave motion in a periodic waveguide. The waveguide may be considered either as an elastic layer with variable thickness or as a rod with variable cross section. As a result, widths and locations of all frequency band......, harmonic in the corrugation series. The revealed insights into the mechanism of band-gap formation can be used to predict locations and widths of all frequency band-gaps featured by any corrugation shape. These insights are general and can be valid also for other types of wave motion in periodic structures...

  2. Band Gap Optimization Design of Photonic Crystals Material

    Science.gov (United States)

    Yu, Y.; Yu, B.; Gao, X.

    2017-12-01

    The photonic crystal has a fundamental characteristic - photonic band gap, which can prevent light to spread in the crystals. This paper studies the width variation of band gaps of two-dimension square lattice photonic crystals by changing the geometrical shape of the unit cells’ inner medium column. Using the finite element method, we conduct numerical experiments on MATLAB 2012a and COMSOL 3.5. By shortening the radius in vertical axis and rotating the medium column, we design a new unit cell, with a 0.3*3.85e-7 vertical radius and a 15 degree deviation to the horizontal axis. The new cell has a gap 1.51 percent wider than the circle medium structure in TE gap and creates a 0.0124 wide TM gap. Besides, the experiment shows the first TM gap is partially overlapped by the second TE gap in gap pictures. This is helpful to format the absolute photonic band gaps and provides favorable theoretical basis for designing photonic communication material.

  3. NLTE ANALYSIS OF HIGH-RESOLUTION H -BAND SPECTRA. II. NEUTRAL MAGNESIUM

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Junbo; Shi, Jianrong; Liu, Chao [Key Laboratory of Optical Astronomy, National Astronomical Observatories, Chinese Academy of Sciences, A20 Datun Road, Chaoyang District, Beijing 100012 (China); Pan, Kaike [Apache Point Observatory and New Mexico State University, P.O. Box 59, Sunspot, NM 88349-0059 (United States); Prieto, Carlos Allende, E-mail: sjr@bao.ac.cn [Instituto de Astrofísica de Canarias, E-38205 La Laguna, Tenerife (Spain)

    2017-01-20

    Aiming at testing the validity of our magnesium atomic model and investigating the effects of non-local thermodynamical equilibrium (NLTE) on the formation of the H -band neutral magnesium lines, we derive the differential Mg abundances from selected transitions for 13 stars either adopting or relaxing the assumption of local thermodynamical equilibrium (LTE). Our analysis is based on high-resolution and high signal-to-noise ratio H -band spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE) and optical spectra from several instruments. The absolute differences between the Mg abundances derived from the two wavelength bands are always less than 0.1 dex in the NLTE analysis, while they are slightly larger for the LTE case. This suggests that our Mg atomic model is appropriate for investigating the NLTE formation of the H -band Mg lines. The NLTE corrections for the Mg i H -band lines are sensitive to the surface gravity, becoming larger for smaller log g values, and strong lines are more susceptible to departures from LTE. For cool giants, NLTE corrections tend to be negative, and for the strong line at 15765 Å they reach −0.14 dex in our sample, and up to −0.22 dex for other APOGEE stars. Our results suggest that it is important to include NLTE corrections in determining Mg abundances from the H -band Mg i transitions, especially when strong lines are used.

  4. Band structures in two-dimensional phononic crystals with periodic Jerusalem cross slot

    Science.gov (United States)

    Li, Yinggang; Chen, Tianning; Wang, Xiaopeng; Yu, Kunpeng; Song, Ruifang

    2015-01-01

    In this paper, a novel two-dimensional phononic crystal composed of periodic Jerusalem cross slot in air matrix with a square lattice is presented. The dispersion relations and the transmission coefficient spectra are calculated by using the finite element method based on the Bloch theorem. The formation mechanisms of the band gaps are analyzed based on the acoustic mode analysis. Numerical results show that the proposed phononic crystal structure can yield large band gaps in the low-frequency range. The formation mechanism of opening the acoustic band gaps is mainly attributed to the resonance modes of the cavities inside the Jerusalem cross slot structure. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically. Results show that the band gaps can be modulated in an extremely large frequency range by the geometry parameters such as the slot length and width. These properties of acoustic waves in the proposed phononic crystals can potentially be applied to optimize band gaps and generate low-frequency filters and waveguides.

  5. A Mesoproterozoic iron formation

    Science.gov (United States)

    Canfield, Donald E.; Zhang, Shuichang; Wang, Huajian; Wang, Xiaomei; Zhao, Wenzhi; Su, Jin; Bjerrum, Christian J.; Haxen, Emma R.; Hammarlund, Emma U.

    2018-04-01

    We describe a 1,400 million-year old (Ma) iron formation (IF) from the Xiamaling Formation of the North China Craton. We estimate this IF to have contained at least 520 gigatons of authigenic Fe, comparable in size to many IFs of the Paleoproterozoic Era (2,500–1,600 Ma). Therefore, substantial IFs formed in the time window between 1,800 and 800 Ma, where they are generally believed to have been absent. The Xiamaling IF is of exceptionally low thermal maturity, allowing the preservation of organic biomarkers and an unprecedented view of iron-cycle dynamics during IF emplacement. We identify tetramethyl aryl isoprenoid (TMAI) biomarkers linked to anoxygenic photosynthetic bacteria and thus phototrophic Fe oxidation. Although we cannot rule out other pathways of Fe oxidation, iron and organic matter likely deposited to the sediment in a ratio similar to that expected for anoxygenic photosynthesis. Fe reduction was likely a dominant and efficient pathway of organic matter mineralization, as indicated by organic matter maturation by Rock Eval pyrolysis combined with carbon isotope analyses: Indeed, Fe reduction was seemingly as efficient as oxic respiration. Overall, this Mesoproterozoic-aged IF shows many similarities to Archean-aged (>2,500 Ma) banded IFs (BIFs), but with an exceptional state of preservation, allowing an unprecedented exploration of Fe-cycle dynamics in IF deposition.

  6. Slip band distribution and morphology in cyclically deformed nickel polycrystals with ion beam mixed surface films

    International Nuclear Information System (INIS)

    Grummon, D.S.; Jones, J.W.; Eridon, J.; Was, G.S.; Rehn, L.E.

    1986-08-01

    It is shown that surface modification by ion beam mixing produces potentially beneficial effects on cyclic deformation phenomena associated with fatigue crack initiation. The principal effects of the modifications are to suppress the formation of the notch-peak surface topography of persistent slip bands (PSBs) and inhibit the net extrusion of PSBs from the free surface. The dominant ''failure mode'' of the surface is changed from extrusion and notch formation to surface film rupture

  7. Preliminary Analysis of X-Band and Ka-Band Radar for Use in the Detection of Icing Conditions Aloft

    Science.gov (United States)

    Reehorst, Andrew L.; Koenig, George G.

    2004-01-01

    NASA and the U.S. Army Cold Regions Research and Engineering Laboratory (CRREL) have an on-going activity to develop remote sensing technologies for the detection and measurement of icing conditions aloft. Radar has been identified as a strong tool for this work. However, since the remote detection of icing conditions with the intent to identify areas of icing hazard is a new and evolving capability, there are no set requirements for radar sensitivity. This work is an initial attempt to quantify, through analysis, the sensitivity requirements for an icing remote sensing radar. The primary radar of interest for cloud measurements is Ka-band, however, since NASA is currently using an X-band unit, this frequency is also examined. Several aspects of radar signal analysis were examined. Cloud reflectivity was calculated for several forms of cloud using two different techniques. The Air Force Geophysical Laboratory (AFGL) cloud models, with different drop spectra represented by a modified gamma distribution, were utilized to examine several categories of cloud formation. Also a fundamental methods approach was used to allow manipulation of the cloud droplet size spectra. And an analytical icing radar simulator was developed to examine the complete radar system response to a configurable multi-layer cloud environment. Also discussed is the NASA vertical pointing X-band radar. The radar and its data system are described, and several summer weather events are reviewed.

  8. Two-band superconductor magnesium diboride

    International Nuclear Information System (INIS)

    Xi, X X

    2008-01-01

    This review focuses on the most important features of the 40 K superconductor MgB 2 -the weakly interacting multiple bands (the σ and π bands) and the distinct multiple superconducting energy gaps (the σ and π gaps). Even though the pairing mechanism of superconductor MgB 2 is the conventional electron-phonon coupling, the prominent influence of the two bands and two gaps on its properties sets it apart from other superconductors. It leads to markedly different behaviors in upper critical field, vortex structure, magnetoresistance and many other superconducting and normal-state properties in MgB 2 from single-band superconductors. Further, it gives rise to new physics that does not exist in single-band superconductors, such as the internal Josephson effects between the two order parameters. These unique phenomena depend sensitively on scattering inside and between the two bands, and the intraband and interband scattering can be modified by chemical substitution and irradiation. MgB 2 has brought unprecedented attention to two-band superconductivity, which has been found to exist in other old and new superconductors. The legacy of MgB 2 will be long lasting because of this, as well as the lessons it teaches in terms of the search for new phonon-mediated higher T c superconductors

  9. Dual-band frequency selective surface with large band separation and stable performance

    International Nuclear Information System (INIS)

    Zhou Hang; Qu Shao-Bo; Lin Bao-Qin; Wang Jia-Fu; Ma Hua; Zhang Jie-Qiu; Peng Wei-Dong; Bai Peng; Wang Xu-Hua; Xu Zhuo

    2012-01-01

    A new technique of designing a dual-band frequency selective surface with large band separation is presented. This technique is based on a delicately designed topology of L- and Ku-band microwave filters. The two band-pass responses are generated by a capacitively-loaded square-loop frequency selective surface and an aperture-coupled frequency selective surface, respectively. A Faraday cage is located between the two frequency selective surface structures to eliminate undesired couplings. Based on this technique, a dual-band frequency selective surface with large band separation is designed, which possesses large band separation, high selectivity, and stable performance under various incident angles and different polarizations. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  10. Snow bands over the Gulf of Finland in wintertime

    Directory of Open Access Journals (Sweden)

    Jordi Mazon

    2015-01-01

    Full Text Available Large shore-parallel, quasi-stationary snow bands are occasionally observed over the Gulf of Finland during wintertime when the sea is not frozen. On the basis of Weather Research and Forecasting mesoscale model experiments and radar observations of snow bands formed in January 2006 and February 2012, we show that their dynamics share common characteristics: (1 the sea gulf that produces the known lake effect, (2 cold easterly large-scale flow along the gulf and (3 a cold local flow from the two near and opposite coastlines of Estonia and Finland in the form of two land-breeze cells which collide offshore. The associated fronts, which have strong rising motions, are maintained by the convergence of the land-breeze cells. In addition to these factors, the concave shape of the coast in the eastern part of the Gulf of Finland promotes offshore convergence and the formation of several secondary bands of precipitation that are adjacent to the eastern part of the main band. When the easterlies turn to southerlies, horizontal convective rolls appear over the sea. The Estonian land breeze is enhanced while the cold air remains stagnant inland over the Finnish coast, acting as an orographic barrier lifting the marine air mass upwards. Consequently, a line of convective precipitation composed of several cells is formed along the Finnish coast. In both events, the simulations also show two low-level jets generated by the combined effects of the land-breeze cells and baroclinicity over the coast of Finland and Estonia.

  11. An L Band Spectrum of the Coldest Brown Dwarf

    Science.gov (United States)

    Morley, Caroline V.; Skemer, Andrew J.; Allers, Katelyn N.; Marley, Mark. S.; Faherty, Jacqueline K.; Visscher, Channon; Beiler, Samuel A.; Miles, Brittany E.; Lupu, Roxana; Freedman, Richard S.; Fortney, Jonathan J.; Geballe, Thomas R.; Bjoraker, Gordon L.

    2018-05-01

    The coldest brown dwarf, WISE 0855, is the closest known planetary-mass, free-floating object and has a temperature nearly as cold as the solar system gas giants. Like Jupiter, it is predicted to have an atmosphere rich in methane, water, and ammonia, with clouds of volatile ices. WISE 0855 is faint at near-infrared wavelengths and emits almost all its energy in the mid-infrared. Skemer et al. presented a spectrum of WISE 0855 from 4.5–5.1 μm (M band), revealing water vapor features. Here, we present a spectrum of WISE 0855 in the L band, from 3.4–4.14 μm. We present a set of atmosphere models that include a range of compositions (metallicities and C/O ratios) and water ice clouds. Methane absorption is clearly present in the spectrum. The mid-infrared color can be better matched with a methane abundance that is depleted relative to solar abundance. We find that there is evidence for water ice clouds in the M band spectrum, and we find a lack of phosphine spectral features in both the L and M band spectra. We suggest that a deep continuum opacity source may be obscuring the near-infrared flux, possibly a deep phosphorous-bearing cloud, ammonium dihyrogen phosphate. Observations of WISE 0855 provide critical constraints for cold planetary atmospheres, bridging the temperature range between the long-studied solar system planets and accessible exoplanets. The James Webb Space Telescope will soon revolutionize our understanding of cold brown dwarfs with high-precision spectroscopy across the infrared, allowing us to study their compositions and cloud properties, and to infer their atmospheric dynamics and formation processes.

  12. Graphene-induced band gap renormalization in polythiophene: a many-body perturbation study

    Science.gov (United States)

    Marsusi, F.; Fedorov, I. A.; Gerivani, S.

    2018-01-01

    Density functional theory and many-body perturbation theory at the G0W0 level are employed to study the electronic properties of polythiophene (PT) adsorbed on the graphene surface. Analysis of the charge density difference shows that substrate-adsorbate interaction leads to a strong physisorption and interfacial electric dipole moment formation. The electrostatic potential displays a  -0.19 eV shift in the graphene work function from its initial value of 4.53 eV, as the result of the interaction. The LDA band gap of the polymer does not show any change. However, the band structure exhibits weak orbital hybridizations resulting from slight overlapping between the polymer and graphene states wave functions. The interfacial polarization effects on the band gap and levels alignment are investigated at the G0W0 level and show a notable reduction of PT band gap compared to that of the isolated chain.

  13. Band gap engineering of N-alloyed Ga2O3 thin films

    Directory of Open Access Journals (Sweden)

    Dongyu Song

    2016-06-01

    Full Text Available The authors report the tuning of band gap of GaON ternary alloy in a wide range of 2.75 eV. The samples were prepared by a two-step nitridation method. First, the samples were deposited on 2-inch fused silica substrates by megnetron sputtering with NH3 and Ar gas for 60 minutes. Then they were annealed in NH3 ambience at different temperatures. The optical band gap energies are calculated from transmittance measurements. With the increase of nitridation temperature, the band gap gradually decreases from 4.8 eV to 2.05 eV. X-ray diffraction results indicate that as-deposited amorphous samples can crystallize into monoclinic and hexagonal structures after they were annealed in oxygen or ammonia ambience, respectively. The narrowing of the band gap is attributed to the enhanced repulsion of N2p -Ga3d orbits and formation of hexagonal structure.

  14. CZTS stoichiometry effects on the band gap energy

    International Nuclear Information System (INIS)

    Malerba, Claudia; Biccari, Francesco; Azanza Ricardo, Cristy Leonor; Valentini, Matteo; Chierchia, Rosa; Müller, Melanie; Santoni, Antonino; Esposito, Emilia; Mangiapane, Pietro; Scardi, Paolo; Mittiga, Alberto

    2014-01-01

    Highlights: • CZTS films with different compositions were grown from stacked-layer precursors. • The band-gap energy varies from 1.48 to 1.63 eV as the [Sn]/[Cu] ratio increases. • The Zn content seems not to be a critical parameter for the optical properties. • PDS data show an increase of the sub-gap absorption as the Sn content is reduced. • Formation of defects at low Sn content was proposed to explain the Eg variation. -- Abstract: The considerable spread of Cu 2 ZnSnS 4 (CZTS) optical properties reported in the literature is discussed in terms of material stoichiometry. To this purpose, kesterite thin films were prepared by sulfurization of multilayered precursors of ZnS, Cu and Sn, changing the relative amounts to obtain CZTS layers with different compositions. X-Ray Diffraction (XRD), Energy Dispersive X-Ray (EDX) spectroscopy, X-Ray Photoelectron Spectroscopy (XPS) and Raman spectroscopy were used for structural and compositional analysis. XRD quantitative phase analysis provides the amount of spurious phases and information on Sn-site occupancy. The optical properties were investigated by spectrophotometric and Photothermal Deflection Spectroscopy (PDS) measurements to assess the absorption coefficient of samples with different compositions. The PDS data show an increase of the sub-band absorption as the Sn content decreases. The results are interpreted assuming the formation of additional defects as the tin content is reduced. Those defects can also be responsible for the decrease of the band gap energy value as the Sn/Cu ratio is decreased

  15. Ab initio calculation of band alignment of epitaxial La2O3 on Si(111 substrate

    Directory of Open Access Journals (Sweden)

    Alberto Debernardi

    2015-08-01

    Full Text Available By means of plane wave pseudopotential method we have studied the electronic properties of the heterostructure formed by an high dielectric constant (k oxide, the hexagonal La2O3 epitaxially grown with (0001-orientation on Si (111 substrate. We found that for La2O3 both the dielectric constant along the growth direction and the band gap are larger in the epitaxial film than in the bulk. By super-cell techniques we have computed the band alignment of the junction finding a valence band offset and a conduction band offset of ~1.6 eV and ~1.7 eV respectively. We demonstrate that the band alignment can be engineered by δ-doping the interface: our simulations show that, by doping the interface with S or Se monolayer, the valence (conduction band offset increases (decreases of about 0.5 eV without the formation of spurious electronic states in the semiconductor band-gap. The simulation of the critical thickness of pseudomorphic Lanthana film complete the work. Our results are relevant for the realization of a new generation of devices based on ultra-scaled complementary metal oxides semiconductors (CMOS technology.

  16. THE A-X INFRARED BANDS OF ALUMINUM OXIDE IN STARS: SEARCH AND NEW DETECTIONS

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, D. P. K.; Mathew, Blesson; Ashok, N. M. [Astronomy and Astrophysics Division, Physical Research Laboratory, Navrangpura, Ahmedabad, Gujarat 380009 (India); Varricatt, W. P. [Joint Astronomy Centre, 660 N. Aohoku Place, University Park, Hilo, Hawaii, HI 96720 (United States); Launila, O., E-mail: orion@prl.res.in [KTH-AlbaNova, Applied Physics, Roslagstullsbacken 21, 106 91 Stockholm (Sweden)

    2012-07-01

    We describe a search for the A-X infrared bands of AlO with a view toward better understanding the characteristics of this radical. These bands are infrequently encountered in astronomical sources but surprisingly were very prominent in the spectra of two well-known, novalike variables (V838 Mon and V4332 Sgr) thereby motivating us to explore the physical conditions necessary for their excitation. In this study, we present the detection of A-X bands in the spectra of 13 out of 17 stars, selected on the basis of their J - K colors as potential candidates for detection of these bands. The majority of the AlO detections are in asymptotic giant branch (AGB) stars, viz., nine OH/IR stars, two Mira variables, and two bright infrared sources. Our study shows that the A-X bands are fairly prevalent in sources with low temperature and O-rich environments. Interesting variation in the strength of the AlO bands in one of the sources (IRAS 18530+0817) is reported and the cause for this is examined. Possible applications of the present study are discussed in terms of the role of AlO in alumina dust formation, the scope for estimating the radioactive {sup 26}Al content in AGB stars from the A-X bands, and providing possible targets for further mm/radio studies of AlO which has recently been discovered at millimeter wavelengths.

  17. Asymmetric acoustic transmission in multiple frequency bands

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Hong-xiang, E-mail: jsdxshx@ujs.edu.cn [Research Center of Fluid Machinery Engineering and Technology, Jiangsu University, Zhenjiang 212013 (China); Laboratory of Modern Acoustics, Institute of Acoustics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China); State Key Laboratory of Acoustics, Institute of Acoustics, Chinese Academy of Sciences, Beijing 100190 (China); Yuan, Shou-qi, E-mail: Shouqiy@ujs.edu.cn [Research Center of Fluid Machinery Engineering and Technology, Jiangsu University, Zhenjiang 212013 (China); Zhang, Shu-yi [Laboratory of Modern Acoustics, Institute of Acoustics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China)

    2015-11-23

    We report both experimentally and numerically that the multi-band device of the asymmetric acoustic transmission is realized by placing two periodic gratings with different periods on both sides of two brass plates immersed in water. The asymmetric acoustic transmission can exist in four frequency bands below 1500 kHz, which arises from the interaction between various diffractions from the two gratings and Lamb modes in the brass plates immersed in water. The results indicate that the device has the advantages of multiple band, broader bandwidth, and simpler structure. Our finding should have great potential applications in ultrasonic devices.

  18. Asymmetric acoustic transmission in multiple frequency bands

    International Nuclear Information System (INIS)

    Sun, Hong-xiang; Yuan, Shou-qi; Zhang, Shu-yi

    2015-01-01

    We report both experimentally and numerically that the multi-band device of the asymmetric acoustic transmission is realized by placing two periodic gratings with different periods on both sides of two brass plates immersed in water. The asymmetric acoustic transmission can exist in four frequency bands below 1500 kHz, which arises from the interaction between various diffractions from the two gratings and Lamb modes in the brass plates immersed in water. The results indicate that the device has the advantages of multiple band, broader bandwidth, and simpler structure. Our finding should have great potential applications in ultrasonic devices

  19. DISCOVERY OF SiO BAND EMISSION FROM GALACTIC B[e] SUPERGIANTS

    Energy Technology Data Exchange (ETDEWEB)

    Kraus, M. [Astronomický ústav, Akademie věd České republiky, Fričova 298, 251 65 Ondřejov (Czech Republic); Oksala, M. E. [LESIA, Observatoire de Paris, CNRS UMR 8109, UPMC, Université Paris Diderot, 5 place Jules Janssen, F-92190, Meudon (France); Cidale, L. S.; Arias, M. L.; Torres, A. F. [Departamento de Espectroscopía Estelar, Facultad de Ciencias Astronómicas y Geofísicas, Universidad Nacional de La Plata (Argentina); Fernandes, M. Borges, E-mail: michaela.kraus@asu.cas.cz [Observatório Nacional, Rua General José Cristino 77, 20921-400 São Cristovão, Rio de Janeiro (Brazil)

    2015-02-20

    B[e] supergiants (B[e]SGs) are evolved massive stars in a short-lived transition phase. During this phase, these objects eject large amounts of material, which accumulate in a circumstellar disk-like structure. The expelled material is typically dense and cool, providing the cradle for molecule and dust condensation and for a rich, ongoing chemistry. Very little is known about the chemical composition of these disks, beyond the emission from dust and CO revolving around the star on Keplerian orbits. As massive stars preserve an oxygen-rich surface composition throughout their life, other oxygen-based molecules can be expected to form. As SiO is the second most stable oxygen compound, we initiated an observing campaign to search for first-overtone SiO emission bands. We obtained high-resolution near-infrared L-band spectra for a sample of Galactic B[e]SGs with reported CO band emission. We clearly detect emission from the SiO first-overtone bands in CPD-52 9243 and indications for faint emission in HD 62623, HD 327083, and CPD-57 2874. From model fits, we find that in all these stars the SiO bands are rotationally broadened with a velocity lower than observed in the CO band forming regions, suggesting that SiO forms at larger distances from the star. Hence, searching for and analyzing these bands is crucial for studying the structure and kinematics of circumstellar disks, because they trace complementary regions to the CO band formation zone. Moreover, since SiO molecules are the building blocks for silicate dust, their study might provide insight in the early stage of dust formation.

  20. Mechanisms of fine extinction band development in vein quartz: new insights from correlative light and electron microscopy

    Science.gov (United States)

    Derez, Tine; Van Der Donck, Tom; Plümper, Oliver; Muchez, Philippe; Pennock, Gill; Drury, Martyn R.; Sintubin, Manuel

    2017-07-01

    Fine extinction bands (FEBs) (also known as deformation lamellae) visible with polarized light microscopy in quartz consist of a range of nanostructures, inferring different formation processes. Previous transmission electron microscopy studies have shown that most FEB nanostructures in naturally deformed quartz are elongated subgrains formed by recovery of dislocation slip bands. Here we show that three types of FEB nanostructure occur in naturally deformed vein quartz from the low-grade metamorphic High-Ardenne slate belt (Belgium). Prismatic oriented FEBs are defined by bands of dislocation walls. Dauphiné twin boundaries present along the FEB boundaries probably formed after FEB formation. In an example of two sub-rhombohedral oriented FEBs, developed as two sets in one grain, the finer FEB set consists of elongated subgrains, similar to FEBs described in previous transmission electron microscopy studies. The second wider FEB set consists of bands with different dislocation density and fluid-inclusion content. The wider FEB set is interpreted as bands with different plastic strain associated with the primary growth banding of the vein quartz grain. The nanometre-scale fluid inclusions are interpreted to have formed from structurally bounded hydroxyl groups that moreover facilitated formation of the elongate subgrains. Larger fluid inclusions aligned along FEBs are explained by fluid-inclusion redistribution along dislocation cores. The prismatic FEB nanostructure and the relation between FEBs and growth bands have not been recognized before, although related structures have been reported in experimentally deformed quartz.

  1. Observation of dipole bands in 144Sm

    International Nuclear Information System (INIS)

    Raut, R.; Ganguly, S.; Kshetri, R.; Banerjee, P.; Bhattacharya, S.; Dasmahapatra, B.; Mukherjee, A.; Sahasarkar, M.; Goswami, A.; Basu, S.K.; Bhattacharjee, T.; Mukherjee, G.; Chakraborty, A.; Ghughre, S.S.; Krishichayan; Mukhopadhyay, S.; Gangopadhyay, G.; Singh, A.K.

    2007-01-01

    The nucleus 144 Sm (Z=62, N=82), with its proximity to the shell closure and possibilities of particles and holes occupying high j orbitals, following appropriate excitations, is a suitable system for observation of dipole (MR) bands

  2. Silicone rubber band for laparoscopic tubal sterilization.

    Science.gov (United States)

    Ansari, A H; Sealey, R M; Gay, J W; Kang, I

    1977-12-01

    In 1974, Yoon and associates (Am J Obstet Gynecol 120:132, 1974) described a new approach in which laparoscopic tubal occlusion was accomplished by utilizing the silicone rubber band technique. Recognizing the great advantages of the new technique in eliminating potential thermal injury associated with electrocoagulation, the authors have utilized the Yoon silicone rubber band technique in these institutions over the past 20 months. Thus far the procedure has been performed in 304 patients without any major complications. In the hope of eliminating and/or reducing possible pregnancy-failure rates, in 110 cases. In addition to application of the silicone band, the tube within the band was transected with non-electrical Seigler biopsy forceps. This, we believe, should provide an interesting long-term comparative study.

  3. The Novel Microwave Stop-Band Filter

    Directory of Open Access Journals (Sweden)

    R. E. Chernobrovkin

    2008-01-01

    Full Text Available The stop-band filter with the new band-rejection element is proposed. The element is a coaxial waveguide with the slot in the centre conductor. In the frame of this research, the numerical and experimental investigations of the amplitude-frequency characteristics of the filter are carried out. It is noted that according to the slot parameters the two typical resonances (half-wave and quarter-wave can be excited. The rejection band of the single element is defined by the width, depth, and dielectric filling of the slot. Fifth-order Chebyshev filter utilizing the aforementioned element is also synthesized, manufactured, and tested. The measured and simulated results are in good agreement. The experimental filter prototype exhibits the rejection band 0.86 GHz at the level −40 dB.

  4. The cellular approach to band structure calculations

    International Nuclear Information System (INIS)

    Verwoerd, W.S.

    1982-01-01

    A short introduction to the cellular approach in band structure calculations is given. The linear cellular approach and its potantial applicability in surface structure calculations is given some consideration in particular

  5. Full L-S Band Telemetry System

    National Research Council Canada - National Science Library

    Jensen, Michael

    2001-01-01

    Recent changes in spectrum availability as well as higher demands for spectrum have motivated the development of telemetry transmit systems capable of fully operating over both L and S telemetry bands...

  6. Full L-S Band Telemetry System

    National Research Council Canada - National Science Library

    Jensen, Michael

    2003-01-01

    Recent changes in spectrum availability as well as higher demands for spectrum have motivated the development of telemetry transmit systems capable of fully operating over both L and S telemetry bands...

  7. Full L-S Band Telemetry System

    National Research Council Canada - National Science Library

    Jensen, Michael

    2002-01-01

    Recent changes in spectrum availability as well as higher demands for spectrum have motivated the development of telemetry transmit systems capable of fully operating over both L and S telemetry bands...

  8. Deployable Ka-Band Reflectarray, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Tyvak, in collaboration with UCLA, proposes a novel approach to the challenge of creating a large reflector for Ka-band high data rate links. We propose to attach...

  9. Confidence bands for inverse regression models

    International Nuclear Information System (INIS)

    Birke, Melanie; Bissantz, Nicolai; Holzmann, Hajo

    2010-01-01

    We construct uniform confidence bands for the regression function in inverse, homoscedastic regression models with convolution-type operators. Here, the convolution is between two non-periodic functions on the whole real line rather than between two periodic functions on a compact interval, since the former situation arguably arises more often in applications. First, following Bickel and Rosenblatt (1973 Ann. Stat. 1 1071–95) we construct asymptotic confidence bands which are based on strong approximations and on a limit theorem for the supremum of a stationary Gaussian process. Further, we propose bootstrap confidence bands based on the residual bootstrap and prove consistency of the bootstrap procedure. A simulation study shows that the bootstrap confidence bands perform reasonably well for moderate sample sizes. Finally, we apply our method to data from a gel electrophoresis experiment with genetically engineered neuronal receptor subunits incubated with rat brain extract

  10. Control Banding and Nanotechnology Synergist

    Energy Technology Data Exchange (ETDEWEB)

    Zalk, D; Paik, S

    2009-12-15

    The average Industrial Hygienist (IH) loves a challenge, right? Okay, well here is one with more than a few twists. We start by going through the basics of a risk assessment. You have some chemical agents, a few workers, and the makings of your basic exposure characterization. However, you have no occupational exposure limit (OEL), essentially no toxicological basis, and no epidemiology. Now the real handicap is that you cannot use sampling pumps, cassettes, tubes, or any of the media in your toolbox, and the whole concept of mass-to-dose is out the window, even at high exposure levels. Of course, by the title, you knew we were talking about nanomaterials (NM). However, we wonder how many IHs know that this topic takes everything you know about your profession and turns it upside down. It takes the very foundations that you worked so hard in college and in the field to master and pulls it out from underneath you. It even takes the gold standard of our profession, the quantitative science of exposure assessment, and makes it look pretty darn rusty. Now with NM there is the potential to get some aspect of quantitative measurements, but the instruments are generally very expensive and getting an appropriate workplace personal exposure measurement can be very difficult if not impossible. The potential for workers getting exposures, however, is very real, as evidenced by a recent publication reporting worker exposures to polyacrylate nanoparticles in a Chinese factory (Song et al. 2009). With something this complex and challenging, how does a concept as simple as Control Banding (CB) save the day? Although many IHs have heard of CB, most of their knowledge comes from its application in the COSHH Essentials toolkit. While there is conflicting published research on COSHH Essentials and its value for risk assessments, almost all of the experts agree that it can be useful when no OELs are available (Zalk and Nelson 2008). It is this aspect of CB, its utility with

  11. Modification in band gap of zirconium complexes

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Mayank, E-mail: mayank30134@gmail.com; Singh, J.; Chouhan, S. [Department of Physics, ISLE, IPS Academy, Indore (M.P.) (India); Mishra, A. [School of Physics, Devi Ahilya Vishwavidyalaya, Indore (M.P.) (India); Shrivastava, B. D. [Govt. P. G. College, Biora (M.P.) (India)

    2016-05-06

    The optical properties of zirconium complexes with amino acid based Schiff bases are reported here. The zirconium complexes show interesting stereo chemical features, which are applicable in organometallic and organic synthesis as well as in catalysis. The band gaps of both Schiff bases and zirconium complexes were obtained by UV-Visible spectroscopy. It was found that the band gap of zirconium complexes has been modified after adding zirconium compound to the Schiff bases.

  12. Theoretical Prediction of the Forming Limit Band

    International Nuclear Information System (INIS)

    Banabic, D.; Paraianu, L.; Vos, M.; Jurco, P.

    2007-01-01

    Forming Limit Band (FLB) is a very useful tool to improve the sheet metal forming simulation robustness. Until now, the study of the FLB was only experimental. This paper presents the first attempt to model the FLB. The authors have established an original method for predicting the two margins of the limit band. The method was illustrated on the AA6111-T43 aluminum alloy. A good agreement with the experiments has been obtained

  13. Theoretical Prediction of the Forming Limit Band

    Science.gov (United States)

    Banabic, D.; Vos, M.; Paraianu, L.; Jurco, P.

    2007-04-01

    Forming Limit Band (FLB) is a very useful tool to improve the sheet metal forming simulation robustness. Until now, the study of the FLB was only experimental. This paper presents the first attempt to model the FLB. The authors have established an original method for predicting the two margins of the limit band. The method was illustrated on the AA6111-T43 aluminum alloy. A good agreement with the experiments has been obtained.

  14. Home-use cancer detecting band aid

    Science.gov (United States)

    Zalevsky, Zeev; Rudnitsky, Arkady; Sheinman, Victor; Tzoy, Andrey; Toktosunov, Aitmamat; Adashov, Arkady

    2016-03-01

    In this paper we present a novel concept in which special band aid is developed for early detection of cancer. The band aid contains an array of micro needles with small detection array connected to each needle which inspects the color of the surface of the skin versus time after being pinched with the needles. We were able to show in pre-clinical trials that the color varies differently if the skin is close to tumor tissue.

  15. A superdeformed band in {sup 142}Sm

    Energy Technology Data Exchange (ETDEWEB)

    Hackman, G; Mullins, J M; Kuehner, J A; Prevost, D; Waddington, J C [McMaster Univ., Hamilton, ON (Canada). Dept. of Physics; Galindo-Uribarri, A; Janzen, V P; Radford, D C; Schmeing, N; Ward, D [Atomic Energy of Canada Ltd., Chalk River, ON (Canada). Chalk River Nuclear Labs.

    1992-08-01

    Observation of {gamma}-{gamma} coincidences from the reaction {sup 124}Sn({sup 24}Mg,6n){sup 142}Sm at 145 MeV indicates the existence of a rotational band with dynamic moment of inertia J{sup (2)} similar to that of the superdeformed band in the isotone {sup 143}Eu. This result is consistent with calculations predicting superdeformed structures in N = 80, Z {approx} 64 nuclei. (author). 8 refs., 4 figs.

  16. Planet Formation

    Science.gov (United States)

    Podolak, Morris

    2018-04-01

    Modern observational techniques are still not powerful enough to directly view planet formation, and so it is necessary to rely on theory. However, observations do give two important clues to the formation process. The first is that the most primitive form of material in interstellar space exists as a dilute gas. Some of this gas is unstable against gravitational collapse, and begins to contract. Because the angular momentum of the gas is not zero, it contracts along the spin axis, but remains extended in the plane perpendicular to that axis, so that a disk is formed. Viscous processes in the disk carry most of the mass into the center where a star eventually forms. In the process, almost as a by-product, a planetary system is formed as well. The second clue is the time required. Young stars are indeed observed to have gas disks, composed mostly of hydrogen and helium, surrounding them, and observations tell us that these disks dissipate after about 5 to 10 million years. If planets like Jupiter and Saturn, which are very rich in hydrogen and helium, are to form in such a disk, they must accrete their gas within 5 million years of the time of the formation of the disk. Any formation scenario one proposes must produce Jupiter in that time, although the terrestrial planets, which don't contain significant amounts of hydrogen and helium, could have taken longer to build. Modern estimates for the formation time of the Earth are of the order of 100 million years. To date there are two main candidate theories for producing Jupiter-like planets. The core accretion (CA) scenario supposes that any solid materials in the disk slowly coagulate into protoplanetary cores with progressively larger masses. If the core remains small enough it won't have a strong enough gravitational force to attract gas from the surrounding disk, and the result will be a terrestrial planet. If the core grows large enough (of the order of ten Earth masses), and the disk has not yet dissipated, then

  17. Band structures in near spherical 138Ce

    Science.gov (United States)

    Bhattacharjee, T.; Chanda, S.; Bhattacharyya, S.; Basu, S. K.; Bhowmik, R. K.; Das, J. J.; Pramanik, U. Datta; Ghugre, S. S.; Madhavan, N.; Mukherjee, A.; Mukherjee, G.; Muralithar, S.; Singh, R. P.

    2009-06-01

    The high spin states of N=80138Ce have been populated in the fusion evaporation reaction 130Te( 12C, 4n) 138Ce at E=65 MeV. The γ transitions belonging to various band structures were detected and characterized using an array of five Clover Germanium detectors. The level scheme has been established up to a maximum spin and excitation energy of 23 ℏ and 9511.3 keV, respectively, by including 53 new transitions. The negative parity ΔI=1 band, developed on the 6536.3 keV 15 level, has been conjectured to be a magnetic rotation band following a semiclassical analysis and comparing the systematics of similar bands in the neighboring nuclei. The said band is proposed to have a four quasiparticle configuration of [πgh]⊗[. Other band structures are interpreted in terms of multi-quasiparticle configurations, based on Total Routhian Surface (TRS) calculations. For the low and medium spin states, a shell model calculation using a realistic two body interaction has been performed using the code OXBASH.

  18. Electron correlations in narrow band systems

    International Nuclear Information System (INIS)

    Kishore, R.

    1983-01-01

    The effect of the electron correlations in narrow bands, such as d(f) bands in the transition (rare earth) metals and their compounds and the impurity bands in doped semiconductors is studied. The narrow band systems is described, by the Hubbard Hamiltonian. By proposing a local self-energy for the interacting electron, it is found that the results are exact in both atomic and band limits and reduce to the Hartree Fock results for U/Δ → 0, where U is the intra-atomic Coulomb interaction and Δ is the bandwidth of the noninteracting electrons. For the Lorentzian form of the density of states of the noninteracting electrons, this approximation turns out to be equivalent to the third Hubbard approximation. A simple argument, based on the mean free path obtained from the imaginary part of the self energy, shows how the electron correlations can give rise to a discontinous metal-nonmetal transition as proposed by Mott. The band narrowing and the existence of the satellite below the Fermi energy in Ni, found in photoemission experiments, can also be understood. (Author) [pt

  19. B(M1) values in the band-crossing of shears bands in 197Pb

    Science.gov (United States)

    Krücken, R.; Cooper, J. R.; Beausang, C. W.; Novak, J. R.; Dewald, A.; Klug, T.; Kemper, G.; von Brentano, P.; Carpenter, M.; Wiedenhöver, I.

    We present details of the band crossing mechanism of shears bands using the example of 197Pb. Absolute reduced matrix elements B(M1) were determined by means of a RDM lifetime measurement in one of the shears bands in 197Pb. The experiment was performed using the New Yale Plunger Device (NYPD) in conjunction with the Gammasphere array. Band mixing calculations on the basis of the semi-classical model of the shears mechanism are used to describe the transition matrix elements B(M1) and energies throughout the band-crossing regions. Good agreement with the data was obtained and the detailed composition of the states in the shears band are discussed.

  20. ISM band to U-NII band frequency transverter and method of frequency transversion

    Science.gov (United States)

    Stepp, Jeffrey David [Grandview, MO; Hensley, Dale [Grandview, MO

    2006-09-12

    A frequency transverter (10) and method for enabling bi-frequency dual-directional transfer of digitally encoded data on an RF carrier by translating between a crowded or otherwise undesirable first frequency band, such as the 2.4 GHz ISM band, and a less-crowded or otherwise desirable second frequency band, such as the 5.0 GHz 6.0 GHz U-NII band. In a preferred embodiment, the transverter (10) connects between an existing data radio (11) and its existing antenna (30), and comprises a bandswitch (12); an input RF isolating device (14); a transmuter (16); a converter (18); a dual output local oscillator (20); an output RF isolating device (22); and an antenna (24) tuned to the second frequency band. The bandswitch (12) allows for bypassing the transverter (10), thereby facilitating its use with legacy systems. The transmuter (14) and converter (16) are adapted to convert to and from, respectively, the second frequency band.

  1. Galaxy Formation

    CERN Document Server

    Longair, Malcolm S

    2008-01-01

    This second edition of Galaxy Formation is an up-to-date text on astrophysical cosmology, expounding the structure of the classical cosmological models from a contemporary viewpoint. This forms the background to a detailed study of the origin of structure and galaxies in the Universe. The derivations of many of the most important results are derived by simple physical arguments which illuminate the results of more advanced treatments. A very wide range of observational data is brought to bear upon these problems, including the most recent results from WMAP, the Hubble Space Telescope, galaxy surveys like the Sloan Digital Sky Survey and the 2dF Galaxy Redshift Survey, studies of Type 1a supernovae, and many other observations.

  2. Galaxy formation

    International Nuclear Information System (INIS)

    Gribbin, J.

    1979-01-01

    The current debate on the origin and evolution of galaxies is reviewed and evidence to support the so-called 'isothermal' and 'adiabatic' fluctuation models considered. It is shown that new theories have to explain the formation of both spiral and elliptical galaxies and the reason for their differences. It is stated that of the most recent models the best indicates that rotating spiral galaxies are formed naturally when gas concentrates in the centre of a great halo and forms stars while ellipticals are explained by later interactions between spiral galaxies and merging, which can cancel out the rotation while producing an elliptical galaxy in which the stars, coming from two original galaxies, follow very elliptical, anisotropic orbits. (UK)

  3. Habit formation.

    Science.gov (United States)

    Smith, Kyle S; Graybiel, Ann M

    2016-03-01

    Habits, both good ones and bad ones, are pervasive in animal behavior. Important frameworks have been developed to understand habits through psychological and neurobiological studies. This work has given us a rich understanding of brain networks that promote habits, and has also helped us to understand what constitutes a habitual behavior as opposed to a behavior that is more flexible and prospective. Mounting evidence from studies using neural recording methods suggests that habit formation is not a simple process. We review this evidence and take the position that habits could be sculpted from multiple dissociable changes in neural activity. These changes occur across multiple brain regions and even within single brain regions. This strategy of classifying components of a habit based on different brain signals provides a potentially useful new way to conceive of disorders that involve overly fixed behaviors as arising from different potential dysfunctions within the brain's habit network.

  4. Habit formation

    Science.gov (United States)

    Smith, Kyle S.; Graybiel, Ann M.

    2016-01-01

    Habits, both good ones and bad ones, are pervasive in animal behavior. Important frameworks have been developed to understand habits through psychological and neurobiological studies. This work has given us a rich understanding of brain networks that promote habits, and has also helped us to understand what constitutes a habitual behavior as opposed to a behavior that is more flexible and prospective. Mounting evidence from studies using neural recording methods suggests that habit formation is not a simple process. We review this evidence and take the position that habits could be sculpted from multiple dissociable changes in neural activity. These changes occur across multiple brain regions and even within single brain regions. This strategy of classifying components of a habit based on different brain signals provides a potentially useful new way to conceive of disorders that involve overly fixed behaviors as arising from different potential dysfunctions within the brain's habit network. PMID:27069378

  5. Pressure-induced colossal piezoresistance effect and the collapse of the polaronic state in the bilayer manganite (La0.4Pr0.6)1.2Sr1.8Mn2O7

    International Nuclear Information System (INIS)

    Thiyagarajan, R; Manivannan, N; Arumugam, S; Esakki Muthu, S; Tamilselvan, N R; Yoshino, H; Murata, K; Sekar, C; Apostu, M O; Suryanarayanan, R; Revcolevschi, A

    2012-01-01

    We have investigated the effect of hydrostatic pressure as a function of temperature on the resistivity of a single crystal of the bilayer manganite (La 0.4 Pr 0.6 ) 1.2 Sr 1.8 Mn 2 O 7 . Whereas a strong insulating behaviour is observed at all temperatures at ambient pressure, a clear transition into a metallic-like behaviour is induced when the sample is subjected to a pressure (P) of ∼1.0 GPa at T 6 in the low temperature region at moderate pressures is observed. When the pressure is increased further (5.5 GPa), the high temperature polaronic state disappears and a metallic behaviour is observed. The insulator to metal transition temperature exponentially increases with pressure and the distinct peak in the resistivity that is observed at 1.0 GPa almost vanishes for P > 7.0 GPa. A modification in the orbital occupation of the e g electron between 3d x 2 -y 2 and 3d z 2 -r 2 states, as proposed earlier, leading to a ferromagnetic double-exchange phenomenon, can qualitatively account for our data. (paper)

  6. Star Formation in Dusty Quasars

    Science.gov (United States)

    Lumsden, Stuart; Croom, Scott

    2012-04-01

    Quasar mode feedback is thought to be a crucial ingredient in galaxy formation for luminous merging and star-bursting systems at high redshift. The energy from the active nucleus should cause significant gas outflows, reducing the available free gas reservoir for future star formation. It is currently unknown which observational state best corresponds to the stage at which this "blowout" should occur. We intend to test one possible source population for this transition phase, by studying the molecular gas content in a small, statistically complete sample of 3 K-band selected reddened quasars from the AUS survey. All lie in the redshift range 2

  7. Band-gap and sub-band-gap photoelectrochemical processes at nanocrystalline CdS grown on ZnO by successive ionic layer adsorption and reaction method

    International Nuclear Information System (INIS)

    Malashchonak, M.V.; Streltsov, E.A.; Mazanik, A.V.; Kulak, A.I.; Poznyak, S.K.; Stroyuk, O.L.; Kuchmiy, S.Ya.; Gaiduk, P.I.

    2015-01-01

    Cadmium sulfide nanoparticle (NP) deposition by the successive ionic layer adsorption and reaction (SILAR) method on the surface of mesoporous ZnO micro-platelets with a large specific surface area (110 ± 10 m 2 g −1 ) results in the formation of ZnO/CdS heterostructures exhibiting a high incident photon-to-current conversion efficiency (Y) not only within the region of CdS fundamental absorption (Y max = 90%; 0.1 M Na 2 S + 0.1 M Na 2 SO 3 ), but also in the sub-band-gap (SBG) range (Y max = 25%). The onset potentials of SBG photoelectrochemical processes are more positive than the band-gap (BG) onset potential by up to 100 mV. A maximum incident photon-to-current conversion efficiency value for SBG processes is observed at larger amount of deposited CdS in comparison with the case of BG ones. The Urbach energy (E U ) of CdS NPs determined from the photocurrent spectra reaches a maximal value on an early deposition stage (E U = 93 mV at SILAR cycle number N = 5), then lowers somewhat (E U = 73 mV at N = 10) and remains steady in the range of N from 20 to 300 (E U = 67 ± 1 mV). High efficiency of the photoelectrochemical SBG processes are interpreted in terms of light scattering in the ZnO/CdS heterostructures. - Highlights: • ZnO/CdS films demonstrate high quantum efficiency (25%) for sub-band-gap transitions. • Onset photocurrent potentials for sub-band-gap processes differ than those for band-gap ones. • Sub-band-gap transitions are caused by band-tail states in CdS nanoparticles

  8. Band-gap and sub-band-gap photoelectrochemical processes at nanocrystalline CdS grown on ZnO by successive ionic layer adsorption and reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Malashchonak, M.V., E-mail: che.malasche@gmail.com [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Streltsov, E.A., E-mail: streltea@bsu.by [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Mazanik, A.V. [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Kulak, A.I., E-mail: kulak@igic.bas-net.by [Institute of General and Inorganic Chemistry, National Academy of Sciences of Belarus, Surganova str., 9/1, Minsk 220072 (Belarus); Poznyak, S.K. [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Stroyuk, O.L., E-mail: stroyuk@inphyschem-nas.kiev.ua [L.V. Pysarzhevsky Institute of Physical Chemistry of National Academy of Sciences of Ukraine, 31 prosp. Nauky, 03028 Kyiv (Ukraine); Kuchmiy, S.Ya. [L.V. Pysarzhevsky Institute of Physical Chemistry of National Academy of Sciences of Ukraine, 31 prosp. Nauky, 03028 Kyiv (Ukraine); Gaiduk, P.I. [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus)

    2015-08-31

    Cadmium sulfide nanoparticle (NP) deposition by the successive ionic layer adsorption and reaction (SILAR) method on the surface of mesoporous ZnO micro-platelets with a large specific surface area (110 ± 10 m{sup 2}g{sup −1}) results in the formation of ZnO/CdS heterostructures exhibiting a high incident photon-to-current conversion efficiency (Y) not only within the region of CdS fundamental absorption (Y{sub max} = 90%; 0.1 M Na{sub 2}S + 0.1 M Na{sub 2}SO{sub 3}), but also in the sub-band-gap (SBG) range (Y{sub max} = 25%). The onset potentials of SBG photoelectrochemical processes are more positive than the band-gap (BG) onset potential by up to 100 mV. A maximum incident photon-to-current conversion efficiency value for SBG processes is observed at larger amount of deposited CdS in comparison with the case of BG ones. The Urbach energy (E{sub U}) of CdS NPs determined from the photocurrent spectra reaches a maximal value on an early deposition stage (E{sub U} = 93 mV at SILAR cycle number N = 5), then lowers somewhat (E{sub U} = 73 mV at N = 10) and remains steady in the range of N from 20 to 300 (E{sub U} = 67 ± 1 mV). High efficiency of the photoelectrochemical SBG processes are interpreted in terms of light scattering in the ZnO/CdS heterostructures. - Highlights: • ZnO/CdS films demonstrate high quantum efficiency (25%) for sub-band-gap transitions. • Onset photocurrent potentials for sub-band-gap processes differ than those for band-gap ones. • Sub-band-gap transitions are caused by band-tail states in CdS nanoparticles.

  9. Particle Simulation of Oxidation Induced Band 3 Clustering in Human Erythrocytes.

    Directory of Open Access Journals (Sweden)

    Hanae Shimo

    2015-06-01

    Full Text Available Oxidative stress mediated clustering of membrane protein band 3 plays an essential role in the clearance of damaged and aged red blood cells (RBCs from the circulation. While a number of previous experimental studies have observed changes in band 3 distribution after oxidative treatment, the details of how these clusters are formed and how their properties change under different conditions have remained poorly understood. To address these issues, a framework that enables the simultaneous monitoring of the temporal and spatial changes following oxidation is needed. In this study, we established a novel simulation strategy that incorporates deterministic and stochastic reactions with particle reaction-diffusion processes, to model band 3 cluster formation at single molecule resolution. By integrating a kinetic model of RBC antioxidant metabolism with a model of band 3 diffusion, we developed a model that reproduces the time-dependent changes of glutathione and clustered band 3 levels, as well as band 3 distribution during oxidative treatment, observed in prior studies. We predicted that cluster formation is largely dependent on fast reverse reaction rates, strong affinity between clustering molecules, and irreversible hemichrome binding. We further predicted that under repeated oxidative perturbations, clusters tended to progressively grow and shift towards an irreversible state. Application of our model to simulate oxidation in RBCs with cytoskeletal deficiency also suggested that oxidation leads to more enhanced clustering compared to healthy RBCs. Taken together, our model enables the prediction of band 3 spatio-temporal profiles under various situations, thus providing valuable insights to potentially aid understanding mechanisms for removing senescent and premature RBCs.

  10. Particle Simulation of Oxidation Induced Band 3 Clustering in Human Erythrocytes.

    Science.gov (United States)

    Shimo, Hanae; Arjunan, Satya Nanda Vel; Machiyama, Hiroaki; Nishino, Taiko; Suematsu, Makoto; Fujita, Hideaki; Tomita, Masaru; Takahashi, Koichi

    2015-06-01

    Oxidative stress mediated clustering of membrane protein band 3 plays an essential role in the clearance of damaged and aged red blood cells (RBCs) from the circulation. While a number of previous experimental studies have observed changes in band 3 distribution after oxidative treatment, the details of how these clusters are formed and how their properties change under different conditions have remained poorly understood. To address these issues, a framework that enables the simultaneous monitoring of the temporal and spatial changes following oxidation is needed. In this study, we established a novel simulation strategy that incorporates deterministic and stochastic reactions with particle reaction-diffusion processes, to model band 3 cluster formation at single molecule resolution. By integrating a kinetic model of RBC antioxidant metabolism with a model of band 3 diffusion, we developed a model that reproduces the time-dependent changes of glutathione and clustered band 3 levels, as well as band 3 distribution during oxidative treatment, observed in prior studies. We predicted that cluster formation is largely dependent on fast reverse reaction rates, strong affinity between clustering molecules, and irreversible hemichrome binding. We further predicted that under repeated oxidative perturbations, clusters tended to progressively grow and shift towards an irreversible state. Application of our model to simulate oxidation in RBCs with cytoskeletal deficiency also suggested that oxidation leads to more enhanced clustering compared to healthy RBCs. Taken together, our model enables the prediction of band 3 spatio-temporal profiles under various situations, thus providing valuable insights to potentially aid understanding mechanisms for removing senescent and premature RBCs.

  11. Excited negative parity bands in 160Yb

    Science.gov (United States)

    Saha, A.; Bhattacharjee, T.; Curien, D.; Dedes, I.; Mazurek, K.; Banerjee, S. R.; Rajbanshi, S.; Bisoi, A.; de Angelis, G.; Bhattacharya, Soumik; Bhattacharyya, S.; Biswas, S.; Chakraborty, A.; Das Gupta, S.; Dey, B.; Goswami, A.; Mondal, D.; Pandit, D.; Palit, R.; Roy, T.; Singh, R. P.; Saha Sarkar, M.; Saha, S.; Sethi, J.

    2018-03-01

    Negative parity rotational bands in {} 70160Yb{}90 nucleus have been studied. They were populated in the 148Sm(16O, 4n)160Yb reaction at 90 MeV. The gamma-coincidence data have been collected using Indian National Gamma Array composed of twenty Compton suppressed clover germanium (Ge) detectors. Double gating on triple gamma coincidence data were selectively used to develop the decay scheme for these negative parity bands by identifying and taking care of the multiplet transitions. The even- and odd-spin negative parity bands in 160Yb have been studied by comparing the reduced transition probability ratios with the similar bands in neighbouring even-even rare earth nuclei. It is concluded that the concerned odd-spin and even-spin bands are not signature partners and that their structures are compatible with those of the ‘pear-shape’ and ‘pyramid-shape’ oscillations, respectively, the octupole shapes superposed with the quadrupole shape of the ground-state.

  12. Predictors of Pericardial Effusion in Patients Undergoing Pulmonary Artery Banding.

    Science.gov (United States)

    Noma, Mio; Matsubara, Muneaki; Tokunaga, Chiho; Nakajima, Tomomi; Mathis, Bryan James; Sakamoto, Hiroaki; Hiramatsu, Yuji

    2018-03-01

    Although pulmonary artery banding (PAB) is a common palliative procedure for pediatric heart malformation, there are concerns of pressure overload and concomitant immune reactions in the right ventricle causing postsurgical complications such as pericardial effusion. At this time, no clear guidelines as to potential risk factors or procedural contraindications have been widely disseminated. Therefore, a study was undertaken to examine wide-ranging factors to find potential biomarkers for postsurgical pericardial effusion formation risk. A retrospective study was conducted on all cardiac surgeries performed over an eight-year period, and the main inclusion criterion was pericardial effusion development after PAB that required surgical drainage. Nine cases were then analyzed against a control group of 45 cases with respect to body measurements, concomitant surgeries, genetic screens, laboratory tests results, and cardiac function parameters. Trisomy 21 was strongly associated with the development of severe pericardial effusion after PAB, and postoperative serum albumin levels in patients with trisomy 21 were associated with pericardial effusion development. Other parameters showed no significant correlation with pericardial effusion development. Our data indicate a strong association between trisomy 21 and pericardial effusion requiring drainage after PAB, which is in line with translational research findings. Pressure overload from PAB may play a role in the formation of severe pericardial effusion that is exacerbated by cardiac structural defects commonly associated with trisomy 21. Surgical teams should therefore use caution and plan to implement drainage in PAB cases, and postoperative serum albumin may serve as a useful biomarker for pericardial effusion formation.

  13. Photoelectrochemical properties and band structure of oxide films on zirconium-transition metal alloys

    International Nuclear Information System (INIS)

    Takahashi, Kazuo; Uno, Masayoshi; Okui, Mihoko; Yamanaka, Shinsuke

    2006-01-01

    The microalloying effects of 4d and 5d transition metals, M (M: Nb, Mo, Ta, W) on the photoelectrochemical properties, the flat band potential (U fb ) and the band gap energy (E g ), for zirconium oxide films were investigated by photoelectrochemical measurements and band calculation. Button ingots of zirconium-5 mol% M (M: Nb, Mo, Ta, W) were made from high-purity metals (99.9% purity) by arc melting in a purified argon atmosphere. These plate specimens were sealed into silica tubes in vacuum, and then homogenized at 1273 K for 24 h. Subsequently, these specimens were oxidized up to 1173 K. The photocurrent of each specimen was evaluated at room temperature under the irradiation of Xe lamp (500 W) through grating monochrometer and cut-off filter. 0.1 M Na 2 SO 4 solution was used as the electrolyte. The value of the flat band potential was higher and the value of the band gap energy was smaller than that of pure zirconium oxide film in all sample. It was found from the calculation by CASTEP code that the decreases in band gap energy of these oxide films was due to formation of 4d or 5d orbital of transition metals

  14. Spectroscopic evidence for 5f bands at room temperature in uranium-based heavy fermions

    International Nuclear Information System (INIS)

    Arko, A.J.; Koelling, D.D.; Dunlap, B.D.; Capasso, C.; del Giudice, M.

    1988-01-01

    We present data on the alloy system UPd/sub 3-x/Pt/sub x/ and show that in the double hexagonal phase (x 2.4) as well, except that the low-binding energy feature is locked in at E/sub F/ and shows evidence of energy dispersion at room temperature/endash/consistent with well-defined bands. Conversely, we show that even in well-behaved narrow band systems (USn 3 there is evidence for satellite formation. 44 refs., 8 figs

  15. Defect-band mediated ferromagnetism in Gd-doped ZnO thin films

    KAUST Repository

    Venkatesh, S.

    2015-01-07

    Gd-doped ZnO thin films prepared by pulsed laser deposition with Gd concentrations varying from 0.02–0.45 atomic percent (at. %) showed deposition oxygen pressure controlled ferromagnetism. Thin films prepared with Gd dopant levels (band formed due to oxygen deficiency related defect complexes. Mott\\'s theory of variable range of hopping conduction confirms the formation of the impurity/defect band near the Fermi level.

  16. Photolysis mechanism of aqueous tyrosine upon excitation of the second absorption band

    International Nuclear Information System (INIS)

    Shimizu, O.

    1984-01-01

    The formation mechanism of tyrosinyl radical was studied for aqueous solutions of tyrosine under irradiation at 235 nm which falls into the second absorption band. The work is based upon the analysis of the rate of bityrosine production for steady-state excitation at low intensity. The results indicate that monophotonic O-H bond cleavage of tyrosine, presumably involving the upper excited triplet state, is the initial photoprocess leading to the tyrosinyl radical when tyrosine is excited into the second absorption band. (author)

  17. Band gaps for the relativistic Mathieu potential

    International Nuclear Information System (INIS)

    Clerk, G.J.; McKellar, B.H.J.

    1992-01-01

    A study of the band structure of a massless particle in a cosine potential is made via the Dirac equation. It is shown that every alternate band gap disappears as a consequence of a periodicity of the potential combined with a peculiar symmetry of the Dirac equation. This basic potential is then used to study a simple one-dimensional model of the nucleus from which it is ascertained that modelling the mean field of the quarks in the nucleus via a pure scalar potential is unsatisfactory. A simple extension involving a combined scalar and vector potential is then proposed as a possible solution to this problem. The effect of the addition of this vector component to the band structure is also investigated. 32 refs

  18. Some general constraints on identical band symmetries

    International Nuclear Information System (INIS)

    Guidry, M.W.; Strayer, M.R.; Wu, C.; Feng, D.H.

    1993-01-01

    We argue on general grounds that nearly identical bands observed for superdeformation and less frequently for normal deformation must be explicable in terms of a symmetry having a microscopic basis. We assume that the unknown symmetry is associated with a Lie algebra generated by terms bilinear in fermion creation and annihilation operators. Observed features of these bands and the general properties of Lie groups are then used to place constraints on acceptable algebras. Additional constraints are placed by assuming that the collective spectrum is associated with a dynamical symmetry, and examining the subgroup structure required by phenomenology. We observe that requisite symmetry cannot be unitary, and that the simplest known group structures consistent with these minimal criteria are associated with the Ginocchio algebras employed in the fermion dynamical symmetry model. However, our arguments are general in nature, and we propose that they imply model-independent constraints on any candidate explanation for identical bands

  19. Simplicial band depth for multivariate functional data

    KAUST Repository

    López-Pintado, Sara

    2014-03-05

    We propose notions of simplicial band depth for multivariate functional data that extend the univariate functional band depth. The proposed simplicial band depths provide simple and natural criteria to measure the centrality of a trajectory within a sample of curves. Based on these depths, a sample of multivariate curves can be ordered from the center outward and order statistics can be defined. Properties of the proposed depths, such as invariance and consistency, can be established. A simulation study shows the robustness of this new definition of depth and the advantages of using a multivariate depth versus the marginal depths for detecting outliers. Real data examples from growth curves and signature data are used to illustrate the performance and usefulness of the proposed depths. © 2014 Springer-Verlag Berlin Heidelberg.

  20. Exact folded-band chaotic oscillator.

    Science.gov (United States)

    Corron, Ned J; Blakely, Jonathan N

    2012-06-01

    An exactly solvable chaotic oscillator with folded-band dynamics is shown. The oscillator is a hybrid dynamical system containing a linear ordinary differential equation and a nonlinear switching condition. Bounded oscillations are provably chaotic, and successive waveform maxima yield a one-dimensional piecewise-linear return map with segments of both positive and negative slopes. Continuous-time dynamics exhibit a folded-band topology similar to Rössler's oscillator. An exact solution is written as a linear convolution of a fixed basis pulse and a discrete binary sequence, from which an equivalent symbolic dynamics is obtained. The folded-band topology is shown to be dependent on the symbol grammar.