WorldWideScience

Sample records for band structure comparison

  1. Comparison and fit of the two and six band k.p models for the band edge structure of Pbsub(1-x)Snsub(x)Te

    International Nuclear Information System (INIS)

    The band edge structure of Pbsub(1-x)Snsub(x)Te is derived in detail using a two band ellipsoidal model and compared with a more rigorous calculation based on six bands. A quantitative comparison is made for two values of the energy gap, corresponding to the cases where x=0 and x=0.17. It was found that, for the occupied states in nondegenerate materials, both models are practically equivalent. Discrepancies may occur only in high degeneracies or deep inversion layers. The agreement between both models was significantly improved by introducing an effective energy gap in the two band model. It is suggested that the use of the effective energy gap may improve the agreement between the two band model and experiment whenever the details of the band edge structure enter the interpretation of the experimental results. (author)

  2. 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

  3. Microstrip microwave band gap structures

    Indian Academy of Sciences (India)

    V Subramanian

    2008-04-01

    Microwave band gap structures exhibit certain stop band characteristics based on the periodicity, impedance contrast and effective refractive index contrast. These structures though formed in one-, two- and three-dimensional periodicity, are huge in size. In this paper, microstrip-based microwave band gap structures are formed by removing the substrate material in a periodic manner. This paper also demonstrates that these structures can serve as a non-destructive characterization tool for materials, a duplexor and frequency selective coupler. The paper presents both experimental results and theoretical simulation based on a commercially available finite element methodology for comparison.

  4. Comprehensive comparison and experimental validation of band-structure calculation methods in III-V semiconductor quantum wells

    Science.gov (United States)

    Zerveas, George; Caruso, Enrico; Baccarani, Giorgio; Czornomaz, Lukas; Daix, Nicolas; Esseni, David; Gnani, Elena; Gnudi, Antonio; Grassi, Roberto; Luisier, Mathieu; Markussen, Troels; Osgnach, Patrik; Palestri, Pierpaolo; Schenk, Andreas; Selmi, Luca; Sousa, Marilyne; Stokbro, Kurt; Visciarelli, Michele

    2016-01-01

    We present and thoroughly compare band-structures computed with density functional theory, tight-binding, k · p and non-parabolic effective mass models. Parameter sets for the non-parabolic Γ, the L and X valleys and intervalley bandgaps are extracted for bulk InAs, GaAs and InGaAs. We then consider quantum-wells with thickness ranging from 3 nm to 10 nm and the bandgap dependence on film thickness is compared with experiments for In0.53Ga0.47 As quantum-wells. The impact of the band-structure on the drain current of nanoscale MOSFETs is simulated with ballistic transport models, the results provide a rigorous assessment of III-V semiconductor band structure calculation methods and calibrated band parameters for device simulations.

  5. A Comparison of the Valence Band Structure of Bulk and Epitaxial GeTe-based Diluted Magnetic Semiconductors

    International Nuclear Information System (INIS)

    In this work we present a comparison of the experimental results, which have been obtained by the resonant photoelectron spectroscopy for a set of selected diluted magnetic semiconductors based on GeTe, doped with manganese. The photoemission spectra are acquired for the photon energy range of 40-60 eV, corresponding to the Mn 3p → 3d resonances. The spectral features related to Mn 3d states are revealed in the emission from the valence band. The Mn 3d states contribution manifests itself in the whole valence band with a maximum at the binding energy of 3.8 eV. (authors)

  6. Band structure and nuclear dynamics

    International Nuclear Information System (INIS)

    The relation between the Variable Moment of Inertia model and the Interacting Boson Model are discussed from a phenomenological viewpoint. New results on ground state mean-square radii in nuclei far from stability are reported, and a discussion of band structure extending to high angular momentum states and methods of extracting information on the underlying dynamics is given

  7. Band structure of 158Gd in DPPQ and IBM

    International Nuclear Information System (INIS)

    The band structure of 158Gd has been studied extensively in the decay of 158Eu and in reaction work. The Kumar-Baranger semimicroscopic DPPQ model yields the parameters of the collective Hamiltonian and predicts the band structure. The Interacting Boson Model (IBM-1) was also used for comparison

  8. 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.

  9. 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...

  10. Band structure of 79Br

    International Nuclear Information System (INIS)

    High-spin states of 79Br have been studied in the reaction 76Ge(7Li, 4nγ) at 32 MeV. A gamma-detector array with twelve Compton-suppressed HPGe detectors was used. The positive-parity yrast states, interpreted as a rotationally aligned g(9(2)) proton band, and the negative-parity ground state band have been extended to spins of (33(2+)) and (25(2-)), respectively. Lifetime measurements indicate that both bands have a similar quadrupole deformation of β2 ∼ 0.2. The positive-parity α = -(1(2)) band has been identified. Several new inter-band transitions are observed. A cranked-shell model analysis shows that the νg(9(2)) and πg(9(2)) alignments occur in the positive-parity and the negative-parity bands at rotational frequencies of ℎω ∼ 0.6 and 0.4 MeV, respectively. The level energies and the electromagnetic properties of the g(9(2)) band can be well reproduced by a particle-rotor model calculation with an axially symmetric core

  11. Maximizing band gaps in plate structures

    DEFF Research Database (Denmark)

    Halkjær, Søren; Sigmund, Ole; Jensen, Jakob Søndergaard

    2006-01-01

    Band gaps, i.e., frequency ranges in which waves cannot propagate, can be found in elastic structures for which there is a certain periodic modulation of the material properties or structure. In this paper, we maximize the band gap size for bending waves in a Mindlin plate. We analyze an infinite...

  12. Band structures and localization properties of aperiodic layered phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yan Zhizhong, E-mail: zzyan@bit.edu.cn [Department of Applied Mathematics, Beijing Institute of Technology, Beijing 100081 (China); Zhang Chuanzeng [Department of Civil Engineering, University of Siegen, D-57078 Siegen (Germany)

    2012-03-15

    The band structures and localization properties of in-plane elastic waves with coupling of longitudinal and transverse modes oblique propagating in aperiodic phononic crystals based on Thue-Morse and Rudin-Shapiro sequences are studied. Using transfer matrix method, the concept of the localization factor is introduced and the correctness is testified through the Rytov dispersion relation. For comparison, the perfect periodic structure and the quasi-periodic Fibonacci system are also considered. In addition, the influences of the random disorder, local resonance, translational and/or mirror symmetries on the band structures of the aperiodic phononic crystals are analyzed in this paper.

  13. One-Dimensional Anisotropic Band Gap Structure

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The band gap structure of one-dimensional anisotropic photonic crystal has been studied by means of the transfer matrix formalism. From the analytic expressions and numeric calculations we see some general characteristics of the band gap structure of anisotropic photonic crystals, each band separates into two branches and the two branches react to polarization sensitively. In the practical case of oblique incidence, gaps move towards high frequency when the angle of incidence increases. Under some special conditions, the two branches become degenerate again.

  14. Phononic band gap structures as optimal designs

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Sigmund, Ole

    2003-01-01

    In this paper we use topology optimization to design phononic band gap structures. We consider 2D structures subjected to periodic loading and obtain the distribution of two materials with high contrast in material properties that gives the minimal vibrational response of the structure. Both in...

  15. Electronic band structure of beryllium oxide

    CERN Document Server

    Sashin, V A; Kheifets, A S; Ford, M J

    2003-01-01

    The energy-momentum resolved valence band structure of beryllium oxide has been measured by electron momentum spectroscopy (EMS). Band dispersions, bandwidths and intervalence bandgap, electron momentum density (EMD) and density of occupied states have been extracted from the EMS data. The experimental results are compared with band structure calculations performed within the full potential linear muffin-tin orbital approximation. Our experimental bandwidths of 2.1 +- 0.2 and 4.8 +- 0.3 eV for the oxygen s and p bands, respectively, are in accord with theoretical predictions, as is the s-band EMD after background subtraction. Contrary to the calculations, however, the measured p-band EMD shows large intensity at the GAMMA point. The measured full valence bandwidth of 19.4 +- 0.3 eV is at least 1.4 eV larger than the theory. The experiment also finds a significantly higher value for the p-to-s-band EMD ratio in a broad momentum range compared to the theory.

  16. Development of S-band accelerating structure

    International Nuclear Information System (INIS)

    In Pohang Accelerator Laboratory (PAL) in Korea construction of XFEL (X-ray Free electron Lazar) institution is under construction aiming at the completion in 2014. Energy 10 GeV of the linac part of this institution and main frequency are planned in S-band (2856 MHz), and about 178 S-band 3m accelerating structures are due to be used for this linac. The oscillation of an X-ray laser requires very low emittance electron beam. On the other hand, since the accelerating structure which accelerates an electron beam has a feed port of microwave (iris), the electromagnetic field asymmetry of the microwave feeding device called coupler worsens the emittance of an electron beam. MHI manufactured two kinds of S-band accelerating structures with which the electromagnetic field asymmetry of coupler cavity was compensated for PALXFEL linac. We report these accelerating structures. (author)

  17. Band Structure Based Analysis of Certain Photonic Crystal Structures

    OpenAIRE

    Wolff, Christian

    2011-01-01

    Photonic crystals are periodic dielectric structures that may exhibit a complete photonic band gap. First, I discuss geometric properties of the band structure such as band edges. In a second part, I present work on photonic Wannier functions and their use for solving the wave equation. The third part is devoted to applications of the presented methods: A polarization resolved transmission experiment of opel films and an analogy experiment for spontaneous emission inside a photonic crystal.

  18. Band structures of 121,123I

    International Nuclear Information System (INIS)

    The band structures of 121,123I nuclei have been studied using a version of the particle-rotor-model in which the experimental excitation energies of the neighbouring (A-1) cores can be fed directly as input parameters. The calculations have been carried out with axially symmetric Nilsson potential with both prolate and oblate deformations. The parameters of the model have been chosen from earlier theoretical work and experimental odd-even mass differences. Only the Coriolis attenuation factor has been treated as adjustable parameter. The theoretical band structures are in very good agreement with the available experimental data. (orig.)

  19. Band structure engineering in organic semiconductors.

    Science.gov (United States)

    Schwarze, Martin; Tress, Wolfgang; Beyer, Beatrice; Gao, Feng; Scholz, Reinhard; Poelking, Carl; Ortstein, Katrin; Günther, Alrun A; Kasemann, Daniel; Andrienko, Denis; Leo, Karl

    2016-06-17

    A key breakthrough in modern electronics was the introduction of band structure engineering, the design of almost arbitrary electronic potential structures by alloying different semiconductors to continuously tune the band gap and band-edge energies. Implementation of this approach in organic semiconductors has been hindered by strong localization of the electronic states in these materials. We show that the influence of so far largely ignored long-range Coulomb interactions provides a workaround. Photoelectron spectroscopy confirms that the ionization energies of crystalline organic semiconductors can be continuously tuned over a wide range by blending them with their halogenated derivatives. Correspondingly, the photovoltaic gap and open-circuit voltage of organic solar cells can be continuously tuned by the blending ratio of these donors. PMID:27313043

  20. Design of smooth orthogonal wavelets with beautiful structure from 2-band to 4-band

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A complete algorithm to design 4-band orthogonal wavelets with beautiful structure from 2-band orthogonal wavelets is presented. For more smoothness, the conception of transfer vanishing moment is introduced by transplanting the requirements of vanishing moment from the 4-band wavelets to the 2-band ones. Consequently, the design of 4-band orthogonal wavelets with P vanishing moments and beautiful structure from 2-band ones with P transfer vanishing moments is completed.

  1. High spin band structure in 139Nd

    Institute of Scientific and Technical Information of China (English)

    XU Qiang; ZHU Sheng-Jiang; CHE Xing-Lai; DING Huai-Bo; GU Long; ZHU Li-Hua; WU Xiao-Guang; LIU Ying; HE Chuang-Ye; LI Li-Hua; PAN Bo; HAO Xin; LI Guang-Sheng

    2009-01-01

    High-spin states in 139Nd nucleus have been reinvestigated with the reaction 128Te (16O, 5n) at a beam energy of 90 MeV. The level scheme has been expanded with spin up to 47/2 h. At the low spin states,the yrast collective structure built on the vh(-1)(11/2) multiplet shows a transitional shape with γ≈32° according to calculations of the triaxial rotor-plus-particle model. Three collective oblate bands with γ~-60° at the high spin states were identified for the first time. A band crossing is observed around hw ~0.4 MeV in one oblate band based on the 25/2- level.

  2. The band-gap enhanced photovoltaic structure

    Science.gov (United States)

    Tessler, Nir

    2016-05-01

    We critically examine the recently suggested structure that was postulated to potentially add 50% to the photo-conversion efficiency of organic solar cells. We find that the structure could be realized using stepwise increase in the gap as long as the steps are not above 0.1 eV. We also show that the charge extraction is not compromised due to an interplay between the contact's space charge and the energy level modification, which result in a flat energy band at the extracting contact.

  3. New linear accelerator (Linac) design based on C-band accelerating structures for SXFEL facility

    Institute of Scientific and Technical Information of China (English)

    ZHANG Meng; GU Qiang

    2011-01-01

    A C-band accelerator structure is one promising technique for a compact XFEL facility.It is also attractive in beam dynamics in maintaining a high quality electron beam,which is an important factor in the performance of a free electron laser.In this paper,a comparison between traditional S-band and C-band accelerating structures is made based on the linac configuration of a Shanghai Soft X-ray Free Electron Laser (SXFEL) facility.Throughout the comprehensive simulation,we conclude that the C-band structure is much more competitive.

  4. Electronic band structures of binary skutterudites

    International Nuclear Information System (INIS)

    The electronic properties of complex binary skutterudites, MX3 (M = Co, Rh, Ir; X = P, As, Sb) are explored, using various density functional theory (DFT) based theoretical approaches including Green's Function (GW) as well as regular and non-regular Tran Blaha modified Becke Jhonson (TB-mBJ) methods. The wide range of calculated bandgap values for each compound of this skutterudites family confirm that they are theoretically as challenging as their experimental studies. The computationally expensive GW method, which is generally assume to be efficient in the reproduction of the experimental bandgaps, is also not very successful in the calculation of bandgaps. In this article, the issue of the theoretical bandgaps of these compounds is resolved by reproducing the accurate experimental bandgaps, using the recently developed non-regular TB-mBJ approach, based on DFT. The effectiveness of this technique is due to the fact that a large volume of the binary skutterudite crystal is empty and hence quite large proportion of electrons lie outside of the atomic spheres, where unlike LDA and GGA which are poor in the treatment of these electrons, this technique properly treats these electrons and hence reproduces the clear electronic picture of these compounds. - Highlights: • Theoretical and experimental electronic band structures of binary skutterudites are reviewed. • The literature reveals that none of the existing theoretical results are consistent with the experiments. • GW, regular and non-regular TB-mBJ methods are used to reproduce the correct results. • The GW and regular TB-mBJ results are better than the available results in literature. • However, non-regular TB-mBJ reproduces the correct experimental band structures

  5. Electronic band structures of binary skutterudites

    Energy Technology Data Exchange (ETDEWEB)

    Khan, Banaras [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Aliabad, H.A. Rahnamaye [Department of Physics, Hakim Sabzevari University, Sabzevar (Iran, Islamic Republic of); Saifullah [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Jalali-Asadabadi, S. [Department of Physics, Faculty of Science, University of Isfahan (UI), 81744 Isfahan (Iran, Islamic Republic of); Khan, Imad [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Ahmad, Iftikhar, E-mail: ahma5532@gmail.com [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan)

    2015-10-25

    The electronic properties of complex binary skutterudites, MX{sub 3} (M = Co, Rh, Ir; X = P, As, Sb) are explored, using various density functional theory (DFT) based theoretical approaches including Green's Function (GW) as well as regular and non-regular Tran Blaha modified Becke Jhonson (TB-mBJ) methods. The wide range of calculated bandgap values for each compound of this skutterudites family confirm that they are theoretically as challenging as their experimental studies. The computationally expensive GW method, which is generally assume to be efficient in the reproduction of the experimental bandgaps, is also not very successful in the calculation of bandgaps. In this article, the issue of the theoretical bandgaps of these compounds is resolved by reproducing the accurate experimental bandgaps, using the recently developed non-regular TB-mBJ approach, based on DFT. The effectiveness of this technique is due to the fact that a large volume of the binary skutterudite crystal is empty and hence quite large proportion of electrons lie outside of the atomic spheres, where unlike LDA and GGA which are poor in the treatment of these electrons, this technique properly treats these electrons and hence reproduces the clear electronic picture of these compounds. - Highlights: • Theoretical and experimental electronic band structures of binary skutterudites are reviewed. • The literature reveals that none of the existing theoretical results are consistent with the experiments. • GW, regular and non-regular TB-mBJ methods are used to reproduce the correct results. • The GW and regular TB-mBJ results are better than the available results in literature. • However, non-regular TB-mBJ reproduces the correct experimental band structures.

  6. A Theoretical Structure of High School Concert Band Performance

    Science.gov (United States)

    Bergee, Martin J.

    2015-01-01

    This study used exploratory (EFA) and confirmatory factor analysis (CFA) to verify a theoretical structure for high school concert band performance and to test that structure for viability, generality, and invariance. A total of 101 university students enrolled in two different bands rated two high school band performances (a "first"…

  7. Band-Structure of Thallium by the LMTO Method

    DEFF Research Database (Denmark)

    Holtham, P. M.; Jan, J. P.; Skriver, Hans Lomholt

    1977-01-01

    The relativistic band structure of thallium has been calculated using the linear muffin-tin orbital (LMTO) method. The positions and extents of the bands were found to follow the Wigner-Seitz rule approximately, and the origin of the dispersion of the bands was established from the canonical s and...

  8. Kink Band Instability and Propagation in Layered Structures

    NARCIS (Netherlands)

    Wadee, M.A.; Hunt, G.W.; Peletier, M.A.

    2003-01-01

    A recent two-dimensional prototype model for the initiation of kink banding in compressed layered structures is extended to embrace the two propagation mechanisms of band broadening and band progression. As well as interlayer friction, overburden pressure and layer bending energy, the characteristic

  9. Dual-band electromagnetic band gap structure for noise isolation in mixed signal SiP

    OpenAIRE

    Rotaru, M. D.; Sykulski, J. K.

    2010-01-01

    A compact dual-band electromagnetic band-gap (EBG) structure is proposed. It is shown through numerical simulation using 3D electromagnetic finite element modelling that by adding a slit to the classical mushroom shape an extra resonance is introduced and thus dual-band EBG structures can be built by cascading these new elements. It is also demonstrated that this novel approach can be used to isolate noise in a system such as a dual band transceiver integrated into a mixed signal system in a ...

  10. Elucidating the stop bands of structurally colored systems through recursion

    CERN Document Server

    Amir, Ariel

    2012-01-01

    Interference phenomena are the source of some of the spectacular colors of animals and plants in nature. In some of these systems, the physical structure consists of an ordered array of layers with alternating high and low refractive indices. This periodicity leads to an optical band structure that is analogous to the electronic band structure encountered in semiconductor physics; namely, specific bands of wavelengths (the stop bands) are perfectly reflected. Here, we present a minimal model for optical band structure in a periodic multilayer and solve it using recursion relations. We present experimental data for various beetles, whose optical structure resembles the proposed model. The stop bands emerge in the limit of an infinite number of layers by finding the fixed point of the recursive relations. In order for these to converge, an infinitesimal amount of absorption needs to be present, reminiscent of the regularization procedures commonly used in physics calculations. Thus, using only the phenomenon of...

  11. Band-structure calculations and structure-factor estimates of Cu - their complementarity

    International Nuclear Information System (INIS)

    Rather than an uncritical comparison of experimental and theoretical values, the various sets of structure-factor values of copper metal derived from experimental diffraction procedures are mutally compared as also are the various sets of theoretical values derived from band-structure calculations. This approach reveals the presence of outlier sets in each group and allows recognition of their condition before any attempt is made to intercompare the groups. Within the experimental group, the γ-ray values do not appear to sustain the absolute status originally claimed from them. Within the theoretical group, an inadequacy in defining the core contribution is indicated. The latter conclusion suggests that it is an inappropriate operation to make direct comparison between diffraction-sourced experimental values of structure factors and theoretical values from band-structure calculations. Instead, the latter should be used on a complementary basis with the full (sin θ)/λ range of experimental values to establish the best core contribution. The minor valence-bond contribution to scattering, which is largely restricted to the low (sin θ)/λ region, is most sensitively defined by reference to band-structure prediction of photoemission spectral distribution. Attention is drawn to the possible significance of the form-factor curve versus (sin θ)/λ being dependent on the unit-cell dimension. (orig.)

  12. Band Structure Characteristics of Nacreous Composite Materials with Various Defects

    Science.gov (United States)

    Yin, J.; Zhang, S.; Zhang, H. W.; Chen, B. S.

    2016-06-01

    Nacreous composite materials have excellent mechanical properties, such as high strength, high toughness, and wide phononic band gap. In order to research band structure characteristics of nacreous composite materials with various defects, supercell models with the Brick-and-Mortar microstructure are considered. An efficient multi-level substructure algorithm is employed to discuss the band structure. Furthermore, two common systems with point and line defects and varied material parameters are discussed. In addition, band structures concerning straight and deflected crack defects are calculated by changing the shear modulus of the mortar. Finally, the sensitivity of band structures to the random material distribution is presented by considering different volume ratios of the brick. The results reveal that the first band gap of a nacreous composite material is insensitive to defects under certain conditions. It will be of great value to the design and synthesis of new nacreous composite materials for better dynamic properties.

  13. The complex band structure for armchair graphene nanoribbons

    Institute of Scientific and Technical Information of China (English)

    Zhang Liu-Jun; Xia Tong-Sheng

    2010-01-01

    Using a tight binding transfer matrix method, we calculate the complex band structure of armchair graphene nanoribbons. The real part of the complex band structure calculated by the transfer matrix method fits well with the bulk band structure calculated by a Hermitian matrix. The complex band structure gives extra information on carrier's decay behaviour. The imaginary loop connects the conduction and valence band, and can profoundly affect the characteristics of nanoscale electronic device made with graphene nanoribbons. In this work, the complex band structure calculation includes not only the first nearest neighbour interaction, but also the effects of edge bond relaxation and the third nearest neighbour interaction. The band gap is classified into three classes. Due to the edge bond relaxation and the third nearest neighbour interaction term, it opens a band gap for N= 3M-1. The band gap is almost unchanged for N = 3M + 1, but decreased for N = 3M. The maximum imaginary wave vector length provides additional information about the electrical characteristics of graphene nmaoribbons, and is also classified into three classes.

  14. Pressure effects on band structures in dense lithium

    International Nuclear Information System (INIS)

    We studied the change of the band structures in some structures of Li predicted at high pressures, using GGA and GW calculations. The width of the 1s band coming from the 1s electron of Li shows broadening by the pressurization, which is the normal behavior of bands at high pressure. The width of the band just below the Fermi level decreases by the pressurization, which is an opposite behavior to the normal bands. The character of this narrowing band is mostly p-like with a little s-like portion. The band gaps in some structures are really observed even by the GGA calculations. The gaps by the GW calculations increase to about 1.5 times the GGA values. Generally the one-shot GW calculation (diagonal only calculations) gives more reliable values than the GGA, but it may fail to predict band gaps for the case where band dispersion shows complex crossing near the Fermi level. There remains some structures for which GW calculations with off-diagonal elements taken into account are needed to identify the phase to be metallic or semiconducting.

  15. Broadening of effective photonic band gaps in biological chiral structures: From intrinsic narrow band gaps to broad band reflection spectra

    Science.gov (United States)

    Vargas, W. E.; Hernández-Jiménez, M.; Libby, E.; Azofeifa, D. E.; Solis, Á.; Barboza-Aguilar, C.

    2015-09-01

    Under normal illumination with non-polarized light, reflection spectra of the cuticle of golden-like and red Chrysina aurigans scarabs show a structured broad band of left-handed circularly polarized light. The polarization of the reflected light is attributed to a Bouligand-type left-handed chiral structure found through the scarab's cuticle. By considering these twisted structures as one-dimensional photonic crystals, a novel approach is developed from the dispersion relation of circularly polarized electromagnetic waves traveling through chiral media, to show how the broad band characterizing these spectra arises from an intrinsic narrow photonic band gap whose spectral position moves through visible and near-infrared wavelengths.

  16. Atomic structure of amorphous shear bands in boron carbide.

    Science.gov (United States)

    Reddy, K Madhav; Liu, P; Hirata, A; Fujita, T; Chen, M W

    2013-01-01

    Amorphous shear bands are the main deformation and failure mode of super-hard boron carbide subjected to shock loading and high pressures at room temperature. Nevertheless, the formation mechanisms of the amorphous shear bands remain a long-standing scientific curiosity mainly because of the lack of experimental structure information of the disordered shear bands, comprising light elements of carbon and boron only. Here we report the atomic structure of the amorphous shear bands in boron carbide characterized by state-of-the-art aberration-corrected transmission electron microscopy. Distorted icosahedra, displaced from the crystalline matrix, were observed in nano-sized amorphous bands that produce dislocation-like local shear strains. These experimental results provide direct experimental evidence that the formation of amorphous shear bands in boron carbide results from the disassembly of the icosahedra, driven by shear stresses. PMID:24052052

  17. Comparison of hyperbolic and constant width simultaneous confidence bands in multiple linear regression under MVCS criterion

    OpenAIRE

    W. Liu; Hayter, A. J.; Piegorsch, W W; Ah-Kine, P.

    2008-01-01

    A simultaneous confidence band provides useful information on the plausible range of the unknown regression model, and different confidence bands can often be constructed for the same regression model. For a simple regression line, Liu and Hayter (2007) propose use of the area of the confidence set corresponding to a confidence band as an optimality criterion in comparison of confidence bands; the smaller the area of the confidence set, the better the corresponding confidence band. This minim...

  18. Shell model description of band structure in 48Cr

    International Nuclear Information System (INIS)

    The band structure for normal and abnormal parity bands in 48Cr are described using the m-scheme shell model. In addition to full fp-shell, two particles in the 1d3/2 orbital are allowed in order to describe intruder states. The interaction includes fp-, sd- and mixed matrix elements

  19. Fractional Band Filling in an Atomic Chain Structure

    Science.gov (United States)

    Crain, J. N.; Kirakosian, A.; Altmann, K. N.; Bromberger, C.; Erwin, S. C.; McChesney, J. L.; Lin, J.-L.; Himpsel, F. J.

    2003-05-01

    A new chain structure of Au is found on stepped Si(111) which exhibits a 1/4-filled band and a pair of ≥1/2-filled bands with a combined filling of 4/3. Band dispersions and Fermi surfaces for Si(553)-Au are obtained by photoemission and compared to that of Si(557)-Au. The dimensionality of both systems is determined using a tight binding fit. The fractional band filling makes it possible to preserve metallicity in the presence of strong correlations.

  20. Structure of nearly degenerate dipole bands in {sup 108}Ag

    Energy Technology Data Exchange (ETDEWEB)

    Sethi, J. [Tata Institute of Fundamental Research, Colaba, Mumbai 400 005 (India); Palit, R., E-mail: palit@tifr.res.in [Tata Institute of Fundamental Research, Colaba, Mumbai 400 005 (India); Saha, S.; Trivedi, T. [Tata Institute of Fundamental Research, Colaba, Mumbai 400 005 (India); Bhat, G.H.; Sheikh, J.A. [Department of Physics, University of Kashmir, Srinagar 190 006 (India); Datta, P. [Ananda Mohan College, Kolkata 700009 (India); Carroll, J.J. [US Army Research Laboratory, Adelphi, MD 20783 (United States); Chattopadhyay, S. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Donthi, R. [Tata Institute of Fundamental Research, Colaba, Mumbai 400 005 (India); Garg, U. [University of Notre Dame, Notre Dame, IN 46556 (United States); Jadhav, S.; Jain, H.C. [Tata Institute of Fundamental Research, Colaba, Mumbai 400 005 (India); Karamian, S. [Joint Institute for Nuclear Research, Dubna 141980 (Russian Federation); Kumar, S. [University of Delhi, Delhi 110007 (India); Litz, M.S. [US Army Research Laboratory, Adelphi, MD 20783 (United States); Mehta, D. [Panjab University, Chandigarh 160014 (India); Naidu, B.S. [Tata Institute of Fundamental Research, Colaba, Mumbai 400 005 (India); Naik, Z. [Sambalpur University, Sambalpur 143005 (India); Sihotra, S. [Panjab University, Chandigarh 160014 (India); and others

    2013-08-09

    The high spin negative parity states of {sup 108}Ag have been investigated with the {sup 11}B + {sup 100}Mo reaction at 39 MeV beam energy using the INGA facility at TIFR, Mumbai. From the γ–γ coincidence analysis, an excited negative parity band has been established and found to be nearly degenerate with the ground state band. The spin and parity of the levels are assigned using angular correlation and polarization measurements. This pair of degenerate bands in {sup 108}Ag is studied using the recently developed microscopic triaxial projected shell model approach. The observed energy levels and the ratio of the electromagnetic transition probabilities of these bands in this isotope are well reproduced by the present model. Further, it is shown that the partner band has a different quasiparticle structure as compared to the yrast band.

  1. Structure of nearly degenerate dipole bands in 108Ag

    International Nuclear Information System (INIS)

    The high spin negative parity states of 108Ag have been investigated with the 11B + 100Mo reaction at 39 MeV beam energy using the INGA facility at TIFR, Mumbai. From the γ–γ coincidence analysis, an excited negative parity band has been established and found to be nearly degenerate with the ground state band. The spin and parity of the levels are assigned using angular correlation and polarization measurements. This pair of degenerate bands in 108Ag is studied using the recently developed microscopic triaxial projected shell model approach. The observed energy levels and the ratio of the electromagnetic transition probabilities of these bands in this isotope are well reproduced by the present model. Further, it is shown that the partner band has a different quasiparticle structure as compared to the yrast band

  2. Nonequilibrium band structure of nano-devices

    Science.gov (United States)

    Hackenbuchner, S.; Sabathil, M.; Majewski, J. A.; Zandler, G.; Vogl, P.; Beham, E.; Zrenner, A.; Lugli, P.

    2002-03-01

    A method is developed for calculating, in a consistent manner, the realistic electronic structure of three-dimensional (3-D) heterostructure quantum devices under bias and its current density close to equilibrium. The nonequilibrium electronic structure is characterized by local Fermi levels that are calculated self-consistently. We have applied this scheme to predict asymmetric Stark shifts and tunneling of confined electrons and holes in single-dot GaAs/InGaAs photodiodes.

  3. Comparison of X-Band, L-Band and C-Band Radar Images in Monitoring Subsidence in Agricultural Regions

    Science.gov (United States)

    Motagh, Mahdi; Haghshenas Haghighi, Mahmud; Shamshiri, Roghaye; Esmaeili, Mustapha

    2015-05-01

    The ongoing pattern of groundwater induced land subsidence in major valleys and agricultural regions of Iran has been recently documented by several studies (e.g. [1-4]) using C-band Interferometric Synthetic Aperture Radar (InSAR) observations. In this article we present the results of our research in which we evaluated the performance of C-band, L-band and X-band SAR data, using time-series method of small baseline subset (SBAS), to retrieve long time series of ground subsidence in agricultural regions in the country. Two major groundwater basins have been selected for this purpose: (1) Rafsanjan Valley in the Kerman province of central Iran and (2) Tehran Plain (capital of Iran). We also report on our experience using dualpolarimetry (HH/VV) X-band SAR data for Persistent Scatterer (PS) deformation analysis in natural terrains subject to high rate of deformation.

  4. Comparison of Hyperbolic and Constant Width Simultaneous Confidence Bands in Multiple Linear Regression under MVCS Criterion

    OpenAIRE

    W. Liu; Hayter, A. J.; Piegorsch, W W

    2009-01-01

    A simultaneous confidence band provides useful information on the plausible range of the unknown regression model, and different confidence bands can often be constructed for the same regression model. For a simple regression line, it is proposed in Liu and Hayter (2007) to use the area of the confidence set that corresponds to a confidence band as an optimality criterion in comparison of confidence bands; the smaller is the area of the confidence set, the better is the corresponding confiden...

  5. Design for maximum band-gaps in beam structures

    DEFF Research Database (Denmark)

    Olhoff, Niels; Niu, Bin; Cheng, Gengdong

    2012-01-01

    This paper aims to extend earlier optimum design results for transversely vibrating Bernoulli-Euler beams by determining new optimum band-gap beam structures for (i) different combinations of classical boundary conditions, (ii) much larger values of the orders n and n-1 of adjacent upper and lower...... eigenfrequencies of maximized band-gaps, and (iii) different values of a minimum cross-sectional area constraint. The periodicity of the optimum beams and the attenuation of their band-gaps are also discussed....

  6. Coupling between Fano and Bragg bands in photonic band structure of two-dimensional metallic photonic structures

    CERN Document Server

    Markos, Peter

    2016-01-01

    Frequency and transmission spectrum of two-dimensional array of metallic rods is investigated numerically. Based on the recent analysis of the band structure of two-dimensional photonic crystal with dielectric rods [P. Marko\\v{s}, Phys. Rev. A 92 043814 (2015)] we identify two types of bands in the frequency spectrum: Bragg (P) bands resulting from a periodicity and Fano (F) bands which arise from Fano resonances associated with each of the cylinders within the periodic structure. It is shown that the existence of Fano band in a certain frequency range is manifested by a Fano resonance in the transmittance. In particular, we re-examine the symmetry properties of the H- polarized band structure in the frequency range where the spectrum consists of the localized modes associated with the single scatterer resonances and we explore process of formation of Fano bands by identifying individual terms in the expansion of the LCAO states. We demonstrate how the interplay between the two scattering mechanisms affects p...

  7. Band formation in coupled-resonator slow-wave structures.

    Science.gov (United States)

    Möller, Björn M; Woggon, Ulrike; Artemyev, Mikhail V

    2007-12-10

    Sequences of coupled-resonator optical waveguides (CROWs) have been examined as slow-wave structures. The formation of photonic bands in finite systems is studied in the frame of a coupled oscillator model. Several types of resonator size tuning in the system are evaluated in a systematical manner. We show that aperiodicities in sequences of coupled microspheres provide an additional degree of freedom for the design of photonic bands. PMID:19551030

  8. Comparison of broad-band and narrow-band red and near-infrared vegetation indices

    International Nuclear Information System (INIS)

    An experiment has been conducted in which narrow-band field reflectance spectra were acquired of a rooted pinyon pine canopy with five different gravel backgrounds. Leaf area was successively removed as the measurements were repeated. From these reflectance spectra, narrow-band and broad-band (AVHRR, TM, MSS) red and near-infrared (NIR) vegetation index values were calculated. The performance of the vegetation indices was evaluated based on their capability to accurately estimate leaf area index (LAI) and percent green cover. Background effects were found for each of the tested vegetation indices. However, the background effects are most pronounced in the normalized difference vegetation index (NDVI) and ratio vegetation index (RVI). Background effects can be reduced using either the perpendicular vegetation index (PVI) or soil adjusted vegetation index (SAVI) formulations. The narrow-band versions of these vegetation indices had only slightly better accuracy than their broad-band counterparts. The background effects were minimized using derivative based vegetation indices, which measure the amplitude of the chlorophyll red-edge using continuous narrow-band spectra from 626 nm to 795 nm. (author)

  9. Tuning the electronic band structure of PCBM by electron irradiation

    Directory of Open Access Journals (Sweden)

    Yoo Seung

    2011-01-01

    Full Text Available Abstract Tuning the electronic band structures such as band-edge position and bandgap of organic semiconductors is crucial to maximize the performance of organic photovoltaic devices. We present a simple yet effective electron irradiation approach to tune the band structure of [6, 6]-phenyl-C61-butyric acid methyl ester (PCBM that is the most widely used organic acceptor material. We have found that the lowest unoccupied molecular orbital (LUMO level of PCBM up-shifts toward the vacuum energy level, while the highest occupied molecular orbital (HOMO level down-shifts when PCBM is electron-irradiated. The shift of the HOMO and the LUMO levels increases as the irradiated electron fluence increases. Accordingly, the band-edge position and the bandgap of PCBM can be controlled by adjusting the electron fluence. Characterization of electron-irradiated PCBM reveals that the variation of the band structure is attributed to the molecular structural change of PCBM by electron irradiation.

  10. Bulk band structure of Bi2Te3

    DEFF Research Database (Denmark)

    Michiardi, Matteo; Aguilera, Irene; Bianchi, Marco;

    2014-01-01

    The bulk band structure of Bi2Te3 has been determined by angle-resolved photoemission spectroscopy and compared to first-principles calculations. We have performed calculations using the local density approximation (LDA) of density functional theory and the one-shot GW approximation within the all......-electron full-potential linearized augmented-plane-wave (FLAPW) formalism, fully taking into account spin-orbit coupling. Quasiparticle effects produce significant changes in the band structure of Bi2Te3 when compared to LDA. Experimental and calculated results are compared in the spectral regions where...... distinct differences between the LDA and GW results are present. Overall a superior agreement with GW is found, highlighting the importance of many-body effects in the band structure of this family of topological insulators....

  11. Simulation of the Band Structure of Graphene and Carbon Nanotube

    International Nuclear Information System (INIS)

    Simulation technique has been performed to simulate the band structure of both graphene and carbon nanotube. Accordingly, the dispersion relations for graphene and carbon nanotube are deduced analytically, using the tight binding model and LCAO scheme. The results from the simulation of the dispersion relation of both graphene and carbon nanotube were found to be consistent with those in the literature which indicates the correctness of the process of simulation technique. The present research is very important for tailoring graphene and carbon nanotube with specific band structure, in order to satisfy the required electronic properties of them.

  12. Simulation of the Band Structure of Graphene and Carbon Nanotube

    Science.gov (United States)

    Mina, Aziz N.; Awadallah, Attia A.; Phillips, Adel H.; Ahmed, Riham R.

    2012-02-01

    Simulation technique has been performed to simulate the band structure of both graphene and carbon nanotube. Accordingly, the dispersion relations for graphene and carbon nanotube are deduced analytically, using the tight binding model & LCAO scheme. The results from the simulation of the dispersion relation of both graphene and carbon nanotube were found to be consistent with those in the literature which indicates the correctness of the process of simulation technique. The present research is very important for tailoring graphene and carbon nanotube with specific band structure, in order to satisfy the required electronic properties of them.

  13. Band structure of CdTe under high pressure

    International Nuclear Information System (INIS)

    The band structures and density of states of cadmium telluride (CdTe) under various pressures ranging from normal to 4.5 Mbar are obtained. The electronic band structure at normal pressure of CdTe (ZnS structure) is analyzed and the direct band gap value is found to be 1.654 eV. CdTe becomes metal and superconductor under high pressure but before that it undergoes structural phase transition from ZnS phase to NaCl phase. The equilibrium lattice constant, bulk modulus and the phase transition pressure at which the compounds undergo structural phase transition from ZnS to NaCl are predicted from the total energy calculations. The density of states at the Fermi level (N(EF)) gets enhanced after metallization, which leads to the superconductivity in CdTe. In our calculation, the metallization pressure (PM = 1.935 Mbar) and the corresponding reduced volume ((V/V0)M = 0.458) are estimated. Metallization occurs via direct closing of band gap at Γ point. (author)

  14. Optimum design of band-gap beam structures

    DEFF Research Database (Denmark)

    Olhoff, Niels; Niu, Bin; Cheng, Gengdong

    2012-01-01

    of a single, linearly elastic material without damping. Numerical results are presented for different combinations of classical boundary conditions, prescribed orders of the upper and lower natural frequencies of maximized natural frequency gaps, and a given minimum constraint value for the beam......The design of band-gap structures receives increasing attention for many applications in mitigation of undesirable vibration and noise emission levels. A band-gap structure usually consists of a periodic distribution of elastic materials or segments, where the propagation of waves is impeded or...... significantly suppressed for a range of external excitation frequencies. Maximization of the band-gap is therefore an obvious objective for optimum design. This problem is sometimes formulated by optimizing a parameterized design model which assumes multiple periodicity in the design. However, it is shown in...

  15. Reconfigurable wave band structure of an artificial square ice

    Science.gov (United States)

    Iacocca, Ezio; Gliga, Sebastian; Stamps, Robert L.; Heinonen, Olle

    2016-04-01

    Artificial square ices are structures composed of magnetic nanoelements arranged on the sites of a two-dimensional square lattice, such that there are four interacting magnetic elements at each vertex, leading to geometrical frustration. Using a semianalytical approach, we show that square ices exhibit a rich spin-wave band structure that is tunable both by external magnetic fields and the magnetization configuration of individual elements. Internal degrees of freedom can give rise to equilibrium states with bent magnetization at the element edges leading to characteristic excitations; in the presence of magnetostatic interactions these form separate bands analogous to impurity bands in semiconductors. Full-scale micromagnetic simulations corroborate our semianalytical approach. Our results show that artificial square ices can be viewed as reconfigurable and tunable magnonic crystals that can be used as metamaterials for spin-wave-based applications at the nanoscale.

  16. Photonic Band Gap structures: A new approach to accelerator cavities

    Energy Technology Data Exchange (ETDEWEB)

    Kroll, N. [California Univ., San Diego, La Jolla, CA (United States). Dept. of Physics]|[Stanford Linear Accelerator Center, Menlo Park, CA (United States); Smith, D.R.; Schultz, S. [California Univ., San Diego, La Jolla, CA (United States). Dept. of Physics

    1992-12-31

    We introduce a new accelerator cavity design based on Photonic Band Gap (PGB) structures. The PGB cavity consists of a two-dimensional periodic array of high dielectric, low loss cylinders with a single removal defect, bounded on top and bottom by conducting sheets. We present the results of both numerical simulations and experimental measurements on the PGB cavity.

  17. Photonic Band Gap structures: A new approach to accelerator cavities

    International Nuclear Information System (INIS)

    We introduce a new accelerator cavity design based on Photonic Band Gap (PGB) structures. The PGB cavity consists of a two-dimensional periodic array of high dielectric, low loss cylinders with a single removal defect, bounded on top and bottom by conducting sheets. We present the results of both numerical simulations and experimental measurements on the PGB cavity

  18. Emission bands of phosphorus and calculation of band structure of rare earth phosphides

    International Nuclear Information System (INIS)

    The method of x-ray emission spectroscopy has been used to investigate the electronic structure of monophosphides of rare-earth metals (REM). The fluorescence K bands of phosphorus have been obtained in LaP, PrP, SmP, GdP, TbP, DyP, HoP, ErP, TmP, YbP, and LuP and also the Lsub(2,3) bands of phosphorus in ErP, TmP, YbP, and LuP. Using the Green function technique involving the muffin-tin potential, the energy spectrum for ErP has been calculated in the single-electron approximation. The hystogram of electronic state distribution N(E) is compared with the experimental K and Lsub(2,3) bands of phosphorus in ErP. The agreement between the main details of N(E) and that of x-ray spectra allows to state that the model used provides a good description of the electron density distribution in crystals of REM monophosphides. In accordance with the character of the N(E) distribution the compounds under study are classified as semimetals or semiconductors with a very narrow forbidden band

  19. Hubbard-U band-structure methods

    DEFF Research Database (Denmark)

    Albers, R.C.; Christensen, Niels Egede; Svane, Axel

    2009-01-01

    The last decade has seen a large increase in the number of electronic-structure calculations that involve adding a Hubbard term to the local-density approximation band-structure Hamiltonian. The Hubbard term is then determined either at the mean-field level or with sophisticated many...... inconsistent with what the calculations actually do. Although many of these calculations are often treated as essentially first-principles calculations, in fact, we argue that they should be viewed from an entirely different point of view, namely, as based on phenomenological many-body corrections to band-structure......-body techniques such as using dynamical mean-field theory. We review the physics underlying these approaches and discuss their strengths and weaknesses in terms of the larger issues of electronic structure that they involve. In particular, we argue that the common assumptions made to justify such calculations are...

  20. X-Band Photonic Band-Gap Accelerator Structure Breakdown Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Marsh, Roark A.; /MIT /MIT /NIFS, Gifu /JAERI, Kyoto /LLNL, Livermore; Shapiro, Michael A.; Temkin, Richard J.; /MIT; Dolgashev, Valery A.; Laurent, Lisa L.; Lewandowski, James R.; Yeremian, A.Dian; Tantawi, Sami G.; /SLAC

    2012-06-11

    In order to understand the performance of photonic band-gap (PBG) structures under realistic high gradient, high power, high repetition rate operation, a PBG accelerator structure was designed and tested at X band (11.424 GHz). The structure consisted of a single test cell with matching cells before and after the structure. The design followed principles previously established in testing a series of conventional pillbox structures. The PBG structure was tested at an accelerating gradient of 65 MV/m yielding a breakdown rate of two breakdowns per hour at 60 Hz. An accelerating gradient above 110 MV/m was demonstrated at a higher breakdown rate. Significant pulsed heating occurred on the surface of the inner rods of the PBG structure, with a temperature rise of 85 K estimated when operating in 100 ns pulses at a gradient of 100 MV/m and a surface magnetic field of 890 kA/m. A temperature rise of up to 250 K was estimated for some shots. The iris surfaces, the location of peak electric field, surprisingly had no damage, but the inner rods, the location of the peak magnetic fields and a large temperature rise, had significant damage. Breakdown in accelerator structures is generally understood in terms of electric field effects. These PBG structure results highlight the unexpected role of magnetic fields in breakdown. The hypothesis is presented that the moderate level electric field on the inner rods, about 14 MV/m, is enhanced at small tips and projections caused by pulsed heating, leading to breakdown. Future PBG structures should be built to minimize pulsed surface heating and temperature rise.

  1. Self-consistent field variational cellular method as applied to the band structure calculation of sodium

    International Nuclear Information System (INIS)

    The band structure of metallic sodium is calculated, using for the first time the self-consistent field variational cellular method. In order to implement the self-consistency in the variational cellular theory, the crystal electronic charge density was calculated within the muffin-tin approximation. The comparison between our results and those derived from other calculations leads to the conclusion that the proposed self-consistent version of the variational cellular method is fast and accurate. (author)

  2. Structure of superdeformed bands in the A ≅ 150 mass region

    International Nuclear Information System (INIS)

    The structure of superdeformed rotational bands recently discovered around 152Dy is discussed within the deformed shell model based on an average Woods-Saxon potential with a monopole pairing force. A comparison with available experimental data is provided and detailed predictions for yet unobserved cases are given. Pronounced variations in the observed rotational pattern are attributed to the angular momentum alignment of the high-N intruder (quasi)particles. (orig.)

  3. Band Structure Modifications in Deformed InP Quantum Wires

    Directory of Open Access Journals (Sweden)

    V.V. Kuryliuk

    2014-11-01

    Full Text Available The work describes the features of the band structure of deformed InP nanowires with different diameters. It is shown that the bending of quantum wires is capable of creating local minima in the conduction and valence bands which are separated from the surface of the cylindrical wire. This result opens up new possibilities for controlling both the lifetime of photoexcited carriers by keeping them at these minima and the magnitude of the photovoltage in solar energy conversion devices based on quantum wires. The work lies within a common goal aiming to develop new methods of functionalization of nanostructured surfaces using mechanical deformations.

  4. Multi-band and broadband acoustic metamaterial with resonant structures

    International Nuclear Information System (INIS)

    We design an acoustic metamaterial (AM) with multi-band of negative modulus composed of different sized split hollow spheres (SHSs). From acoustic transmitted experiment, the AM exhibits simultaneously negative modulus at frequencies 914, 1298 and 1514 Hz. Based on the multi-band designed concept, broadband AM is fabricated by arraying gradually sized SHS. The transmission results indicate that this medium can achieve negative modulus at the frequency range from 900 to 1500 Hz. This kind of broadband AM is very convenient to couple with other structures to gain the double-negative AM.

  5. Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors

    International Nuclear Information System (INIS)

    A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k→) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg1−xCdxTe, and In1−xGaxAsyP1−y lattice matched to InP, as example of III–V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors

  6. Coupling effect of quantum wells on band structure

    Science.gov (United States)

    Jie, Chen; Weiyou, Zeng

    2015-10-01

    The coupling effects of quantum wells on band structure are numerically investigated by using the Matlab programming language. In a one dimensional finite quantum well with the potential barrier V0, the calculation is performed by increasing the number of inserted barriers with the same height Vb, and by, respectively, varying the thickness ratio of separated wells to inserted barriers and the height ratio of Vb to V0. Our calculations show that coupling is strongly influenced by the above parameters of the inserted barriers and wells. When these variables change, the width of the energy bands and gaps can be tuned. Our investigation shows that it is possible for quantum wells to achieve the desired width of the bands and gaps.

  7. Coupling effect of quantum wells on band structure

    International Nuclear Information System (INIS)

    The coupling effects of quantum wells on band structure are numerically investigated by using the Matlab programming language. In a one dimensional finite quantum well with the potential barrier V0, the calculation is performed by increasing the number of inserted barriers with the same height Vb, and by, respectively, varying the thickness ratio of separated wells to inserted barriers and the height ratio of Vb to V0. Our calculations show that coupling is strongly influenced by the above parameters of the inserted barriers and wells. When these variables change, the width of the energy bands and gaps can be tuned. Our investigation shows that it is possible for quantum wells to achieve the desired width of the bands and gaps. (paper)

  8. QUANTITATIVE ANALYSIS OF BANDED STRUCTURES IN DUAL-PHASE STEELS

    Directory of Open Access Journals (Sweden)

    Benoit Krebs

    2011-05-01

    Full Text Available Dual-Phase (DP steels are composed of martensite islands dispersed in a ductile ferrite matrix, which provides a good balance between strength and ductility. Current processing conditions (continuous casting followed by hot and cold rolling generate 'banded structures' i.e., irregular, parallel and alternating bands of ferrite and martensite, which are detrimental to mechanical properties and especially for in-use properties. We present an original and simple method to quantify the intensity and wavelength of these bands. This method, based on the analysis of covariance function of binary images, is firstly tested on model images. It is compared with ASTM E-1268 standard and appears to be more robust. Then it is applied on real DP steel microstructures and proves to be sufficiently sensitive to discriminate samples resulting from different thermo-mechanical routes.

  9. Mid-frequency Band Dynamics of Large Space Structures

    Science.gov (United States)

    Coppolino, Robert N.; Adams, Douglas S.

    2004-01-01

    High and low intensity dynamic environments experienced by a spacecraft during launch and on-orbit operations, respectively, induce structural loads and motions, which are difficult to reliably predict. Structural dynamics in low- and mid-frequency bands are sensitive to component interface uncertainty and non-linearity as evidenced in laboratory testing and flight operations. Analytical tools for prediction of linear system response are not necessarily adequate for reliable prediction of mid-frequency band dynamics and analysis of measured laboratory and flight data. A new MATLAB toolbox, designed to address the key challenges of mid-frequency band dynamics, is introduced in this paper. Finite-element models of major subassemblies are defined following rational frequency-wavelength guidelines. For computational efficiency, these subassemblies are described as linear, component mode models. The complete structural system model is composed of component mode subassemblies and linear or non-linear joint descriptions. Computation and display of structural dynamic responses are accomplished employing well-established, stable numerical methods, modern signal processing procedures and descriptive graphical tools. Parametric sensitivity and Monte-Carlo based system identification tools are used to reconcile models with experimental data and investigate the effects of uncertainties. Models and dynamic responses are exported for employment in applications, such as detailed structural integrity and mechanical-optical-control performance analyses.

  10. Development of X-band accelerating structures for high gradients

    Institute of Scientific and Technical Information of China (English)

    S. Bini; M. G. Grimaldi; L. Romano; F. Ruffino; R. Parodi; V. Chimenti; A. Marcelli; L. Palumbo; B. Spataro; V. A. Dolgashev; S. Tantawi; A.D. Yeremian; Y. Higashi

    2012-01-01

    Short copper standing wave (SW) structures operating at an X-band frequency have been recently designed and manufactured at the Laboratori Nazionali di Frascati of the Istituto Nazionale di Fisica Nucleare (INFN) using the vacuum brazing technique.High power tests of the structures have been performed at the SLAC National Accelerator Laboratory.In this manuscript we report the results of these tests and the activity in progress to enhance the high gradient performance of the next generation of structures,particularly the technological characterization of high performance coatings obtained via molybdenum sputtering.

  11. Engineering Design of a Multipurpose X-band Accelerating Structure

    CERN Document Server

    Gudkov, Dmitry; Samoshkin, Alexander; Zennaro, Riccardo; Dehler, Micha; Raguin, Jean-Yves

    2010-01-01

    Both FEL projects, SwissFEL and Fermi-Elettra each require an X-band RF accelerating structure for optimal bunch compression at the respective injectors. As the CLIC project is pursuing a program for producing and testing the X-band high-gradient RF structures, a collaboration between PSI, Elettra and CERN has been established to build a multipurpose X-band accelerating structure. This paper focuses on its engineering design, which is based on the disked cells jointed together by diffusion bonding. Vacuum brazing and laser beam welding is used for auxiliary components. The accelerating structure consists of two coupler subassemblies, 73 disks and includes a wakefield monitor and diagnostic waveguides. The engineering study includes the external cooling system, consisting of two parallel cooling circuits and an RF tuning system, which allows phase advance tuning of the cell by deforming the outer wall. The engineering solution for the installation and sealing of the wake field monitor feed-through devices that...

  12. Ultrafast Band Structure Control of a Two-Dimensional Heterostructure.

    Science.gov (United States)

    Ulstrup, Søren; Čabo, Antonija Grubišić; Miwa, Jill A; Riley, Jonathon M; Grønborg, Signe S; Johannsen, Jens C; Cacho, Cephise; Alexander, Oliver; Chapman, Richard T; Springate, Emma; Bianchi, Marco; Dendzik, Maciej; Lauritsen, Jeppe V; King, Phil D C; Hofmann, Philip

    2016-06-28

    The electronic structure of two-dimensional (2D) semiconductors can be significantly altered by screening effects, either from free charge carriers in the material or by environmental screening from the surrounding medium. The physical properties of 2D semiconductors placed in a heterostructure with other 2D materials are therefore governed by a complex interplay of both intra- and interlayer interactions. Here, using time- and angle-resolved photoemission, we are able to isolate both the layer-resolved band structure and, more importantly, the transient band structure evolution of a model 2D heterostructure formed of a single layer of MoS2 on graphene. Our results reveal a pronounced renormalization of the quasiparticle gap of the MoS2 layer. Following optical excitation, the band gap is reduced by up to ∼400 meV on femtosecond time scales due to a persistence of strong electronic interactions despite the environmental screening by the n-doped graphene. This points to a large degree of tunability of both the electronic structure and the electron dynamics for 2D semiconductors embedded in a van der Waals-bonded heterostructure. PMID:27267820

  13. Study of the band structures in 104Pd

    International Nuclear Information System (INIS)

    Complete text of publication follows. During the past years, beside the A ∼ 130 mass region, chiral candidate twin bands have been found also in odd-odd and odd-mass rhodium isotopes with A ∼ 100. The role of triaxial deformation of the core in degeneracy of chiral band doubling has been pointed out in 102Ru and 103Rh. More recently, a study of 106Ag has revealed that gamma softness has marked implications for the phenomenon of nuclear chirality. In order to further examine this effect on the stability of chiral geometry we studied the band structures of 104Pd, the core nucleus of 106Ag. High-spin states in 104Pd have been studied through the 96Zr(13C,5n) reaction at beam energies of 51 and 58 MeV, using the Euroball IV γ-ray spectrometer. The γ rays were measured in coincidence with charged particles detected by the Diamant array in order to eliminate the contaminants from the stronger (13C,xn) reaction channels. A total of ∼ 2 x 109 triple- and higher-fold coincidence events were stored among which ∼ 4.5 x 108 belonged to the 104Pd reaction channel. On the basis of the analysis of γγγ-coincidence data, several new high-spin bands have been established. The ground state band has been extended up to Ex ∼12 MeV with Iπ=(26+), while the previously published negative-parity bands have been extended up to Ex ∼11 and ∼9 MeV with Iπ=(23-) and (20-), respectively. The theoretical interpretation of the experimental results obtained is in progress

  14. Calculation of complex band structure for low symmetry lattices

    Science.gov (United States)

    Srivastava, Manoj; Zhang, Xiaoguang; Cheng, Hai-Ping

    2009-03-01

    Complex band structure calculation is an integral part of a first-principles plane-wave based quantum transport method. [1] The direction of decay for the complex wave vectors is also the transport direction. The existing algorithm [1] has the limitation that it only allows the transport direction along a lattice vector perpendicular to the basal plane formed by two other lattice vectors, e.g., the c-axis of a tetragonal lattice. We generalize this algorithm to nonorthogonal lattices with transport direction not aligned with any lattice vector. We show that this generalization leads to changes in the boundary conditions and the Schrodinger's equation projected to the transport direction. We present, as an example, the calculation of the complex band structure of fcc Cu along a direction perpendicular to the (111) basal plane. [1] Hyoung Joon Choi and Jisoon Ihm, Phys. Rev. B 59, 2267 (1999).

  15. Parameterization and algebraic structure of 3-band orthogonal wavelet systems

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    In this paper, a complete parameterization for the 3-band compact wavelet systems is presented. Using the parametric result, a program of the filterbank design is completed, which can give not only the filterbanks but also the graphs of all possible scaling functions and their corresponding wavelets. Especially some symmetric wavelets with small supports are given. Finally an algebraic structure for this kind of wavelet systems is characterized.

  16. The structure of rotational bands in alpha-cluster nuclei

    Directory of Open Access Journals (Sweden)

    Bijker Roelof

    2015-01-01

    Full Text Available In this contribution, I discuss an algebraic treatment of alpha-cluster nuclei based on the introduction of a spectrum generating algebra for the relative motion of the alpha-clusters. Particular attention is paid to the discrete symmetry of the geometric arrangement of the α-particles, and the consequences for the structure of the rotational bands in the 12C and 16O nuclei.

  17. Intermediate band solar cell structures grown by MOVPE

    Czech Academy of Sciences Publication Activity Database

    Vyskočil, Jan; Zíková, Markéta; Hospodková, Alice; Oswald, Jiří; Petříček, Otto; Pangrác, Jiří

    Lund: Nanometer Structure Consortium, 2015 - (Ghalamestani, S.; Lundfald, L.), s. 191-194 [EWMOVPE XVI - 16th European Workshop on Metalorganic Vapor Phase Epitaxy. Lund (SE), 07.06.2015-10.06.2015] R&D Projects: GA ČR(CZ) GP14-21285P Institutional support: RVO:68378271 Keywords : InAs * GaAsSb * quantum dot * intermediate band solar cell s Subject RIV: BM - Solid Matter Physics ; Magnetism

  18. Band structural properties of MoS2 (molybdenite)

    International Nuclear Information System (INIS)

    Semiconductivity and superconductivity in MoS2 (molybdenite) can be understood in terms of the band structure of MoS2. The band structural properties of MoS2 are presented here. The energy dependence of nsub(eff) and epsilon(infinity)sub(eff) is investigated. Using calculated values of nsub(eff) and epsilon(infinity)sub(eff), the Penn gap has been determined. The value thus obtained is shown to be in good agreement with the reflectivity data and also with the value obtained from the band structure. The Ravindra and Srivastava formula has been shown to give values for the isobaric temperature gradient of Esub(G)[(deltaEsub(G)/deltaT)sub(P)], which are in agreement with the experimental data, and the contribution to (deltaEsub(G)/deltaT)sub(P) due to the electron lattice interaction has been evaluated. In addition, the electronic polarizability has been calculated using a modified Lorentz-Lorenz relation. (author)

  19. Electronic band structure and photoemission: A review and projection

    International Nuclear Information System (INIS)

    A brief review of electronic-structure calculations in solids, as a means of interpreting photoemission spectra, is presented. The calculations are, in general, of three types: ordinary one-electron-like band structures, which apply to bulk solids and are the basis of all other calculations; surface modified calculations, which take into account, self-consistently if at all possible, the presence of a vacuum-solid interface and of the electronic modifications caused thereby; and many-body calculations, which go beyond average-field approximations and consider dynamic rearrangement effects caused by electron-electron correlations during the photoemission process. 44 refs

  20. Structure of high-spin bands in 104Pd

    International Nuclear Information System (INIS)

    Complete text of publication follows. High-spin states of 104Pd were studied through the 96Zr(13C,5n) reaction at beam energies of 51 and 58 MeV, using the Euroball IV γ-ray spectrometer in conjunction with the Diamant charged particle array. On the basis of the analysis of γγγ-coincidence data, the previously known rotation-like structures (bands 1,2,3,4) have been extended up to Ex∼6, 13, 11 and 9 MeV with Iπ=(12+), (26+), (23-) and (20-), respectively. Besides the major sideband structures, two new negative parity cascades (bands 5,6) were found and built up to Ex∼8 MeV with Iπ=(17-) and (18-). The 104Pd nucleus with its 6 valence protons and 8 valence neutrons relative to 90Zr lies in the upper part of the g9/2 proton subshell and in the middle part of the d5/2, g7/2 neutron subshell where the low-Ωh11/2 orbitals intrude already at small deformations. To get a deeper insight into the structure of the observed bands, total routhian surface (trs) calculations based on the Woods-Saxon cranking formalism were performed. Comparing the experimental Routhians E' and aligned angular momenta Ix with the trs results (Fig. 1), we assign two-quasiparticle ν(h11/2)2 configuration to the positive-parity bands 1 and 2. According to this expectation, the alignment of a h11/2 neutron pair is clearly visible at ℎω∼0.4 MeV frequency with nearly the full possible alignment gain of ∼10ℎ. As in the negative-parity bands 3,4,5 and 6 the νh11/2 alignment seems to be blocked, their configuration contains one neutron in the h11/2 orbit. Furthermore, the second quasineutron is expected to have a g7/2, d5/2 origin due to their parity. This assumption is supported by the good agreement of the experimental data with the trs results and accordingly we suggest νh11/2(d5/2, g7/2) configurations for these bands.

  1. Dual-band metamaterial with a windmill-like structure

    International Nuclear Information System (INIS)

    A broadband negative refractive index metamaterial based on a windmill-like structure is proposed, and investigated numerically and experimentally at the microwave frequency range. From the numerical and experimental results, effect media parameters are retrieved, which clearly show that two broad frequency bands exist in which the permittivity and permeability are negative. The two negative bands are from 9.1 GHz to 10.5 GHz and from 12.05 GHz to 14.65 GHz respectively, and the negative bandwidth is 4 GHz. Due to the good bandwidth performance, the metallic cell with double negative property obtained in this paper is suitable for use in the design of multiband or broadband microwave devices. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  2. Simple metamaterial structure enabling triple-band perfect absorber

    International Nuclear Information System (INIS)

    Two resonators in metamaterial usually correspond only to two absorption peaks. In this report, by breaking the symmetry, we could create multi-fundamental resonances at GHz frequencies in both simulation and experiment. First, a dual-band metamaterial absorber (MA) was achieved for 4.6 and 10.6 GHz. Next, by modifying the relative position of inner square, the triple-band MA was obtained with enhanced absorption properties. In addition, dependence on the polarization of the incident electromagnetic (EM) wave was clarified. The mechanism is elucidated to be an alteration of the coupling strength, which is made by changing the geometrical configuration of the inner square and the outer ring. It is shown that our structural configuration can be applied to the fields where the interaction with a wide range of EM waves exists or is needed. (paper)

  3. Wakefield Monitor Experiments with X-Band Accelerating Structures

    CERN Document Server

    Lillestøl, Reidar; Corsini, Roberto; Döbert, Steffen; Farabolini, Wilfrid; Malina, Lukas; Pfingstner, Juergen; Wuensch, Walter

    2015-01-01

    The accelerating structures for CLIC must be aligned with a precision of a few um with respect to the beam trajectory in order to mitigate emittance growth due to transverse wake fields. We report on first results from wake field monitor tests in an X-band structure, with a probe beam at the CLIC Test Facility. The monitors are currently installed in the CLIC Two-Beam Module. In order to fully demonstrate the feasibility of using wakefield monitors for CLIC, the precision of the monitors must be verified using a probe beam while simultaneously filling the structure with high power rf used to drive the accelerating mode. We outline plans to perform such a demonstration in the CLIC Test Facility.

  4. Collective Band Structures in Neutron-Rich 108Mo Nucleus

    Institute of Scientific and Technical Information of China (English)

    DING Huai-Bo; WANG Jian-Guo; XU Qiang; ZHU Sheng-Jiang; J. H. Hamilton; A. V. Ramayya; J. K. Hwang; Y. X. Luo; J. O. Rasmussen; I. Y. Lee; CHE Xing-Lai

    2007-01-01

    High spin states in the neutron-rich 108Mo nucleus are studied by measuring prompt γ-rays following the spontaneous fission of 252Cf with a Gammasphere detector array. The ground-state band is confirmed, and the one-phonon γ-vibrational band is updated with spin up to 12 h. A new collective band with the band head level at 1422.4 keV is suggested as a two-phonon γ-vibrational band. Another new band is proposed as a two-quasi-proton excitation band. Systematic characteristics of the collective bands are discussed.

  5. Analysis of photonic band-gap structures in stratified medium

    DEFF Research Database (Denmark)

    Tong, Ming-Sze; Yinchao, Chen; Lu, Yilong;

    2005-01-01

    Purpose - To demonstrate the flexibility and advantages of a non-uniform pseudo-spectral time domain (nu-PSTD) method through studies of the wave propagation characteristics on photonic band-gap (PBG) structures in stratified medium Design/methodology/approach - A nu-PSTD method is proposed in...... the occasions where the spatial distributions contain step of up to five times larger than the original size, while simultaneously the flexibility of non-uniform sampling offers further savings on computational storage. Research limitations/implications - Research has been mainly limited to the simple...

  6. Band structure in the polymer quantization of the harmonic oscillator

    International Nuclear Information System (INIS)

    We discuss the detailed structure of the spectrum of the Hamiltonian for the polymerized harmonic oscillator and compare it with the spectrum in the standard quantization. As we will see the non-separability of the Hilbert space implies that the point spectrum consists of bands similar to the ones appearing in the treatment of periodic potentials. This feature of the spectrum of the polymeric harmonic oscillator may be relevant for the discussion of the polymer quantization of the scalar field and may have interesting consequences for the statistical mechanics of these models. (paper)

  7. Determination of the band structure of LuNi{sub 2}B{sub 2}C

    Energy Technology Data Exchange (ETDEWEB)

    Bergk, B. [Hochfeld-Magnetlabor, Forschungszentrum Rossendorf, Dresden (Germany); Inst. fuer Festkoerperphysik, Technische Univ. Dresden (Germany); Bartkowiak, M.; Ignatchik, O. [Hochfeld-Magnetlabor, Forschungszentrum Rossendorf, Dresden (Germany); Jaeckel, M. [Inst. fuer Festkoerperphysik, Technische Univ. Dresden (Germany); Wosnitza, J.; Rosner, H.; Petzold, V. [MPI fuer chemische Physik fester Stoffe, Dresden (Germany); Canfield, P. [Iowa State Univ. of Science and Technology, Ames (United States). Ames Lab., Condensed Matter Physics

    2007-07-01

    We present de Haas-van Alphen (dHvA) investigations on the nonmagnetic borocarbide superconductor LuNi{sub 2}B{sub 2}C which have been performed by use of the torque method in high magnetic fields up to 32 T and at low temperatures down to 50 mK. The complex band structure is extracted from the quantum oscillations in the normal state. In comparison with full-potential-local-orbital calculations of the band structure we are able to assign the observed dHvA frequencies to the different bands. Temperature dependent dHvA investigations allowed the extraction of the effective band masses for the several Fermi-surface sheets. We observe an enhancement of the effective masses compared to the theoretical calculations which is due to electron-phonon interaction. Finally, we are able to examine the angular dependence of the electron-phonon coupling for the different Fermi-surface sheets. (orig.)

  8. Quasiparticle band structure of thirteen semiconductors and insulators

    International Nuclear Information System (INIS)

    By using a model dielectric matrix in electron self-energy evaluations the computational effort of a quasiparticle band-structure calculation for a semiconductor is greatly reduced. Applications to various systems with or without inversion symmetry, having narrow or wide band gaps, and semiconductor alloys demonstrate the reliability and accuracy of the method. Calculations have been performed for thirteen semiconducting or insulating materials: Si, LiCl, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, and the Al0.5Ga0.5As and In0.53Ga0.47As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, E(Γ1c) of AlP, E(L1c) of AlAs, and E(L1c) of AlSb are discussed and attributed to various experimental uncertainties. Several other quasiparticle-excitation-related properties are also examined in this work. The many-body corrections to the eigenvalues of the valence-band-maximum states obtained from the local-density approximation are calculated for the zinc-blende-structure semiconductors, which are widely used in semiconductor-interface studies. In the present approach, the static screening of the Coulomb interaction between two electrons in a crystal is determined using a model that depends only on the local charge densities at these two points. Since a direct quantitative modeling of the electron self-energy operator has proven difficult, the successful application of the present model-dielectric-function scheme in self-energy calculations makes possible detailed studies of the quasiparticle properties of rather complex systems, which would be otherwise computationally too demanding

  9. Self energy corrections to the ''ab initio'' band structure: Chromium

    International Nuclear Information System (INIS)

    We describe the effect of many particle corrections to improve the electronic energy spectrum calculated in the framework of the Density Functional Formalism (DFF). We show that it is possible to consider an n particle diagram like a correction to the DFF results for electronic structure, if we take into account the electron-electron interaction with non-zero transmitted momentum q or energy ε. The model is proposed for calculating the leading term of the self-energy expansion as a power series in interactions, i.e. the second order term under the conditions q=O and ε≠O. This model is illustrated by calculating the electronic band structure and optical properties of anti ferromagnetic chromium. The self-energy correction leads to a better agreement between the theoretical calculations and experimental measurements of electronic properties. (author). 40 refs, 5 figs, 3 tabs

  10. Enhanced modeling of band nonparabolicity with application to a mid-IR quantum cascade laser structure

    International Nuclear Information System (INIS)

    We analyze the influence of conduction-band nonparabolicity on bound electronic states in the active region of a quantum cascade laser (QCL). Our model assumes expansion of the conduction-band dispersion relation up to a fourth order in wavevector and use of a suitable second boundary condition at the interface of two III-V semiconductor layers. Numerical results, obtained by the transfer matrix method, are presented for two mid-infrared GaAs/Al0.33Ga0.67As QCL active regions, and they are in very good agreement with experimental data found in the literature. Comparison with a different nonparabolicity model is presented for the example of a GaAs/Al0.38Ga0.62As-based mid-IR QCL. Calculations have also been carried out for one THz QCL structure to illustrate the possible application of the model in the terahertz part of the spectrum. (paper)

  11. Electronic band structure of the layered compound Td-WTe2

    Science.gov (United States)

    Augustin, J.; Eyert, V.; Böker, Th.; Frentrup, W.; Dwelk, H.; Janowitz, C.; Manzke, R.

    2000-10-01

    We have studied the electronic structure of the layered compound Td-WTe2 experimentally using high-resolution angle-resolved photoelectron spectroscopy, and theoretically using density-functional based augmented spherical wave calculations. Comparison of the measured and calculated data shows in general good agreement. The theoretical results reveal the semimetallic as well as metallic character of Td-WTe2; the semimetallic character is due to a 0.5 eV overlap of Te 5p- and W 5d-like bands along Γ-Y, while the metallic character is due to two classical metallic bands. The rather low conductivity of Td-WTe2 is interpreted as resulting from a low density of states at the Fermi level.

  12. Structure of negative parity yrast bands in odd mass 125-131Ce nuclei

    Indian Academy of Sciences (India)

    Arun Bharti; Suram Singh; S K Khosa

    2010-04-01

    The negative parity yrast bands of neutron-deficient 125-131Ce nuclei are studied by using the projected shell model approach. Energy levels, transition energies and (1)/(2) ratios are calculated and compared with the available experimental data. The calculations reproduce the band-head spins of negative parity yrast bands and indicate the multi-quasiparticle structure for these bands.

  13. Band Structure and Optical Properties of Ordered AuCu3

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Lengkeek, H. P.

    1979-01-01

    initio band structure obtained by the relativistic linear muffin-tin orbitals method. The band calculation reveals that ordered AuCu3 has distinct copper and gold d bands positioned in and hybridizing with an s band common to copper and gold. The calculated state density is found to be in good agreement...

  14. QUANTUM-MECHANICAL MODELING OF SPATIAL AND BAND STRUCTURE OF Y3AL5O12 SCINTILLATION CRYSTAL

    Directory of Open Access Journals (Sweden)

    I. I. Vrubel

    2016-05-01

    Full Text Available Spatial and electronic structures of a unit cell of yttrium-aluminum garnet have been studied. Quantum-mechanical model have been presented. Semi-empirical methods PM6 and PM7 have been used for geometry optimization of the crystal unit cell. Band structure has been calculated within density functional theory with the use of PBE exchange-correlation functional. Histograms of metal-oxygen distances for equilibrium geometry have been constructed. Comparison of the used methods has been carried out and recommendation about their applicability for such problems was given. The single-particle wave functions and energies have been calculated. The bandgap was estimated. The band structure was plotted. It was shown that the method gives reliable results for spatial and band structure of Y3Al5O12 scintillation crystal. The results of this work can be used for improvement of characteristics of garnet scintillation crystals.

  15. Influence of Structural Parameters on a Novel Metamaterial Absorber Structure at K-band Frequency

    Science.gov (United States)

    Cuong, Tran Manh; Thuy, Nguyen Thi; Tuan, Le Anh

    2016-05-01

    Metamaterials nowadays continue to gain attention thanks to their special electromagnetic characteristics. An increasing number of studies are being conducted on the absolute electromagnetic absorber configurations of high impedance surface materials at a certain frequency band. These configurations are usually fabricated with a layer of metal structure based on a dielectric sheet. In this study, we present an optimal design of a novel electromagnetic absorber metamaterial configuration working at a 23-GHz frequency range (K band).

  16. Analysis of the electronic structure of crystals through band structure unfolding

    Science.gov (United States)

    Gordienko, A. B.; Kosobutsky, A. V.

    2016-03-01

    In this work, we consider an alternative implementation of the band structure unfolding method within the framework of the density functional theory, which combines the advantages of the basis of localized functions and plane waves. This approach has been used to analyze the electronic structure of the ordered CuCl x Br1- x copper halide alloys and F 0 center in MgO that enables us to reveal qualitatively the features remaining hidden when using the standard supercell method, because of the complex band structure of systems with defects.

  17. X-band coaxial standing-wave linear accelerator structure

    International Nuclear Information System (INIS)

    A new high efficiency X-Band, standing-wave linear accelerator cavity structure has been developed. It utilizes a shaped coaxial cavity as the coupling cavity between accelerating cavities for π/2 mode operation, hence the overall diameter is extremely small while maintaining a very high shunt impedance. The coupling cavity and accelerating cavity are easily machined on opposite sides of a single cell, eliminating any subassembly steps. Cavity geometries were developed using the computer codes LACC and LALA. Prototype 1.5 MeV and 4.0 MeV, 20 cm long accelerators are now under development. The accelerators employ a stepped field focusing technique to keep the beam focused at low field levels. The beam dynamics code PARMELA was used to optimize the longitudinal bunching and transverse beam characteristics. The accelerator design parameters, as well as experimental results, are presented

  18. Role of interface band structure on hot electron transport

    Science.gov (United States)

    Garramone, John J.

    Knowledge of electron transport through materials and interfaces is fundamentally and technologically important. For example, metal interconnects within integrated circuits suffer increasingly from electromigration and signal delay due to an increase in resistance from grain boundary and sidewall scattering since their dimensions are becoming shorter than the electron mean free path. Additionally, all semiconductor based devices require the transport of electrons through materials and interfaces where scattering and parallel momentum conservation are important. In this thesis, the inelastic and elastic scattering of hot electrons are studied in nanometer thick copper, silver and gold films deposited on silicon substrates. Hot electrons are electron with energy greater than kBT above the Fermi level (EF). This work was performed utilizing ballistic electron emission microscopy (BEEM) which is a three terminal scanning tunneling microscopy (STM) technique that measures the percentage of hot electrons transmitted across a Schottky barrier interface. Hot electron attenuation lengths of the metals were extracted by measuring the BEEM current as a function of metal overlayer thickness for both hot electron and hot hole injection at 80 K and under ultra high vacuum. The inelastic and elastic scattering lengths were extracted by fitting the energetic dependence of the measured attenuation lengths to a Fermi liquid based model. A sharp increase in the attenuation length is observed at low injection energies, just above the Schottky barrier height, only for metals on Si(001) substrates. In contrast, the attenuation length measured on Si(111) substrates shows a sharp decrease. These results indicate that interface band structure and parallel momentum conservation have significant impact upon the transport of hot electrons across non epitaxial metal-semiconductor interfaces. In addition, they help to separate effects upon hot electron transport that are inherent to the metal

  19. Photonic band gaps with layer-by-layer double-etched structures

    International Nuclear Information System (INIS)

    Periodic layer-by-layer dielectric structures with full three-dimensional photonic band gaps have been designed and fabricated. In contrast to previous layer-by-layer structures the rods in each successive layer are at an angle of 70.5 degree to each other, achieved by etching both sides of a silicon wafer. Photonic band-structure calculations are utilized to optimize the photonic band gap by varying the structural geometry. The structure has been fabricated by double etching Si wafers producing millimeter wave photonic band gaps between 300 and 500 GHz, in excellent agreement with band calculations. Overetching this structure produces a multiply connected geometry and increases both the size and frequency of the photonic band gap, in very good agreement with experimental measurements. This new robust double-etched structure doubles the frequency possible from a single Si wafer, and can be scaled to produced band gaps at higher frequencies. copyright 1996 American Institute of Physics

  20. Phononic Band Gaps in 2D Quadratic and 3D Cubic Cellular Structures

    Directory of Open Access Journals (Sweden)

    Franziska Warmuth

    2015-12-01

    Full Text Available The static and dynamic mechanical behaviour of cellular materials can be designed by the architecture of the underlying unit cell. In this paper, the phononic band structure of 2D and 3D cellular structures is investigated. It is shown how the geometry of the unit cell influences the band structure and eventually leads to full band gaps. The mechanism leading to full band gaps is elucidated. Based on this knowledge, a 3D cellular structure with a broad full band gap is identified. Furthermore, the dependence of the width of the gap on the geometry parameters of the unit cell is presented.

  1. Enlargement of Photonic Band Gaps and Physical Picture of Photonic Band Structures

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yan; SHI Jun-Jie

    2006-01-01

    @@ Light propagation in a one-dimensional photonic crystal (PC), consisting of alternative slabs with refractive indices (layer thicknesses) n1 (a) and n2 (b), is investigated. An important optimal parameter matching condition,n1a ≈ n2b, is obtained for the largest photonic band gap (PBG). Moreover, we find that the exact analytical solutions for the electric/magnetic field eigenmodes at the band edges are standing waves with odd or even symmetry about the centre of each layer. The electric/magnetic field eigenfunctions at the top and bottom of the nth band have n and n - 1 nodes in one period of PC, respectively. The PBG arises from the symmetric differences of the field eigenfunctions at the band edges.

  2. Hyperspectral bands prediction based on inter-band spectral correlation structure

    Science.gov (United States)

    Ahmed, Ayman M.; Sharkawy, Mohamed El.; Elramly, Salwa H.

    2013-02-01

    Hyperspectral imaging has been widely studied in many applications; notably in climate changes, vegetation, and desert studies. However, such kind of imaging brings a huge amount of data, which requires transmission, processing, and storage resources for both airborne and spaceborne imaging. Compression of hyperspectral data cubes is an effective solution for these problems. Lossless compression of the hyperspectral data usually results in low compression ratio, which may not meet the available resources; on the other hand, lossy compression may give the desired ratio, but with a significant degradation effect on object identification performance of the hyperspectral data. Moreover, most hyperspectral data compression techniques exploits the similarities in spectral dimensions; which requires bands reordering or regrouping, to make use of the spectral redundancy. In this paper, we analyze the spectral cross correlation between bands for AVIRIS and Hyperion hyperspectral data; spectral cross correlation matrix is calculated, assessing the strength of the spectral matrix, we propose new technique to find highly correlated groups of bands in the hyperspectral data cube based on "inter band correlation square", and finally, we propose a new technique of band regrouping based on correlation values weights for different group of bands as network of correlation.

  3. Comparison of Model Prediction With Measurements of Galactic Background Noise at L-Band

    DEFF Research Database (Denmark)

    Le Vine, David M.; Abraham, Saji; Kerr, Yann H.;

    2005-01-01

    The spectral window at L-band (1.413 GHz) is important for passive remote sensing of surface parameters such as soil moisture and sea surface salinity that are needed to understand the hydrological cycle and ocean circulation. Radiation from celestial sources (mostly galactic) is strong in this w......The spectral window at L-band (1.413 GHz) is important for passive remote sensing of surface parameters such as soil moisture and sea surface salinity that are needed to understand the hydrological cycle and ocean circulation. Radiation from celestial sources (mostly galactic) is strong...... in this window, and an accurate accounting of this background radiation is often needed for calibration. This paper presents a comparison of the background radiation predicted by a model developed from modern radio astronomy measurements with measurements made with several modern L-band remote sensing...

  4. Comparison of High Performance Network Options: EDR InfiniBand vs.100Gb RDMA Capable Ethernet

    Energy Technology Data Exchange (ETDEWEB)

    Kachelmeier, Luke Anthony [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of New Mexico, Albuquerque, NM (United States); Van Wig, Faith Virginia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Missouri Univ. of Science and Technology, Rolla, MO (United States); Erickson, Kari Natania [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); New Mexico Inst. of Mining and Technology, Socorro, NM (United States)

    2016-08-08

    These are the slides for a presentation at the HPC Mini Showcase. This is a comparison of two different high performance network options: EDR InfiniBand and 100Gb RDMA capable ethernet. The conclusion of this comparison is the following: there is good potential, as shown with the direct results; 100Gb technology is too new and not standardized, thus deployment effort is complex for both options; different companies are not necessarily compatible; if you want 100Gb/s, you must get it all from one place.

  5. Band structure of surface barrier states and resonances

    International Nuclear Information System (INIS)

    Full text: G. Binnig and H. Rohrer, Nobel Prize Winners for the invention of the Scanning Tunneling Microscope, write in the opening sentence of one of their papers, co-authored with others : 'One of the fundamental problems in surface physics is obtaining knowledge of the electron-metal-surface interaction potential.' Although it is known that the surface barrier has an 'image' asymptotic form and saturates or weakens closer to the crystal surface, the position of the image tail, momentum dependence of the barrier height and saturation closer to the surface have not been agreed upon by different workers and techniques to this day. Ab initio calculations using the density functional approximation produce locations for the position of the image tail which differ by ∼50% depending on whether the exiting or incoming electron is considered part of the crystal or a classical charge interacting with the electron gas. Very low energy electron diffraction (VLEED), k-resolved inverse photoemission spectroscopy (KRIPES) and 2-photon photoemission spectroscopy (2PPE) are sensitive to the barrier but analyses to date have not yielded consistent conclusions. In this work we have used our plane-wave scattering method to calculate the barrier energy band structure for Cu (001) over the whole SBZ to compare with experimental results from KRIPES and 2PPE data as well as the calculation of Smith et al. This calculation used a parameterized nearly-free-electron function to represent the substrate scattering and could only produce states not resonances which occur outside of bulk band gaps and above the barrier height. As well, no inelastic scattering could be included. We show that inelastic scattering, surface restructuring and an extended data-base must be included for definitive conclusions about details of the barrier. Also, our calculation shows above-barrier resonances are strong and should be measured by experimentalists to extract the momentum dependent saturation and

  6. DeHaas-vanAlphen Effect and LMTO Band-structure of LaSn3

    DEFF Research Database (Denmark)

    Boulet, R. M.; Jan, J. -P.; Skriver, Hans Lomholt

    1982-01-01

    Results of de Haas-van Alphen experiments in the intermetallic compound LaSn3 can be explained by a linear muffin-tin orbital band structure calculation without involving the f bands of lanthanum.......Results of de Haas-van Alphen experiments in the intermetallic compound LaSn3 can be explained by a linear muffin-tin orbital band structure calculation without involving the f bands of lanthanum....

  7. True photonic band-gap mode-control in VCSEL structures

    DEFF Research Database (Denmark)

    Romstad, F.; Madsen, M.; Birkedal, Dan;

    2003-01-01

    Photonic band-gap mode confinement in novel nano-structured large area VCSEL structures is confirmed by the amplified spontaneous emission spectrum. Both guide and anti-guide VCSEL structures are experimentally characterised to verify the photonic band-gap effect.......Photonic band-gap mode confinement in novel nano-structured large area VCSEL structures is confirmed by the amplified spontaneous emission spectrum. Both guide and anti-guide VCSEL structures are experimentally characterised to verify the photonic band-gap effect....

  8. Analysis of eigenfrequencies of finite periodic structures in view of location of frequency pas- and stop-bands

    DEFF Research Database (Denmark)

    Hvatov, Alexander; Sorokin, Sergey

    2013-01-01

    cell with various boundary conditions. Two classical models of periodic structures are considered, for which closed form solutions are obtained and analyzed. The regular and irregular eigenfrequencies of periodicity cells and finite periodic structures are identified, and the eigenmodes are compared.......Analysis of wave-guide properties of infinite periodic structures is a well establish research subject. The existence of frequency stop-bands, in which transmission of the vibro-acoustic energy is impossible, suggests that these structures may be used for vibro-isolation. In any technical...... application, however, only a finite segment of such a structure can be used. This paper is concerned with comparison of the eigenfrequency spectra of finite periodic structures with location of stop-bands for their infinite counterparts. Special attention is paid to eigenfrequencies of a single periodicity...

  9. Vicarious Calibration Based Cross Calibration of Solar Reflective Channels of Radiometers Onboard Remote Sensing Satellite and Evaluation of Cross Calibration Accuracy through Band-to-Band Data Comparisons

    Directory of Open Access Journals (Sweden)

    Kohei Arai

    2013-04-01

    Full Text Available Accuracy evaluation of cross calibration through band-to-band data comparison for visible and near infrared radiometers which onboard earth observation satellites is conducted. The conventional cross calibration for visible to near infrared radiometers onboard earth observation satellites is conducted through comparisons of band-to-band data of which spectral response functions are overlapped mostly. There are the following major error sources due to observation time difference, spectral response function difference in conjunction of surface reflectance and atmospheric optical depth, observation area difference. These error sources are assessed with dataset acquired through ground measurements of surface reflectance and optical depth. Then the accuracy of the conventional cross calibration is evaluated with vicarious calibration data. The results show that cross calibration accuracy can be done more precisely if the influences due to the aforementioned three major error sources are taken into account.

  10. Band structures of ZnTe:O alloys with isolated oxygen and with clustered oxygen impurities

    International Nuclear Information System (INIS)

    Highlights: • Band structures of ZnTe:O alloy highly depends on the status of oxygen. • Clustered oxygen lowers the bandgap while isolated oxygen increases the bandgap. • The solar adsorption efficiency of ZnTe:O can be improved by oxygen clustering. -- Abstract: First-principles calculations reveal that band structures of ZnTe:O alloys highly depend on the configuration of oxygen in the alloy. For alloys with isolated oxygen, the calculated band structure shows the formation of intermediate states between valence and conduction band and the shift of conduction band to higher energy level. It expands the gap between valence and conduction band. For alloys with clustered oxygen, the formation of intermediate band is still observed, while the gap between valence and conduction band is decreased. For alloys with oxygen impurities adjacent to Zn vacancy, the band structure only shows the decrease of the gap between valence and conduction band without the formation of any intermediate band. These results suggest the critical role of Zn–O bonding in determining the energy level of the impurity states. On the basis of our results, a possible band engineering approach is suggested in order to improve the performance of ZnTe:O alloy as intermediate band solar adsorbent

  11. Photonic band structure of two-dimensional metal/dielectric photonic crystals

    International Nuclear Information System (INIS)

    An improved plane wave expansion method for the numerical calculation of photonic bands of metal/dielectric photonic crystal (PC) are presented. This method is applied to two-dimensional PCs with frequency-dependent dielectric constants. We obtained the photonic band structure of three kinds of structures: sawtooth, cylinder and hole PCs. The results show that the lowest band-1 is relatively flat, and does not approach zero. Also, there is no complete band-gap that extends throughout the first Brillouin zone for these three structures. However, there are partial band-gaps in different directions in the first Brillouin zone. For the complementary cylinder and hole PCs, their photonic bands are similar except for the lowest three bands; the hole PC’s lowest frequency of band-1 is larger than that of cylinder PC for the configuration R/d  =  0.2. (paper)

  12. Rietveld analysis and electronic bands structure on Tc superconductors systems

    International Nuclear Information System (INIS)

    A procedure for simultaneous refinement of structural and micro-structural disorder parameters for polycrystalline YBa2Cu3O7-x system is proposed. It is based on Rietveld method combined with Fourier analysis for broadened peaks Another purpose of this paper consists in electronic structure determination studied by using the self-consistent Tight Binding Linear Muffin-Tin Orbital Atomic Spheres Approximation TB-LMTO-ASA methods. The Rietveld method uses an analytical function that describes the profiles, usually pseudo-Voigt (pV) or Pearson VII (PVII). The parameters of the analytical profiles describe its amplitude, position and peak shape. The full width at half maximum (FWHM) is supposed to vary with the diffraction angle in agreement with the Caglioti, Paoletti and Ricci's relationship. The best structural parameters are determined in the least squares sense by the minimisation a classical residual using the Marquardt method. In this case, the peak profiles were modelled by the pseudo-Voigt function corrected by the instrumental asymmetry. The physical information obtained are: scale factor, lattice parameters, atomic position and displacements, atomic occupation numbers, temperature factor (isotropy or anisotropy), preferred orientation parameter, crystalline size and micro-strain along different crystallographic directions, distributions of crystallite size and micro-strain functions. This procedure was implemented on computer code and it has a friendly graphical interface based on pull down menus technique. From the experimental point of view the X-ray diffraction data were collected using a horizontal powder diffractometer in the Bragg-Brentano (BB) geometry with a Ni filtered CuKα, λ = 1.54178 A, at room temperature using a DRON 2 set-up. The diffraction profiles were measured with a proportional gas detector, a single channel pulse-height discrimination and a standard associated counting circuit. The electronic band calculations are based on the TB

  13. On the Design of Laser Structured Ka Band Multi-Chip Module

    Directory of Open Access Journals (Sweden)

    Ghulam Mehdi

    2013-09-01

    Full Text Available The rapid prototyping of millimeter wave (MMW multi-chip module (MCM on low-cost ceramic-polymer composite substrate using laser ablation process is presented. A Ka band MCM front-end receiver is designed, fabricated and tested. The complete front-end receiver module except the IF and power distribution sections is realized on the single prescribed substrate. The measured receiver gain, noise figure and image rejection is 37 dB, 4.25 dB and 40 dB respectively. However, it deduced from the experimental results of the two front-end modules that the complex permittivity characteristics of the substrate are altered after the laser ablation process. The effective permittivity alteration phenomenon is further validated through the characterization and comparison of various laser ablated and chemically etched Ka band parallel-coupled band-pass filters. A simple and experimentally verified method is worked out to utilize the laser ablation structuring process on the prescribed substrate. It is anticipated that the proposed method can be applied to other laminated substrates as well with the prescribed manufacturing process.

  14. Miniaturization of electromagnetic band gap structures for mobile applications

    Science.gov (United States)

    Goussetis, G.; Feresidis, A. P.; Palikaras, G. K.; Kitra, M.; Vardaxoglou, J. C.

    2005-12-01

    It is well known that interference of the human body affects the performance of the antennas in mobile phone handsets. In this contribution, we investigate the use of miniaturized metallodielectric electromagnetic band gap (MEBG) structures embedded in the case of a mobile handset as a means of decoupling the antenna from the user's hand. The closely coupled MEBG concept is employed to achieve miniaturization of the order of 15:1. Full wave dispersion relations for planar closely coupled MEBG arrays are presented and are validated experimentally. The performance of a prototype handset with an embedded conformal MEBG is assessed experimentally and is compared to a similar prototype without the MEBG. Reduction in the detuning of the antenna because of the human hand by virtue of the MEBG is demonstrated. Moreover, the efficiency of the handset when loaded with a human hand model is shown to improve when the MEBG is in place. The improvements are attributed to the decoupling of the antenna from the user's hand, which is achieved by means of suppressing the fields in the locality of the hand.

  15. Theoretical study of relative width of photonic band gap for the 3-D dielectric structure

    Indian Academy of Sciences (India)

    G K Johri; Akhilesh Tiwari; Saumya Saxena; Rajesh Sharma; Kuldeep Srivastava; Manoj Johri

    2002-03-01

    Calculations for the relative width (/0) as a function of refractive index and relative radius of the photonic band gap for the fcc closed packed 3-D dielectric microstructure are reported and comparison of experimental observations and theoretical predictions are given. This work is useful for the understanding of photonic crystals and occurrence of the photonic band gap.

  16. Comparisons of Aquarius Measurements over Oceans with Radiative Transfer Models at L-Band

    Science.gov (United States)

    Dinnat, E.; LeVine, D.; Abraham, S.; DeMattheis, P.; Utku, C.

    2012-01-01

    The Aquarius/SAC-D spacecraft includes three L-band (1.4 GHz) radiometers dedicated to measuring sea surface salinity. It was launched in June 2011 by NASA and CONAE (Argentine space agency). We report detailed comparisons of Aquarius measurements with radiative transfer model predictions. These comparisons are used as part of the initial assessment of Aquarius data and to estimate the radiometer calibration bias and stability. Comparisons are also being performed to assess the performance of models used in the retrieval algorithm for correcting the effect of various sources of geophysical "noise" (e.g. Faraday rotation, surface roughness). Such corrections are critical in bringing the error in retrieved salinity down to the required 0.2 practical salinity unit on monthly global maps at 150 km by 150 km resolution.

  17. Band Structure and Fermi-Surface Properties of Ordered beta-Brass

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Christensen, N. E.

    1973-01-01

    The band structure of ordered β-brass (β′-CuZn) has been calculated throughout the Brillouin zone by the augmented-plane-wave method. The present band model differs from previous calculations with respect to the position and width of the Cu 3d band. The derived dielectric function ε2(ω) and the...

  18. Cytotoxicity Comparison of the Nanoparticles Deposited on Latex Rubber Bands between the Original and Stretched State

    Directory of Open Access Journals (Sweden)

    Jung-Hwan Lee

    2014-01-01

    Full Text Available Understanding the biocompatibility of nanoparticles in dental materials is essential for their safe usage in the oral cavity. In this study, we investigated whether nanoparticles deposited on orthodontic latex rubber bands are involved in the induction of cytotoxicity. A method of stretching to three times (“3L” the length of the latex rubber bands was employed to detach the particles using the original length (“L” for comparison. The cytotoxicity tests were performed on extracts with mouse fibroblasts (L929 and human gingival fibroblasts (HGFs. Fourier transform infrared spectroscopy, ion chromatography, elemental analysis, and inductively coupled plasma mass spectrometry (ICP-MS were performed to detect the harmful components in the extracts from rubber bands. There was a significant decrease in the cell viability in the “L” samples compared with the “3L” samples (P<0.05 in the L929 and HGF cells. This was due to the Ni single crystal nanoparticles (~50nm from the inner surface of “L” samples that were detached in the “3L” samples as well as the Zn ion (~9 ppm detected in the extract. This study revealed that the Ni nanoparticles, as well as Zn ions, were involved in the induction of cytotoxicity from the latex rubber bands.

  19. Examination of band comparison and application at 426 KHz to the measurement of shower ionization radio emission

    International Nuclear Information System (INIS)

    The motivation for this work is the study of thundercloud radio emission from extensive air showers. The ionization electrons from an extensive air shower constitute a current pulse whose amplitude is modulated by the thundercloud field. The concept of band comparison is investigated for white noise, and a modified form of band comparison is developed based on comparing the average, taken over a finite time interval, of the square of the signal amplitude at the output of one narrow band filter to that at the other. It is found that prefiltering of the signal with a filter having the same center frequency as the two band comparison filters, but a wider band pass than either one of them, has no effect on the band comparison properties of a pure transient, while for the noise, the Q of the prefilter is effectively added to the Q's of the two band comparison filters. After consideration of the properties of band comparison, a combined band comparison and signal-to-noise ratio test is developed for use in our measurements of shower ionization of radio emission from thundercloud fields. Data were taken during five thunderstorms which occurred during the summer of 1975. To the sensitivity of our instrumentation (about 105 V/m for the thundercloud field), there is no evidence of shower ionization radio emission in this data. One concludes that fields on the order of 105 V/m are either generally confined to small regions of a thundercloud, or that the field distribution in the cloud is so complicated as to obscure the modulation of the shower ionization electron current

  20. Band structure of sup 7 sup 9 Br

    CERN Document Server

    Ray, I; Bhattacharya, S; Saha-Sarkar, M; Sethi, B; Chatterjee, J M; Chattopadhyay, S; Goswami, A; Muralithar, S; Singh, R P; Bhowmik, R K

    1999-01-01

    High-spin states of sup 7 sup 9 Br have been studied in the reaction sup 7 sup 6 Ge( sup 7 Li, 4n gamma) at 32 MeV. A gamma-detector array with twelve Compton-suppressed HPGe detectors was used. The positive-parity yrast states, interpreted as a rotationally aligned g sub ( sub 9 sub ( sub 2 sub ) sub ) proton band, and the negative-parity ground state band have been extended to spins of (33(2 sup +)) and (25(2 sup -)), respectively. Lifetime measurements indicate that both bands have a similar quadrupole deformation of beta sub 2 approx 0.2. The positive-parity alpha = -(1(2)) band has been identified. Several new inter-band transitions are observed. A cranked-shell model analysis shows that the nu g sub ( sub 9 sub ( sub 2 sub ) sub ) and pi g sub ( sub 9 sub ( sub 2 sub ) sub ) alignments occur in the positive-parity and the negative-parity bands at rotational frequencies of Planck constant omega approx 0.6 and 0.4 MeV, respectively. The level energies and the electromagnetic properties of the g sub ( sub ...

  1. First principle study of band structure of SrMO3 perovskites

    Science.gov (United States)

    Daga, Avinash; Sharma, Smita

    2016-05-01

    First principle study of band structure calculations in the local density approximations (LDA) as well as in the generalized gradient approximations (GGA) have been used to determine the electronic structure of SrMO3 where M stands for Ti, Zr and Mo. Occurrence of band gap proves SrTiO3 and SrZrO3 to be insulating. A small band gap is observed in SrMoO3 perovskite signifies it to be metallic. Band structures are found to compare well with the available data in the literature showing the relevance of this approach. ABINIT computer code has been used to carry out all the calculations.

  2. Broad-band detection and mass comparison between lithium ions by FT-ICR MS

    Energy Technology Data Exchange (ETDEWEB)

    Golzke, Hendrik [Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany); Institut fuer Experimentelle Kernphysik, Karlsruher Institut fuer Technologie, Karlsruhe (Germany); Blaum, Klaus; Heck, Michael; Ubieto-Diaz, Marta [Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany); Cakirli, R. Burcu [Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany); Department of Physics, University of Istanbul, Istanbul (Turkey); Rodriguez, Daniel [Departamento de Fisica Atomica Molecular y Nuclear, Universidad de Granada, Granada (Spain); Schweikhard, Lutz [Institute of Physics, Ernst-Moritz-Arndt-University Greifswald, Greifswald (Germany); Stahl, Stefan [Stahl Electronics, Kellerweg 23, 67528 Mettenheim (Germany)

    2012-07-01

    Penning traps are widely used as storage devices for charged particles. With such a trap a mass-spectrometry system for the KArlsruhe TRItium Neutrino (KATRIN) experiment has been developed and characterized at the Max-Planck-Institute for Nuclear Physics in Heidelberg. A broad-band non-destructive Fourier Transform Ion Cyclotron Resonance (FT-ICR) method which is able to record simultaneously the eigenfrequencies of different stored particles over a wide range is used. In this talk the dipolar and quadrupolar detection technique and a recent mass comparison between {sup 6}Li{sup +} and {sup 7}Li{sup +} are presented.

  3. Relationships between magnetic foot points and G-band bright structures

    OpenAIRE

    Ishikawa, R.; Tsuneta, S.; Kitakoshi, Y.; Katsukawa, Y.; Bonet, J. A.; Domínguez, S. Vargas; van der Voort, L. H. M. Rouppe; Sakamoto, Y; Ebisuzaki, T.

    2008-01-01

    Magnetic elements are thought to be described by flux tube models, and are well reproduced by MHD simulations. However, these simulations are only partially constrained by observations. We observationally investigate the relationship between G-band bright points and magnetic structures to clarify conditions, which make magnetic structures bright in G-band. The G-band filtergrams together with magnetograms and dopplergrams were taken for a plage region covered by abnormal granules as well as u...

  4. Comparison between Ultroid and Rubber Band Ligation in Treatment of Internal Hemorrhoids

    Directory of Open Access Journals (Sweden)

    Rasoul Azizi

    2010-11-01

    Full Text Available "nHemorrhoid is one of the most common surgical diseases and different methods are available for its treatment. This study is a comparison between two methods of treatment of internal hemorrhoid, Monopolar low voltage instrument (Ultroid and Rubber Band Ligation. This method has been carried out prospectively in which 50 patients who were treated with rubber band ligation and 50 patients with Ultroid were compared according to the incidence of complications, post-operative pain and treatment response. According to this study complete success rate with Ultroid was 82% and partial success rate was 10% and no response to treatment was seen in 8%. In Rubber Band method the complete response rate was 94% (P=0.2. With Ultroid, 74% of patient reported no postoperative pain, 24% reported mild and moderate pain and 2% of patients complained of severe pain. With Rubber band ligation, 72% of patients reported no post-operative pain, 26% reported mild and moderate pain and 1% complained of severe pain (P=0.00. Rubber Band ligation and Ultroid are both considered as outpatient procedures for treatment of hemorrhoids. Both methods are mostly used for grade 1, 2 and sometime grade 3 hemorrhoids. In Ultroid method the operator is required to hold the probe for a period of time, and in most cases, the surgeon should spend between 20-25 minutes for the coagulation of three piles. Some surgeons do not have patience for this modality of internal hemorrhoid treatment. In this study we achieved acceptable results comparable with those of other techniques.

  5. Design and analysis of defected ground structure transformer for dual-band antenna

    Directory of Open Access Journals (Sweden)

    Wai-Wa Choi

    2014-12-01

    Full Text Available This study presents a novel dual-band antenna design methodology utilising a dual-frequency impedance transformer with defected ground structure (DGS. The proposed dual-frequency DGS impedance transformer generates a second resonant frequency from a conventional single-band antenna, resulting dual-band operation. Simulation studies illustrate that the adopted design achieves versatile configurations for arbitrary operating frequencies and diverse input impedance ranges in planar antenna structures. To experimentally verify the proposed design methodology, a dual-frequency DGS impedance transformer was implemented for a 2.4 GHz monopole antenna to obtain a 900/2400 MHz dual-band antenna. Measurement shows that the 10 dB return loss bandwidth in 900 MHz band is 34.4 MHz, whereas that in 2400 MHz band is wider than 530 MHz. Typical monopole radiation patterns are observed at both operating bands.

  6. Band structures in silicene on monolayer gallium phosphide substrate

    Science.gov (United States)

    Ren, Miaojuan; Li, Mingming; Zhang, Changwen; Yuan, Min; Li, Ping; Li, Feng; Ji, Weixiao; Chen, Xinlian

    2016-07-01

    Opening a sizable band gap in the zero-gap silicene is a key issue for its application in nanoelectronics. We design new 2D silicene and GaP heterobilayer (Si/GaP HBL) composed of silicene and monolayer (ML) GaP. Based on first-principles calculations, we find that the interaction energies are in the range of -295.5 to -297.5 meV per unit cell, indicating a weak interaction between silicene and gallium phosphide (GaP) monolayer. The band gap changes ranging from 0.06 to 0.44 eV in hybrid HBLs. An unexpected indirect-direct band gap crossover is also observed in HBLs, dependent on the stacking pattern. These provide a possible way to design effective FETs out of silicene on GaP monolayer.

  7. New bismuth borophosphate Bi4BPO10: Synthesis, crystal structure, optical and band structure analysis

    International Nuclear Information System (INIS)

    New bismuth borophosphate Bi4BPO10 was obtained by spontaneous crystallization from the melt of correspondent composition at 804 °C. Crystal structure with orthorhombic lattice parameters: a = 22.5731(3) Å, b = 14.0523(2) Å, c = 5.5149(1) Å, V = 1749.34(4), Z = 8, SG Pcab was determined by X-ray powder diffraction technique. The [Bi2O2]2+ -layers, which are typical for bismuth oxide compounds, transform into cationic endless strips of 4 bismuth atoms width directed along the c-axis in Bi4BPO10. The strips combining stacks are separated by flat triangle [BO3]3− -anions within stacks. Neighboring stacks are separated by tetrahedral [PO4]3−-anions and shifted relatively to each other. Bismuth atoms are placed in 5–7 vertex oxygen irregular polyhedra. Bi4BPO10 is stable up to 812 °C, then melts according to the peritectic law. The absorption spectrum in the range 350–700 nm was obtained and the width of the forbidden band was estimated as 3.46 eV. The band electronic structure of Bi4BPO10 was modeled using DFT approach. The calculated band gap (3.56 eV) is in good agreement with the experimentally obtained data. - Graphical abstract: Display Omitted - Highlights: • New bismuth borophosphate with composition Bi4BPO10 was synthesized. • The crystal structure was determined by X-ray powder diffraction technique. • Bismuth-oxygen part [Bi4O3]6+ forms endless strips of 4 bismuth atoms width. • Electronic structure was modeled by DFT method. • The calculated band gap (3.56 eV) is very close to the experimental one (3.46 eV)

  8. Photonic band structures in one-dimensional photonic crystals containing Dirac materials

    International Nuclear Information System (INIS)

    We have investigated the band structures of one-dimensional photonic crystals (1DPCs) composed of Dirac materials and ordinary dielectric media. It is found that there exist an omnidirectional passing band and a kind of special band, which result from the interaction of the evanescent and propagating waves. Due to the interface effect and strong dispersion, the electromagnetic fields inside the special bands are strongly enhanced. It is also shown that the properties of these bands are invariant upon the lattice constant but sensitive to the resonant conditions

  9. Phononic First Band Gap of Quaternary Layered Periodic Structure with the Lumped-Mass Method

    Directory of Open Access Journals (Sweden)

    Chen Yuan

    2014-01-01

    Full Text Available Existing band gap analysis is mostly focused on the binary structure, while the researches on the quaternary layered periodic structure are still lacking. In this paper, the unidimensional lumped-mass method in the phonic crystal theory is firstly improved so that the material viscoelasticity can be taken into consideration. Then, the binary layered periodic structure is converted into a quaternary one and band gaps appear at low frequency range. Finally, the effects of density, elastic modulus, damping ratio, and the thickness of single material on the first band gap of the quaternary layered periodic structure are analyzed after the algorithm is promoted. The research findings show that effects of density, elastic modulus, and thickness of materials on the first band gap are considerable but those of damping ratio are not so distinct. This research provides theoretical bases for band gap design of the quaternary layered periodic structure.

  10. Electronic band structure of tetracene-TCNQ and perylene-TCNQ compounds

    OpenAIRE

    Shokaryev, I.; Buurma, A. J. C.; Jurchescu, O. D.; Uijttewaal, M. A.; de Wijs, G.A.; Palstra, T. T. M.; Groot, R.A. de

    2008-01-01

    The relationship between the crystal structures, band structures, and electronic properties of acene-TCNQ complexes has been investigated. We focus on the newly synthesized crystals of the charge-transfer salt tetracene-TCNQ and similar to it. perylene-TCNQ, potentially interesting for realization of ambipolar transport. The band structures were calculated from first principles using density-functional theory (DFT). Despite the similarity in the crystal structures of the acene-TCNQ complexes ...

  11. Structural comparison of contractile nanomachines

    Directory of Open Access Journals (Sweden)

    Sebastian Kube

    2015-05-01

    Full Text Available Contractile molecular machines are a common feature among bacteriophages and prokaryotes. Due to their stability and the large size, contractile-tailed bacteriophages are traditionally investigated by electron microscopic methods. Complemented by crystallographic studies, a molecular model of contraction for the T4 phage was developed. Lately, also related contractile structures like the Photorhabdus virulence cassette-like particles, the R-Type pyocins and the contractile tubule of the bacterial Type VI secretion system have been analyzed by cryo electron microscopy. Photorhabdus virulence cassette particles and R-Type pyocins are toxin complexes reminiscent of bacteriophage tails that are secreted by bacteria to kill their insect host or competing bacteria. In contrast, the Type VI secretion system is an intracellular apparatus for injection of effector proteins into bacterial and eukaryotic cells. Although it shares homology with other contractile systems, the Type VI secretion system is additionally equipped with a recycling function, which makes it suitable for multiple rounds of action. Starting from the 3D reconstructions, we compare these molecular machines structurally and functionally to their viral counterparts and summarize the current knowledge on their respective mode of action.

  12. The band structures of BSb and BxGa1-xSb alloys

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The band structures of BSb and BxGa1-xSb alloys are studied using first-principles calculations in the generalized gradient approximation. By SQS-8 supercells to model a random alloy, the direct transition energy-gap (Γ15v- Γ1c) bowing of 3.0 eV is obtained for BxGa1-xSb alloys in x = 0-50%, in x = 0-11% the energy-gap is the band-gap and increases by 7 meV/%B with boron composition increasing; by SQS-16 supercells the bowing parameter is about 1.9 eV in x = 0-12.5%. The formation enthalpies of mixing, ΔH, are calculated for BxGa1-xAs and BxGa1-xSb alloys. A comparison of enthalpies indicates that BxGa1-xSb films with boron composition of 7% may be possible.

  13. The band structures of BSb and BxGa1-xSb alloys

    Institute of Scientific and Technical Information of China (English)

    XIONG DePing; ZHOU ShouLi; WANG Qi; LUO Li; HUANG YongQing; REN XiaoMin

    2009-01-01

    The band structures of BSb and BxGa1-xSb alloys are studied using first-principles calculations in the generalized gradient approximation. By SQS-8 supercells to model a random alloy, the direct transition energy-gap (Γ15v-Γ1c) bowing of 3.0 eV is obtained for BxGa1-xSb alloys in x=0-50%, in x=0-11% the energy-gap is the band-gap and increases by 7 meV/%B with boron composition increasing; by SQS-16 supercells the bowing parameter is about 1.9 eV in x= 0-12.5%. The formation enthalpies of mixing, ΔH,are calculated for BxGa1-xAs and BxGa1-xSb alloys. A comparison of enthalpies indicates that BxGa1-xSb films with boron composition of 7% may be possible.

  14. Phononic band gaps and vibrations in one- and two-dimensional mass-spring structures

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard

    2003-01-01

    The vibrational response of finite periodic lattice structures subjected to periodic loading is investigated. Special attention is devoted to the response in frequency ranges with gaps in the band structure for the corresponding infinite periodic lattice. The effects of boundaries, viscous damping......, and imperfections are studied by analyzing two examples; a 1-D filter and a 2-D wave guide. In 1-D the structural response in the band gap is shown to be insensitive to damping and small imperfections. In 2-D the similar effect of damping is noted for one type of periodic structure, whereas for...... another type the band gap effect is nearly eliminated by damping. In both 1-D and 2-D it is demonstrated how the free structural boundaries affect the response in the band gap due to local resonances. Finally, 2-D wave guides are considered by replacing the periodic structure with a homogeneous structure...

  15. High-Pressure Crystal Structure, Lattice Vibrations, and Band Structure of BiSbO4.

    Science.gov (United States)

    Errandonea, Daniel; Muñoz, Alfonso; Rodríguez-Hernández, Placida; Gomis, Oscar; Achary, S Nagabhusan; Popescu, Catalin; Patwe, Sadeque J; Tyagi, Avesh K

    2016-05-16

    The high-pressure crystal structure, lattice-vibrations, and electronic band structure of BiSbO4 were studied by ab initio simulations. We also performed Raman spectroscopy, infrared spectroscopy, and diffuse-reflectance measurements, as well as synchrotron powder X-ray diffraction. High-pressure X-ray diffraction measurements show that the crystal structure of BiSbO4 remains stable up to at least 70 GPa, unlike other known MTO4-type ternary oxides. These experiments also give information on the pressure dependence of the unit-cell parameters. Calculations properly describe the crystal structure of BiSbO4 and the changes induced by pressure on it. They also predict a possible high-pressure phase. A room-temperature pressure-volume equation of state is determined, and the effect of pressure on the coordination polyhedron of Bi and Sb is discussed. Raman- and infrared-active phonons were measured and calculated. In particular, calculations provide assignments for all the vibrational modes as well as their pressure dependence. In addition, the band structure and electronic density of states under pressure were also calculated. The calculations combined with the optical measurements allow us to conclude that BiSbO4 is an indirect-gap semiconductor, with an electronic band gap of 2.9(1) eV. Finally, the isothermal compressibility tensor for BiSbO4 is given at 1.8 GPa. The experimental (theoretical) data revealed that the direction of maximum compressibility is in the (0 1 0) plane at ∼33° (38°) to the c-axis and 47° (42°) to the a-axis. The reliability of the reported results is supported by the consistency between experiments and calculations. PMID:27128858

  16. Recent Results from Broad-Band Intensity Mapping Measurements of Cosmic Large Scale Structure

    Science.gov (United States)

    Zemcov, Michael B.; CIBER, Herschel-SPIRE

    2016-01-01

    Intensity mapping integrates the total emission in a given spectral band over the universe's history. Tomographic measurements of cosmic structure can be performed using specific line tracers observed in narrow bands, but a wealth of information is also available from broad-band observations performed by instruments capable of capturing high-fidelity, wide-angle images of extragalactic emission. Sensitive to the continuum emission from faint and diffuse sources, these broad-band measurements provide a view on cosmic structure traced by components not readily detected in point source surveys. After accounting for measurement effects and astrophysical foregrounds, the angular power spectra of such data can be compared to predictions from models to yield powerful insights into the history of cosmic structure formation. This talk will highlight some recent measurements of large scale structure performed using broad-band intensity mapping methods that have given new insights on faint, distant, and diffuse components in the extragalactic background light.

  17. Band structures of TiO2 doped with N, C and B

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    This study on the band structures and charge densities of nitrogen (N)-, carbon (C)- and boron (B)-doped titanium dioxide (TiO2) by first-principles simulation with the CASTEP code (Segall et al., 2002) showed that the three 2p bands of impurity atom are located above the valence-band maximum and below the Ti 3d bands, and that along with the decreasing of impurity atomic number, the fluctuations become more intensive. We cannot observe obvious band-gap narrowing in our result.Therefore, the cause of absorption in visible light might be the isolated impurity atom 2p states in band-gap rather than the band-gap narrowing.

  18. Novel structure for magnetic rotation bands in 60Ni

    OpenAIRE

    Zhao, P. W.; Zhang, S.Q.; Peng, J.; H.Z. Liang; Ring, P.; Meng, J

    2011-01-01

    The self-consistent tilted axis cranking relativistic mean-field theory based on a point-coupling interaction has been established and applied to investigate systematically the newly observed shears bands in 60Ni. The tilted angles, deformation parameters, energy spectra, and reduced M1 and $E2$ transition probabilities have been studied in a fully microscopic and self-consistent way for various configurations and rotational frequencies. It is found the competition between the configurations ...

  19. Band structures in 98Ru and 99Ru

    International Nuclear Information System (INIS)

    The level schemes of 98sup(,)99Ru were studied with the reactions 8Mo(α,3nγ) and 98Mo(α,4nγ) at Esub(α) = 35 to 55 MeV, using a large variety of in-beam γ-ray detection techniques and conversion-electron measurements. A search for the 3- state was carried out with the reaction 98Ru(p,p'). The ground-state band of 98Ru was excited up to Jsup(π) = (12)+ and a negative-parity band up to (15)-. New levels in 98Ru were found at Esub(x) = 2285 (Jsup(π) = 4+), 2435 (Jsup(π) = (3-,4+), 2671, 3540, 4224, 4847, 4915 (Jsup(π) = (12)sup()), 4989 (Jsup(π) = (12sup())), 5521 (Jsup(π) = (13)-), 5889, 6591 (Jsup(π) = (15)-), and 7621 keV. New unambiguous spin and parity assignments were made for the levels at Esub(x) = 2014 and 3852 keV, as Jsup(π) = 3+ and 9-, respectivley. New levels in 99Ru were found at Esub(x) = 1976, 2021 (Jsup(π) = (15/2+)), 2393, 2401 (Jsup(π) = (17/2+)), 2875 (π = (+)), 3037, 3201 (Jsup(π) = (23/2)-), 3460 (J = (17/2)), 3484 (Jsup(π) = (21/2+)), 3985, 4224 (Jsup(π) = (27/2-)), and 5359 keV. The 1070 keV, Jsup(π) = 11/2- level in 99Ru has a half-life of 2.8 ns. A strongly excited negative-parity band is built on this level. A positive-parity band based on the ground state was excited up to Jsup(π) = (21/2+). The level schemes are well reproduced by the interacting boson model in the vibrational limit. (orig.)

  20. Electron momentum density, band structure, and structural properties of SrS

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, G., E-mail: gsphysics@gmail.com [University of Kota, Department of Pure and Applied Physics (India); Munjal, N.; Vyas, V. [Banasthali University, Department of Physics (India); Kumar, R.; Sharma, B. K. [University of Rajasthan, Department of Physics (India); Joshi, K. B. [MLS University, Department of Physics (India)

    2013-10-15

    The electron momentum density, the electronic band structure, and the structural properties of SrS are presented in this paper. The isotropic Compton profile, anisotropies in the directional Compton profiles, the electronic band structure and density of states are calculated using the ab initio periodic linear combination of atomic orbitals method with the CRYSTAL06 code. Structural parameters of SrS-lattice constants and bulk moduli in the B1 and B2 phases-are computed together with the transition pressure. The computed parameters are well in agreement with earlier investigations. To compare the calculated isotropic Compton profile, measurement on polycrystalline SrS is performed using 5Ci-{sup 241}Am Compton spectrometer. Additionally, charge transfer is studied by means of the Compton profiles computed from the ionic model. The nature of bonding in the isovalent SrS and SrO compounds is compared on the basis of equal-valenceelectron-density profiles and the bonding in SrS is found to be more covalent than in SrO.

  1. Study of III-V semiconductor band structure by synchrotron photoemission

    International Nuclear Information System (INIS)

    Angle-resolved synchrotron photoemission studies of six III-V semiconductors have been carried out. For emission normal to the (110) plane of these materials, peaks in the experimental spectra were identified with the bands involved in the transitions, and the critical point energies X3, X5, and Σ1/sup min/, were determined. The data indicate that k perpendicular is conserved in the transitions. Comparison of the data with theoretical bands permits an evaluation of k perpendicular associated with the experimentally observed transition, and from this information the bands were plotted out

  2. Obtaining the band structure of a complicated photonic crystal by linear operations

    Institute of Scientific and Technical Information of China (English)

    吴良; 叶卓; 何赛灵

    2003-01-01

    Absolute band gaps can be created by lifting the degeneracy in the bands of a photonic crystal.To calculate the band structure of a complicated photonic crystal generated by e.g.symmetry breaking,general forms of all possible linear operations are presented in terms of matrices and a procedure to combine these operations is given.Other forms of linear operations(such as the addition,subtraction,and translation transforms) are also presented to obtain an explicit expression for the Fourier coefficient of the dielectric function in the plane-wave expansion method.With the present method,band structures for various complicated photonic crystals(related through these linear operations) can be obtained easily and quickly.As a numerical example,a large absolute band gap for a complicated photonic crystal structure of GaAs is found in the high region of normalized frequency.

  3. 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.

  4. Detailed study of the TE band structure of two dimensional metallic photonic crystals with square symmetry

    International Nuclear Information System (INIS)

    By virtue of the efficiency of the Dirichlet-to-Neumann map method, we have calculated, for H-polarization (TE mode), the band structure of 2D photonic crystals with a square lattice composed of metallic rods embedded in an air background. The rod in the unit cell is chosen to be circular in shape. Here, from a practical point of view, in order to obtain maximum band gaps, we have studied the band structure as a function of the size of the rods. We have also studied the flat bands appearing in the band structures and have shown that for frequencies around the surface plasmon frequency, the modes are highly localized at the interface between the metallic rods and the air background.

  5. Structure of Dipole Bands in 112In: Through Lifetime Measurement

    International Nuclear Information System (INIS)

    High-spin states of the 112In nucleus have been populated via 100Mo(16O, p3n) reaction at 80 MeV beam energy. Lifetimes of excited states of dipole bands have been measured using Doppler-shift attenuation method. The B(M1) transition rates deduced from the measured lifetimes show a rapid decrease with increasing angular momentum. The decrease in B(M1) values are well accounted by the prediction of tilted axis cranking calculations. These measurements confirm the presence of shears mechanism in this nuclei.

  6. Quasiparticle electronic band structure of the alkali metal chalcogenides

    Directory of Open Access Journals (Sweden)

    S.V. Syrotyuk

    2015-09-01

    Full Text Available The electronic energy band spectra of the alkali metal chalcogenides M2A (M: Li, Na, K, Rb; A: O, S, Se, Te have been evaluated within the projector augmented waves (PAW approach by means of the ABINIT code. The Kohn-Sham single-particle states have been found in the GGA framework. Further, on the basis of these results the quasiparticle energies of electrons as well as the dielectric constants were obtained in the approximation GW. The calculations based on the Green's function have been originally done for all the considered M2A crystals, except Li2O.

  7. Determination of conduction and valence band electronic structure of anatase and rutile TiO2

    Indian Academy of Sciences (India)

    Jakub Szlachetko; Katarzyna Michalow-Mauke; Maarten Nachtegaal; Jacinto Sá

    2014-03-01

    Electronic structures of rutile and anatase polymorph of TiO2 were determined by resonant inelastic X-ray scattering measurements and FEFF9.0 calculations. Difference between crystalline structures led to shifts in the rutile Ti -band to lower energy with respect to anatase, i.e., decrease in band gap. Anatase possesses localized states located in the band gap where electrons can be trapped, which are almost absent in the rutile structure. This could well explain the reported longer lifetimes in anatase. It was revealed that HR-XAS is insufficient to study in-depth unoccupied states of investigated materials because it overlooks the shallow traps.

  8. Compact electromagnetic bandgap structures for notch band in ultra-wideband applications.

    Science.gov (United States)

    Rotaru, Mihai; Sykulski, Jan

    2010-01-01

    This paper introduces a novel approach to create notch band filters in the front-end of ultra-wideband (UWB) communication systems based on electromagnetic bandgap (EBG) structures. The concept presented here can be implemented in any structure that has a microstrip in its configuration. The EBG structure is first analyzed using a full wave electromagnetic solver and then optimized to work at WLAN band (5.15-5.825 GHz). Two UWB passband filters are used to demonstrate the applicability and effectiveness of the novel EBG notch band feature. Simulation results are provided for two cases studied. PMID:22163430

  9. Band gap structure modification of amorphous anodic Al oxide film by Ti-alloying

    DEFF Research Database (Denmark)

    Canulescu, Stela; Rechendorff, K.; Borca, C. N.;

    2014-01-01

    The band structure of pure and Ti-alloyed anodic aluminum oxide has been examined as a function of Ti concentration varying from 2 to 20 at. %. The band gap energy of Ti-alloyed anodic Al oxide decreases with increasing Ti concentration. X-ray absorption spectroscopy reveals that Ti atoms are not...

  10. Band Structure and Quantum Confined Stark Effect in InN/GaN superlattices

    DEFF Research Database (Denmark)

    Gorczyca, I.; Suski, T.; Christensen, Niels Egede;

    2012-01-01

    InN/GaN superlattices offer an important way of band gap engineering in the blue-green range of the spectrum. This approach represents a more controlled method than the band gap tuning in quantum well systems by application of InGaN alloys. The electronic structures of short-period wurtzite InN/G...

  11. Acoustic band pinning in the phononic crystal plates of anti-symmetric structure

    Institute of Scientific and Technical Information of China (English)

    Cai Chen; Zhu Xue-Feng; Chen Qian; Yuan Ying; Liang Bin; Cheng Jian-Chun

    2011-01-01

    Acoustic bands are studied numerically for a Lamb wave propagating in an anti-symmetric structure of a onedimensional periodic plate by using the method of supercell plane-wave expansion.The results show that all the bands are pinned in pairs at the Brillouin zone boundary as long as the anti-symmetry remains and acoustic band gaps (ABGs) only appear between certain bands.In order to reveal the relationship between the band pinning and the anti-symmetry,the method of eigenmode analysis is introduced to calculate the displacement fields of different plate structures.Further,the method of harmony response analysis is employed to calculate the reference spectra to verify the accuracy of numerical calculations of acoustic band map,and both the locations and widths of ABGs in the acoustic band map are in good agreement with those of the reference spectra.The investigations show that the pinning effect is very sensitive to the anti-symmetry of periodic plates,and by introducing different types of breakages,more ABGs or narrow pass bands will appear,which is meaningful in band gap engineering.

  12. Multi-large low-frequency band gaps in a periodic hybrid structure

    Science.gov (United States)

    Wang, T.; Sheng, M. P.; Guo, H. B.

    2016-03-01

    A hybrid structure composed of a local resonance mass and an external oscillator is proposed in this paper for restraining the elastic longitudinal wave propagation. Theoretical model has been established to investigate the dispersion relation and band gaps of the structure. The results show that the hybrid structure can produce multi-band gaps wider than the multi-resonator acoustic metamaterials. It is much easier for the hybrid structure to yield wide and low band gaps by adjusting the mass and stiffness of the external oscillator. Small series spring constant ratio results in low-frequency band gaps, in which the external oscillator acts as a resonator and replaces the original local resonator to hold the band gaps in low frequency range. Compared with the one-dimensional phononic crystal (PC) lattice, a new band gap emerges in lower frequency range in the hybrid structure because of the added local resonance, which will be a significant assistance in low-frequency vibration and noise reduction. Further, harmonic response analysis using finite element method (FEM) has been performed, and results show that elastic longitudinal waves are efficiently forbidden within the band gaps.

  13. Phononic band structures and stability analysis using radial basis function method with consideration of different interface models

    Science.gov (United States)

    Yan, Zhi-zhong; Wei, Chun-qiu; Zheng, Hui; Zhang, Chuanzeng

    2016-05-01

    In this paper, a meshless radial basis function (RBF) collocation method is developed to calculate the phononic band structures taking account of different interface models. The present method is validated by using the analytical results in the case of perfect interfaces. The stability is fully discussed based on the types of RBFs, the shape parameters and the node numbers. And the advantages of the proposed RBF method compared to the finite element method (FEM) are also illustrated. In addition, the influences of the spring-interface model and the three-phase model on the wave band gaps are investigated by comparing with the perfect interfaces. For different interface models, the effects of various interface conditions, length ratios and density ratios on the band gap width are analyzed. The comparison results of the two models show that the weakly bonded interface has a significant effect on the properties of phononic crystals. Besides, the band structures of the spring-interface model have certain similarities and differences with those of the three-phase model.

  14. Band structure engineering through orbital interaction for enhanced thermoelectric power factor

    International Nuclear Information System (INIS)

    Band structure engineering for specific electronic or optical properties is essential for the further development of many important technologies including thermoelectrics, optoelectronics, and microelectronics. In this work, we report orbital interaction as a powerful tool to finetune the band structure and the transport properties of charge carriers in bulk crystalline semiconductors. The proposed mechanism of orbital interaction on band structure is demonstrated for IV-VI thermoelectric semiconductors. For IV-VI materials, we find that the convergence of multiple carrier pockets not only displays a strong correlation with the s-p and spin-orbit coupling but also coincides with the enhancement of power factor. Our results suggest a useful path to engineer the band structure and an enticing solid-solution design principle to enhance thermoelectric performance

  15. Banded structure and its distribution in friction stir processing of 316L austenitic stainless steel

    International Nuclear Information System (INIS)

    Highlights: ► Friction stir processing (FSP) as a repair method. ► Sigma phase formed in the FSP zone. ► Low heat input contributes to restrain sigma phase precipitation. - Abstract: Banded structures, which vary with welding parameters, were observed in friction stir processing of 316L austenite stainless steel. Sigma phase precipitation was detected in banded structures by transmission electron microscopy. The amount of banded structure had direct ratio relations with heat input. The higher the heat input, the larger the area of banded structures. This is attributable to slower cooling rate at high heat input, which results in longer exposure to the temperature range for precipitation. The formation of sigma phase produced Cr depletion, which resulted in largely degraded corrosion resistance. The present study suggests that low heat input (i.e. low rotation speeds, low working loads and high welding speed) contributes to restrain sigma phase precipitation.

  16. The impurity optical absorption and structure of conduction band in 6H-SiC

    International Nuclear Information System (INIS)

    The investigation of absorption spectra in n-type nitrogen doped 6H-SiC crystals from the near infrared up to fundamental band region at polarization of electric field (E) of the light wave relatively the optical axis (C) for E parallel to C and E perpendicular to C has been carried out. It is for the first time that at E parallel to C a slight absorption band with maximum at 2.85 eV has been investigated. All absorption bands observed were caused by photoionization of donors (nitrogen) with electron transition in to above-lying minima of the conduction band situated at different critical points of the Brillouin zone. The analysis of data obtained and experimental data available on the photoionization of nitrogen, alongside with theoretical data on the structure of the conduction band make it possible to propose the structure and symmetry of additional extrema in Brillouin zone for 6H-SiC

  17. Simple inverted band structure model for cadmium arsenide (Cd3As2)

    International Nuclear Information System (INIS)

    The development of a simple Hamiltonian yielding the inverted band structure of Cd3As2 in the 4 mm (C4v12) low-temperature phase is proposed. The presented theory takes into account the spin orbit interaction and tetragonal distortion of lattice in the low symmetry. The authors obtain k-linear terms in the band structure and therefore a splitting in k-space of spin degenerate energy bands. The reported band model contains only one new crystal field parameter d = cr|Z> in addition to well known Kildal's set. The first evaluation of this shows that (0.028 < d < 0.072) eV using optical absorption edge data. The finite width of the anisotropic heavy and light hole bands is pointed out. (authors)

  18. Efficient VLSI Architecture For CSD Basedsub-Band Tree Structure Using 4-Tap Filter

    OpenAIRE

    Radhe Kant Mishra,; Dr. Subbaratnam Kumar

    2014-01-01

    A sub-band tree structure hardware design based on canonic signed digit (CSD) architecture is presented in this paper. We have proposed based on canonic signed digit (CSD) arithmetic for low complexity and efficient implementation of sub-band tree structure. The canonic signed digit (CSD) technique has been applied to reduce the number of full adders required by 2’s complement based deigns. This architecture is suitable for high speed on-line applications. With this architectu...

  19. Dual-Band Terahertz Left-Handed Metamaterial with Fishnet Structure

    International Nuclear Information System (INIS)

    We present the design of a dual-band left-handed metamaterial with fishnet structure in the terahertz regime. Its left-handed properties are described by the retrieved effective electromagnetic parameters. We introduce an equivalent circuit which offers a theoretical explanation for the left-handed behavior of the dual-band fishnet metamaterial, and investigate its losses receiving higher figure of merit. The design is beneficial to the development of frequency agile and broadband THz materials and devices. The dual-band fishnet metamaterial can be extended to infrared and optical frequency ranges by regulating the structural parameters. (fundamental areas of phenomenology (including applications))

  20. Design of UWB Monopole Antenna with Dual Notched Bands Using One Modified Electromagnetic-Bandgap Structure

    OpenAIRE

    Hao Liu; Ziqiang Xu

    2013-01-01

    A modified electromagnetic-bandgap (M-EBG) structure and its application to planar monopole ultra-wideband (UWB) antenna are presented. The proposed M-EBG which comprises two strip patch and an edge-located via can perform dual notched bands. By properly designing and placing strip patch near the feedline, the proposed M-EBG not only possesses a simple structure and compact size but also exhibits good band rejection. Moreover, it is easy to tune the dual notched bands by altering the dimensio...

  1. Realization of Band-Notch UWB Monopole Antenna Using AMC Structure

    Directory of Open Access Journals (Sweden)

    Pradeep Kumar

    2013-06-01

    Full Text Available This article presents the design, simulation and testing of an Ultra Wide Band (UWB planar monopole antenna with WLAN band-notch characteristic. The proposed antenna consists, the combination of planar monopole antenna with partial ground and a pair of AMC structures. The AMC structure used for the design is mushroom-like. Design equation of EBG parameters is also proposed for FR4 substrate using transmission line model. Using proposed equations, Mushroom-like EBG structure is integrated along the feed line of a monopole antenna for WLAN (5 GHz – 6 GHz band rejection. TheCurrent distribution and equivalent circuit model of antenna is used to explain band-notch characteristic of EBG resonator. The proposed antenna is fabricated on an FR4 substrate with a thickness of 1.6 mmand εr = 4.4. The measured VSWR characteristic is less than 2 for complete UWB band except for WLAN band i.e. 5 GHz – 6 GHz. The gain of the proposed structure is around 2 dBi – 6.7 dBi for complete UWBband except for WLAN band where it is reduced to -4 dBi. The measured radiation pattern of proposed antenna is omnidirectional along H plane and bidirectional in E plane. A nearly constant group delaywith variations < 2ns, except for the notched bandwidth makes proposed antenna suitable for UWB application.

  2. Band structure of hydrogenated silicene on Ag(111): Evidence for half-silicane

    Science.gov (United States)

    Wang, W.; Olovsson, W.; Uhrberg, R. I. G.

    2016-02-01

    In the case of graphene, hydrogenation removes the conductivity due to the bands forming the Dirac cone by opening up a band gap. This type of chemical functionalization is of the utmost importance for electronic applications. As predicted by theoretical studies, a similar change in the band structure is expected for silicene, the closest analog to graphene. We here report a study of the atomic and electronic structures of hydrogenated silicene with hydrogen on one side, the so-called half-silicane. The ("2 √{3 }×2 √{3 } ") phase of silicene on Ag(111) was used in this Rapid Communication since it can be formed homogeneously across the entire surface of the Ag substrate. Low-energy electron diffraction and scanning tunneling microscopy data clearly show that hydrogenation changes the structure of silicene on Ag(111) resulting in a (1 × 1) periodicity with respect to the silicene lattice. The hydrogenated silicene also exhibits a quasiregular (2 √{3 }×2 √{3 } )-like arrangement of vacancies. Angle-resolved photoelectron spectroscopy revealed two dispersive bands which can be unambiguously assigned to half-silicane. The common top of these bands is located at ˜0.9 eV below the Fermi level. We find that the experimental bands are closely reproduced by the theoretical band structure of free-standing silicene with H adsorbed on the upper hexagonal sublattice.

  3. On the structure of collective bands in 78Kr

    International Nuclear Information System (INIS)

    Using 16O, 19F, and 12C induced reactions high spin states in 78Kr were excited. The targets consisted of 65Cu, 69Ni, and 68Zn. On the base of gamma spectroscopic methods as γγ-coincidences, angular distributions and excitation functions a level scheme of 78Kr is proposed. Four bands could be identified, which decay mostly by stretched E2-transitions. From recoil distance Doppler shift as well as Doppler shift attenuation measurements lifetimes of about 20 states were measured. The β-decay of the 103 keV isomeric state and the ground state in 78Rb was observed and the half-lifes determined. Altogether a very good agreement of the level scheme and the E2- and E1-transition strength with predictions of the interacting boson model were found. Using a Monte Carlo code the γ-decay of the continuum of highly excited nuclei is described. Entry states, mean γ-energies, γ-spectra, mean multiplicities, multipolarities, and mean feeding times as well as e.g. their second moments were calculated for the reactions 58Ni(16O,2p)72Se and 68Zn(12C,2n)78Kr. The results are discussed and compared with experimental data. (HSI)

  4. Comparison of C-Band and X-Band Polarimetric SAR Data for River Ice Classification on the Peace River

    Science.gov (United States)

    Łoś, H.; Osińska-Skotak, K.; Pluto-Kossakowska, J.; Bernier, M.; Gauthier, Y.; Jasek, M.; Roth, A.

    2016-06-01

    In this study, synthetic aperture radar (SAR) data from TerraSAR-X were compared with RADARSAT-2 data to evaluate their effectiveness for river ice monitoring on the Peace River. For several years RADARSAT-2 data have been successfully used for river ice observation. However, it is important to take into account data from other satellites as they may provide solutions when it is not possible to obtain images from the preferred system (e.g., in the case of acquisition priority conflicts). In this study we compared three TerraSAR-X (X-band) and three RADARSAT-2 (C-band) datasets acquired in December 2013 on a section of the Peace River, Canada. For selected classes (open water, skim ice, juxtaposed skim ice, agglomerated skim ice, frazil run and consolidated ice) we compared backscattering values in HH and VV polarisation and performed Wishart supervised classification. Covariance matrices that were previously filtered using a refined Lee filter were used as input data for classification. For all data sets the overall accuracy was higher than 80%. Similar errors associated with classification output were observed for data from both satellite systems.

  5. Photonic band gap of superconductor-medium structure: Two-dimensional triangular lattice

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Wan-guo; Pan, Feng-ming, E-mail: fmpan@nuaa.edu.cn; Cai, Li-wei

    2014-05-15

    Highlights: • Plane wave expansion is generalized to superconductor-medium periodic structure. • A wider band gap appears than that in conventional photonic crystals. • Part of original energy levels are rearranged upon consideration of the superconductivity. • Band gap width decreases monotonically with penetration length, but not with the filling factor. • Band gaps can be partially shut down or opened by adjusting filling factor. - Abstract: Based on London theory a general form of wave equation is formulated for both dielectric medium and superconductor. Using the wave equation and applying plane wave expansion, we have numerically calculated the band structures and density of states of a photonic crystal, whose intersection is constructed by a two-dimensional triangular lattice of superconductor padding in dielectric medium. Results indicate a wider band gap in the superconductor-medium photonic crystal than that in conventional photonic crystals. And part of original energy levels are found to be rearranged upon consideration of the superconductivity. The dependence of band gap on penetration length and filling factor is also discussed. Band gap width decreases monotonically with the penetration length, but not with the filling factor. Band gaps can be partially shut down or opened by adjusting filling factor.

  6. Rotational band structures in N=89 153Gd

    International Nuclear Information System (INIS)

    The reactions 152Sm(α,3n) at 37 MeV and 124Sn(36S,α3n) at 165 MeV were used to produce high-spin states in the transitional rare-earth nucleus 153Gd. Significant extensions in angular momentum and excitation energy with respect to earlier work were achieved and several new rotational sequences were observed. The rotational behavior of 153Gd is described in terms of quasiparticle assignments and the observed alignment properties are analyzed within the framework of the cranked shell model. Detailed comparisons with other N=89 nuclei are presented. These have led to corrections to the 157Er level scheme

  7. Precise fabrication of X-band accelerating structure

    International Nuclear Information System (INIS)

    An accelerating structure with a/λ=0.16 is being fabricated to study a precise fabrication method. A frequency control of each cell better than 10-4 level is required to realize a detuned structure. The present machining level is nearly 1 MHz/11.4 GHz in relative frequency error, which just satisfies the above requirement. To keep this machining precision, the diffusion bonding technique is found preferable to join the cells. Various diffusion conditions were tried. The frequency change can be less than 1 MHz/11.4 GHz and it can be controlled well better than that. (author)

  8. Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

    Energy Technology Data Exchange (ETDEWEB)

    Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan, E-mail: alan.doolittle@ece.gatech.edu [Department of Electrical and Computer Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States)

    2015-01-21

    The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO{sub 2}), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO{sub 2} has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.

  9. Valence band structure of the Si(331)-(12 x 1) surface reconstruction

    Energy Technology Data Exchange (ETDEWEB)

    Battaglia, Corsin [Ecole Polytechnique Federale de Lausanne (EPFL), Institute of Microengineering (IMT), Photovoltaics and Thin Film Electronics Laboratory, Rue A-L Breguet 2, 2000 Neuchatel (Switzerland); Fabian Schwier, Eike; Monney, Claude; Didiot, Clement; Mariotti, Nicolas; Gunnar Garnier, Michael; Aebi, Philipp [Department of Physics and Fribourg Center for Nanomaterials, Universite de Fribourg, Chemin du Musee 3, 1700 Fribourg (Switzerland); Gaal-Nagy, Katalin; Onida, Giovanni, E-mail: corsin.battaglia@epfl.ch [Dipartimento di Fisica and European Theoretical Spectroscopy Facility (ETSF), Universita degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy)

    2011-04-06

    Using angle-resolved photoelectron spectroscopy we investigate the electronic valence band structure of the Si(331)-(12 x 1) surface reconstruction for which we recently proposed a structural model containing silicon pentamers as elementary structural building blocks. We find that this surface, reported to be metallic in a previous study, shows a clear band gap at the Fermi energy, indicating semiconducting behavior. An occupied surface state, presumably containing several spectral components, is found centered at - 0.6 eV exhibiting a flat energy dispersion. These results are confirmed by scanning tunneling spectroscopy and are consistent with recent first-principles calculations for our structural model.

  10. Valence band structure of the Si(331)-(12 x 1) surface reconstruction

    International Nuclear Information System (INIS)

    Using angle-resolved photoelectron spectroscopy we investigate the electronic valence band structure of the Si(331)-(12 x 1) surface reconstruction for which we recently proposed a structural model containing silicon pentamers as elementary structural building blocks. We find that this surface, reported to be metallic in a previous study, shows a clear band gap at the Fermi energy, indicating semiconducting behavior. An occupied surface state, presumably containing several spectral components, is found centered at - 0.6 eV exhibiting a flat energy dispersion. These results are confirmed by scanning tunneling spectroscopy and are consistent with recent first-principles calculations for our structural model.

  11. Reducing support loss in micromechanical ring resonators using phononic band-gap structures

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Feng-Chia; Huang, Tsun-Che; Wang, Chin-Hung; Chang, Pin [Industrial Technology Research Institute-South, Tainan 709, Taiwan (China); Hsu, Jin-Chen, E-mail: fengchiahsu@itri.org.t, E-mail: hsujc@yuntech.edu.t [Department of Mechanical Engineering, National Yunlin University of Science and Technology, Douliou, Yunlin 64002, Taiwan (China)

    2011-09-21

    In micromechanical resonators, energy loss via supports into the substrates may lead to a low quality factor. To eliminate the support loss, in this paper a phononic band-gap structure is employed. We demonstrate a design of phononic-crystal (PC) strips used to support extensional wine-glass mode ring resonators to increase the quality factor. The PC strips are introduced to stop elastic-wave propagation by the band-gap and deaf-band effects. Analyses of resonant characteristics of the ring resonators and the dispersion relations, eigenmodes, and transmission properties of the PC strips are presented. With the proposed resonator architecture, the finite-element simulations show that the leaky power is effectively reduced and the stored energy inside the resonators is enhanced simultaneously as the operating frequencies of the resonators are within the band gap or deaf bands. Realization of a high quality factor micromechanical ring resonator with minimized support loss is expected.

  12. Electronic Band Structures of TiO2 with Heavy Nitrogen Doping

    Institute of Scientific and Technical Information of China (English)

    XUE Jinbo; LI Qi; LIANG Wei; SHANG Jianku

    2008-01-01

    The first-principles density-functional calculation was conducted to investigate the electronic band structures of titanium dioxide with heavy nitrogen doping (TiO2-xNx).The calculation results indicate that when x≤0.25,isolated N 2p states appear above the valence-band maximum of TiO2 without a band-gap narrowing between O 2p and Ti 3d states.When x≥0.50,an obvious band gap narrowing between O 2p and Ti 3d states was observed along with the existence of isolated N 2p states above the valence-band of TiO2,indicating that the mechanism proposed by Asahi et al operates under heavy nitrogen doping condition.

  13. Superlattice band structure: New and simple energy quantification condition

    International Nuclear Information System (INIS)

    Assuming an approximated effective mass and using Bastard's boundary conditions, a simple method is used to calculate the subband structure for periodic semiconducting heterostructures. Our method consists to derive and solve the energy quantification condition (EQC), this is a simple real equation, composed of trigonometric and hyperbolic functions, and does not need any programming effort or sophistic machine to solve it. For less than ten wells heterostructures, we have derived and simplified the energy quantification conditions. The subband is build point by point; each point presents an energy level. Our simple energy quantification condition is used to calculate the subband structure of the GaAs/Ga0.5Al0.5As heterostructures, and build its subband point by point for 4 and 20 wells. Our finding shows a good agreement with previously published results

  14. Superlattice band structure: New and simple energy quantification condition

    Science.gov (United States)

    Maiz, F.

    2014-10-01

    Assuming an approximated effective mass and using Bastard's boundary conditions, a simple method is used to calculate the subband structure for periodic semiconducting heterostructures. Our method consists to derive and solve the energy quantification condition (EQC), this is a simple real equation, composed of trigonometric and hyperbolic functions, and does not need any programming effort or sophistic machine to solve it. For less than ten wells heterostructures, we have derived and simplified the energy quantification conditions. The subband is build point by point; each point presents an energy level. Our simple energy quantification condition is used to calculate the subband structure of the GaAs/Ga0.5Al0.5As heterostructures, and build its subband point by point for 4 and 20 wells. Our finding shows a good agreement with previously published results.

  15. Superlattice band structure: New and simple energy quantification condition

    Energy Technology Data Exchange (ETDEWEB)

    Maiz, F., E-mail: fethimaiz@gmail.com [University of Cartage, Nabeul Engineering Preparatory Institute, Merazka, 8000 Nabeul (Tunisia); King Khalid University, Faculty of Science, Physics Department, P.O. Box 9004, Abha 61413 (Saudi Arabia)

    2014-10-01

    Assuming an approximated effective mass and using Bastard's boundary conditions, a simple method is used to calculate the subband structure for periodic semiconducting heterostructures. Our method consists to derive and solve the energy quantification condition (EQC), this is a simple real equation, composed of trigonometric and hyperbolic functions, and does not need any programming effort or sophistic machine to solve it. For less than ten wells heterostructures, we have derived and simplified the energy quantification conditions. The subband is build point by point; each point presents an energy level. Our simple energy quantification condition is used to calculate the subband structure of the GaAs/Ga{sub 0.5}Al{sub 0.5}As heterostructures, and build its subband point by point for 4 and 20 wells. Our finding shows a good agreement with previously published results.

  16. New enumeration algorithm for protein structure comparison and classification

    OpenAIRE

    2013-01-01

    Background Protein structure comparison and classification is an effective method for exploring protein structure-function relations. This problem is computationally challenging. Many different computational approaches for protein structure comparison apply the secondary structure elements (SSEs) representation of protein structures. Results We study the complexity of the protein structure comparison problem based on a mixed-graph model with respect to different computational frameworks. We d...

  17. Determining rotational temperatures from the OH(8-3 band, and a comparison with OH(6-2 rotational temperatures at Davis, Antarctica

    Directory of Open Access Journals (Sweden)

    F. Phillips

    2004-04-01

    Full Text Available Rotational temperatures derived from the OH(8–3 band may vary by ~18K depending on the choice of transition probabilities. This is of concern when absolute temperatures or trends determined in combination with measurements of other hydroxyl bands are important. In this paper, measurements of the OH(8–3 temperature-insensitive Q/P and R/P line intensity ratios are used to select the most appropriate transition probabilities for use with this band. Aurora, airglow and solar and telluric absorption in the OH(8–3 band are also investigated. Water vapour absorption of P1(4, airglow or auroral contamination of P1(2 and solar absorption in the vicinity of P1(5 are concerns to be considered when deriving rotational temperatures from this band.

    A comparison is made of temperatures derived from OH(6–2 and OH(8–3 spectra collected alternately at Davis (69° S, 78° E in 1990. An average difference of ~4K is found, with OH(8–3 temperatures being warmer, but a difference of this magnitude is within the two sigma uncertainty limit of the measurements.

    Key words. Atmospheric composition and structure airglow and aurora; pressure, density, and temperature

  18. Structure of positive parity bands in odd-odd 108Ag

    International Nuclear Information System (INIS)

    Nuclei in the transitional A ∼ 110 region near the Z = 50 shell closure are known to exhibit a variety of phenomena like magnetic rotation, anti-magnetic rotation, chiral rotation and collective behavior as well. The present work provides significant new information on the spectroscopic levels of the positive parity bands in 108Ag nucleus. The comparison of the experimental data of high spin states of a ΔI = 1 band with Tilted Axis Cranking (TAC) model calculations suggests its origin is due to magnetic rotation

  19. Structure sensitive bands in the vibrational spectra of metal complexes of tetraphenylporphine

    Science.gov (United States)

    Oshio, Hiroki; Ama, Tomoharu; Watanabe, Takeshi; Kincaid, James; Nakamoto, Kazuo

    The i.r. and RR spectra of twenty Fe(TPP)LL' type complexes have been measured to locate structure-sensitive bands. In i.r. spectra, band I (1350-1330 cm -1) and band III (469-432 cm -1) are spin-state sensitive whereas band II (806-790 cm -1) is oxidation-state sensitive and slightly spin-state sensitive in the Fe(II) state. To examine the nature of these bands, the i.r. spectra of Co(TPP), (Fe(TPP)) 2O and their d8 and d20 analogs have been measured, and empirical assignments proposed. In RR spectra, band C (1545-1498 cm -1, ap) and band D (1565-1540 cm -1, p) are spin-state sensitive whereas band E (391-376 cm -1, p) is sensitive to both spin and oxidation states. These results on RR spectra are in good agreement with those of previous workers.

  20. Electronic structure and band alignment at an epitaxial spinel/perovskite heterojunction.

    Science.gov (United States)

    Qiao, Liang; Li, Wei; Xiao, Haiyan; Meyer, Harry M; Liang, Xuelei; Nguyen, N V; Weber, William J; Biegalski, Michael D

    2014-08-27

    The electronic properties of solid-solid interfaces play critical roles in a variety of technological applications. Recent advances of film epitaxy and characterization techniques have demonstrated a wealth of exotic phenomena at interfaces of oxide materials, which are critically dependent on the alignment of their energy bands across the interface. Here we report a combined photoemission and electrical investigation of the electronic structures across a prototypical spinel/perovskite heterojunction. Energy-level band alignment at an epitaxial Co3O4/SrTiO3(001) heterointerface indicates a chemically abrupt, type I heterojunction without detectable band bending at both the film and substrate. The unexpected band alignment for this typical p-type semiconductor on SrTiO3 is attributed to its intrinsic d-d interband excitation, which significantly narrows the fundamental band gap between the top of the valence band and the bottom of the conduction band. The formation of the type I heterojunction with a flat-band state results in a simultaneous confinement of both electrons and holes inside the Co3O4 layer, thus rendering the epitaxial Co3O4/SrTiO3(001) heterostructure to be a very promising material for high-efficiency luminescence and optoelectronic device applications. PMID:25075939

  1. Strain effects on band structure of wurtzite ZnO: a GGA + U study

    International Nuclear Information System (INIS)

    Band structures in wurtzite bulk ZnO/Zn1−xMgxO are calculated using first-principles based on the framework of generalized gradient approximation to density functional theory with the introduction of the on-site Coulomb interaction. Strain effects on band gap, splitting energies of valence bands, electron and hole effective masses in strained bulk ZnO are discussed. According to the results, the band gap increases gradually with increasing stress in strained ZnO as an Mg content of Zn1−xMgxO substrate less than 0.3, which is consistent with the experimental results. It is further demonstrated that electron mass of conduction band (CB) under stress increases slightly. There are almost no changes in effective masses of light hole band (LHB) and heavy hole band (HHB) along [00k] and [k00] directions under stress, and stress leads to an obvious decrease in effective masses of crystal splitting band (CSB) along the same directions. (semiconductor materials)

  2. Relationships between magnetic foot points and G-band bright structures

    CERN Document Server

    Ishikawa, R; Kitakoshi, Y; Katsukawa, Y; Bonet, J A; Domínguez, S Vargas; van der Voort, L H M Rouppe; Sakamoto, Y; Ebisuzaki, T

    2008-01-01

    Magnetic elements are thought to be described by flux tube models, and are well reproduced by MHD simulations. However, these simulations are only partially constrained by observations. We observationally investigate the relationship between G-band bright points and magnetic structures to clarify conditions, which make magnetic structures bright in G-band. The G-band filtergrams together with magnetograms and dopplergrams were taken for a plage region covered by abnormal granules as well as ubiquitous G-band bright points, using the Swedish 1-m Solar Telescope (SST) under very good seeing conditions. High magnetic flux density regions are not necessarily associated with G-band bright points. We refer to the observed extended areas with high magnetic flux density as magnetic islands to separate them from magnetic elements. We discover that G-band bright points tend to be located near the boundary of such magnetic islands. The concentration of G-band bright points decreases with inward distance from the boundar...

  3. Tunable band structures of polycrystalline graphene by external and mismatch strains

    Institute of Scientific and Technical Information of China (English)

    Jiang-Tao Wu; Xing-Hua Shi; Yu-Jie Wei

    2012-01-01

    Lacking a band gap largely limits the application of graphene in electronic devices.Previous study shows that grain boundaries (GBs) in polycrystalline graphene can dramatically alter the electrical properties of graphene.Here,we investigate the band structure of polycrystalline graphene tuned by externally imposed strains and intrinsic mismatch strains at the GB by density functional theory (DFT) calculations.We found that graphene with symmetrical GBs typically has zero band gap even with large uniaxial and biaxial strain.However,some particular asymmetrical GBs can open a band gap in graphene and their band structures can be substantially tuned by external strains.A maximum band gap about 0.19 eV was observed in matched-armchair GB (5,5) | (3,7) with a misorientation of θ =13° when the applied uniaxial strain increases to 9%.Although mismatch strain is inevitable in asymmetrical GBs,it has a small influence on the band gap of polycrystalline graphene.

  4. Design of UWB monopole antenna with dual notched bands using one modified electromagnetic-bandgap structure.

    Science.gov (United States)

    Liu, Hao; Xu, Ziqiang

    2013-01-01

    A modified electromagnetic-bandgap (M-EBG) structure and its application to planar monopole ultra-wideband (UWB) antenna are presented. The proposed M-EBG which comprises two strip patch and an edge-located via can perform dual notched bands. By properly designing and placing strip patch near the feedline, the proposed M-EBG not only possesses a simple structure and compact size but also exhibits good band rejection. Moreover, it is easy to tune the dual notched bands by altering the dimensions of the M-EBG. A demonstration antenna with dual band-notched characteristics is designed and fabricated to validate the proposed method. The results show that the proposed antenna can satisfy the requirements of VSWR WiMAX) and the wireless local area network (WLAN) at 3.5 GHz and 5.5 GHz, respectively. PMID:24170984

  5. Influence of indium clustering on the band structure of semiconducting ternary and quaternarynitride alloys

    DEFF Research Database (Denmark)

    Gorczyca,, I.; Łepkowski, S. P.; Suski, T.;

    2009-01-01

    atomic arrangements are examined. Particular attention is paid to the magnitude of and trends in bowing of the band gaps. Indium composition fluctuation (clustering) is simulated by different distributions of In atoms and it is shown that it strongly influences the band gaps. The gaps are considerably......The electronic band structures of InxGa1-xN, InxAl1-xN, and InxGayAl1-x-yN alloys are calculated by ab initio methods using a supercell geometry, and the effects of varying the composition and atomic arrangements methods using a supercell geometry, and the effects of varying the composition and...

  6. Band structure properties of (BGa)P semiconductors for lattice matched integration on (001) silicon

    Energy Technology Data Exchange (ETDEWEB)

    Hossain, Nadir; Sweeney, Stephen [Advanced Technology Institute and Department of Physics, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Hosea, Jeff [Advanced Technology Institute and Department of Physics, University of Surrey, Guildford, Surrey GU2 7XH, UK and Ibnu Sina Institute for Fundamental Science Studies, Universiti Teknologi Malaysia, Johor Bahru 81310 (Malaysia); Liebich, Sven; Zimprich, Martin; Volz, Kerstin; Stolz, Wolfgang [Material Sciences Center and Faculty of Physics, Philipps-University, 35032 Marburg (Germany); Kunert, Bernerdette [NAsP III/V GmbH, Am Knechtacker 19, 35041 Marburg (Germany)

    2013-12-04

    We report the band structure properties of (BGa)P layers grown on silicon substrate using metal-organic vapour-phase epitaxy. Using surface photo-voltage spectroscopy we find that both the direct and indirect band gaps of (BGa)P alloys (strained and unstrained) decrease with Boron content. Our experimental results suggest that the band gap of (BGa)P layers up to 6% Boron is large and suitable to be used as cladding and contact layers in GaP-based quantum well heterostructures on silicon substrates.

  7. Study of periodic band gap structure of the magnetized plasma photonic crystals

    Institute of Scientific and Technical Information of China (English)

    ZHANG Hai-feng; MA Li; LIU Shao-bin

    2009-01-01

    The characteristics of the periodic band gaps of the one dimension magnetized plasma photonic crystals are studied with the piecewise linear current density recursive convolution (PLCDRC) finite-differential time-domain (FDTD) method. In fre-quency-domain, the transmission coefficients of electromagnetic Gaussian pulses are computed, and the effects of the periodic structure constant, plasma layer thickness and parameters of plasma on the properties of periodic band gaps of magnetized photonic crystals are analyzed. The results show that the periodic band gaps depend strongly on the plasma parameters.

  8. Photonic band structures of two-dimensional photonic crystals with deformed lattices

    Institute of Scientific and Technical Information of China (English)

    Cai Xiang-Hua; Zheng Wan-Hua; Ma Xiao-Tao; Ren Gang; Xia Jian-Bai

    2005-01-01

    Using the plane-wave expansion method, we have calculated and analysed the changes of photonic band structures arising from two kinds of deformed lattices, including the stretching and shrinking of lattices. The square lattice with square air holes and the triangular lattice with circular air holes are both studied. Calculated results show that the change of lattice size in some special ranges can enlarge the band gap, which depends strongly on the filling factor of air holes in photonic crystals; and besides, the asymmetric band edges will appear with the broken symmetry of lattices.

  9. Engineering the electronic structure and band gap of boron nitride nanoribbon via external electric field

    Science.gov (United States)

    Chegel, Raad

    2016-06-01

    By using the third nearest neighbor modified tight binding (3NN-TB) method, the electronic structure and band gap of BNNRs under transverse electric fields are explored. The band gap of the BNNRs has a decreasing with increasing the intensity of the applied electric field, independent on the ribbon edge types. Furthermore, an analytic model for the dependence of the band gap in armchair and zigzag BNNRs on the electric field is proposed. The reduction of E g is similar for some N a armchair and N z zigzag BNNRs independent of their edges.

  10. Tight-binding modelling of the electronic band structure of layered superconducting perovskites

    OpenAIRE

    Mishonov, T.; Penev, E.

    2000-01-01

    A detailed tight-binding analysis of the electron band structure of the CuO_2 plane of layered cuprates is performed within a sigma-band Hamiltonian including four orbitals - Cu3d_x^2-y^2, Cu4s, O2p_x, and O2p_y. Both the experimental and theoretical hints in favor of Fermi level located in a Cu or O band, respectively, are considered. For these two alternatives analytical expressions are obtained for the LCAO electron wave functions suitable for the treatment of electron superexchange. Simpl...

  11. Promoting Photochemical Water Oxidation with Metallic Band Structures.

    Science.gov (United States)

    Liu, Hongfei; Moré, René; Grundmann, Henrik; Cui, Chunhua; Erni, Rolf; Patzke, Greta R

    2016-02-10

    The development of economic water oxidation catalysts is a key step toward large-scale water splitting. However, their current exploration remains empirical to a large extent. Elucidating the correlations between electronic properties and catalytic activity is crucial for deriving general and straightforward catalyst design principles. Herein, strongly correlated electronic systems with abundant and easily tunable electronic properties, namely La(1-x)Sr(x)BO3 perovskites and La(2-x)Sr(x)BO4 layered perovskites (B = Fe, Co, Ni, or Mn), were employed as model systems to identify favorable electronic structures for water oxidation. We established a direct correlation between the enhancement of catalytic activity and the insulator to metal transition through tuning the electronic properties of the target perovskite families via the La(3+)/Sr(2+) ratio. Their improved photochemical water oxidation performance was clearly linked to the increasingly metallic character. These electronic structure-activity relations provide a promising guideline for constructing efficient water oxidation catalysts. PMID:26771537

  12. Substrate Integrated Waveguides Structures using Frequency Selective Surfaces operating in Stop-Band (SBFSS-SIW)

    OpenAIRE

    Esparza López, Nuria; Alcón García, Pablo; Herrán Ontañón, Luis Fernando; Las Heras Andrés, Fernando Luis

    2016-01-01

    A novel Substrate Integrated Waveguide (SIW) is proposed using Frequency Selective Surfaces (FSS) operating in Stop- Band (SBFSS-SIW) as metal conductor plates. These structures preserve the propagation properties and the dimensions of the conventional SIW, and have periodic isolated pads that could allow the direct integration of biased active and passive devices on the SIW surface. A set of SBFSS-SIW for X-band have been designed, simulated and experimentally measured to demonstrat...

  13. Band structure analysis of (1 × 2)-H/Pd(110)-pr

    Science.gov (United States)

    Shuttleworth, I. G.

    2013-09-01

    A novel method of band structure analysis based on the atomic orbital (AO) coefficients in LCAO-DFT has been applied to the (1 × 2)-H/Pd(110)-pr system. The analysis has revealed symmetry-dependent Pd 4d band splitting due to H ligand effects; ensemble effects due to the (1 × 2) Pd reconstruction are shown to be relatively minor.

  14. Estimating the vertical structure of intense Mediterranean precipitation using two X-band weather radar systems

    OpenAIRE

    Berne, A.D.; Delrieu, G.; Andrieu, H.

    2005-01-01

    The present study aims at a preliminary approach of multiradar compositing applied to the estimation of the vertical structure of precipitation¿an important issue for radar rainfall measurement and prediction. During the HYDROMET Integrated Radar Experiment (HIRE¿98), the vertical profile of reflectivity was measured, on the one hand, with an X-band vertically pointing radar system, and, on the other hand, with an X-band RHI scanning protocol radar. The analysis of the raw data highlights the...

  15. Precision photonic band structure calculation of Abrikosov periodic lattice in type-II superconductors

    International Nuclear Information System (INIS)

    We have performed a numerical solution for band structure of an Abrikosov vortex lattice in type-II superconductors forming a periodic array in two dimensions for applications of incorporating the photonic crystals concept into superconducting materials with possibilities for optical electronics. The implemented numerical method is based on the extensive numerical solution of the Ginzburg-Landau equation for calculating the parameters of the two-fluid model and obtaining the band structure from the permittivity, which depends on the above parameters and the frequency. This is while the characteristics of such crystals highly vary with an externally applied static normal magnetic field, leading to nonlinear behavior of the band structure, which also has nonlinear dependence on the temperature. The similar analysis for every arbitrary lattice structure is also possible to be developed by this approach as presented in this work. We also present some examples and discuss the results

  16. Modeling the band structure of the higher manganese silicides starting from Mn$_4$Si$_7$

    OpenAIRE

    V., Vijay Shankar; Tseng, Yu-Chih; Kee, Hae-Young

    2016-01-01

    The higher manganese silicides (HMS), with the chemical formula MnSi$_x$($x \\approx 1.73 - 1.75$), have been attracted a lot of attention due to their potential application as thermoelectric materials. While the electronic band structures of HMS have been previously studied using first principle calculations, the relation between crystal structures of Mn and Si atoms and their band structures is not well understood. Here we study Mn$_4$Si$_7$ using first principle calculations and show that a...

  17. Research on the large band gaps in multilayer radial phononic crystal structure

    Science.gov (United States)

    Gao, Nansha; Wu, Jiu Hui; Guan, Dong

    2016-04-01

    In this paper, we study the band gaps (BGs) of new proposed radial phononic crystal (RPC) structure composed of multilayer sections. The band structure, transmission spectra and eigenmode displacement fields of the multilayer RPC are calculated by using finite element method (FEM). Due to the vibration coupling effects between thin circular plate and intermediate mass, the RPC structure can exhibit large BGs, which can be effectively shifted by changing the different geometry values. This study shows that multilayer RPC can unfold larger and lower BGs than traditional phononic crystals (PCs) and RPC can be composed of single material.

  18. Polarization-dependent diffraction in all-dielectric, twisted-band structures

    Energy Technology Data Exchange (ETDEWEB)

    Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr, E-mail: pwasylcz@fuw.edu.pl [Photonic Nanostructure Facility, Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warszawa (Poland)

    2015-11-23

    We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

  19. Polarization-dependent diffraction in all-dielectric, twisted-band structures

    Science.gov (United States)

    Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr

    2015-11-01

    We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

  20. Analysis of photonic band-gap (PBG) structures using the FDTD method

    DEFF Research Database (Denmark)

    Tong, M.S.; Cheng, M.; Lu, Y.L.;

    2004-01-01

    In this paper, a number of photonic band-gap (PBG) structures, which are formed by periodic circuit elements printed oil transmission-line circuits, are studied by using a well-known numerical method, the finite-difference time-domain (FDTD) method. The results validate the band-stop filter...... behavior of these structures, and the computed results generally match well with ones published in the literature. It is also found that the FDTD method is a robust, versatile, and powerful numerical technique to perform such numerical studies. The proposed PBG filter structures may be applied in microwave...

  1. Photonic stop bands in quasi-random nanoporous anodic alumina structures

    CERN Document Server

    Maksymov, Ivan; Pallares, Josep; Marsal, Lluis F

    2011-01-01

    The existence of photonic stop bands in the self-assembled arrangement of pores in porous anodic alumina structures is investigated by means of rigorous 2D finite- difference time-domain calculations. Self-assembled porous anodic alumina shows a random distribution of domains, each of them with a very definite triangular pattern, constituting a quasi-random structure. The observed stop bands are similar to those of photonic quasicrystals or random structures. As the pores of nanoporous anodic alumina can be infiltrated with noble metals, nonlinear or active media, it makes this material very attractive and cost-effective for applications including inhibition of spontaneous emission, random lasing, LEDs and biosensors.

  2. A comparison between two permanent broad band ocean bottom seismometers in the western Mediterranean Sea

    Science.gov (United States)

    Frontera, T.; Deschamps, A.; Ugalde, A.; Jara, J. A.; Hello, Y.; Goula, X.; Olivera, C.

    2009-04-01

    deployment of an opto-electrical cable to provide power and data transmission from the coast to a recording point at 2550 m in depth and 15km south to Porquerolles Island in the frame of the Antares neutrino telescope project. The program was founded in the 2002-2006 CPER (State-Region Research plan) by PACA region and CNRS/INSU and in the Antares collaboration which is responsible of all the marine operations on the site. The OBS and the DPG were set up by the ROV "Victor" from Ifremer (French Research Institute for Exploitation of the Sea) and partially buried; levelling and orientation were performed directly on the site. The instrument was running from April 2005 to April 2007. In April 2006 the sensor was completely buried. Data transmitted in quasi real time to Geoazur were integrated to the regional data center. In April 2007 the sensor was retrieved and reinstalled with data transmission protocol modification in October 2008. A water leak detected in December forced to cut the alimentation in January 2009. Because both sensors have not operated over the same time period, two different periods have been analysed: 2006 for the Antares OBS and 2008 for the Casablanca's one. In this way we are able to make a comparison of the noise behaviour by observing also the seasonal evolution. As observed on most of the ocean floor observatories, the noise is quite large on all components for both OBS. In general, the Antares OBS shows a better behaviour than the Casablanca OBS, due to the more favourable site conditions. Both OBS have been reinstalled to ameliorate some site condition deficiencies, which has basically affected the low frequency band, between 0.008 and 0.07 Hz. After the reinstallations, the noise conditions have improved at least 10 dB. A comparison of the power spectral density (PSD) curves for both stations concerning the periods after the reinstallations of the OBS show that, at low frequencies, the vertical component PSD curve for the Casablanca OBS is about

  3. Band structure of the quasi two-dimensional purple molybdenum bronze

    Science.gov (United States)

    Guyot, H.; Balaska, H.; Perrier, P.; Marcus, J.

    2006-09-01

    The molybdenum purple bronze KMo 6O 17 is quasi two-dimensional (2D) metallic oxide that shows a Peierls transition towards a metallic charge density wave state. Since this specific transition is directly related to the electron properties of the normal state, we have investigated the electronic structure of this bronze at room temperature. The shape of the Mo K1s absorption edge reveals the presence of distorted MoO 6 octahedra in the crystallographic structure. Photoemission experiments evidence a large conduction band, with a bandwidth of 800 meV and confirm the metallic character of this bronze. A wide depleted zone separates the conduction band from the valence band that exhibits a fourfold structure, directly connected to the octahedral symmetry of the Mo sites. The band structure is determined by ARUPS in two main directions of the (0 0 1) Brillouin zone. It exhibits some unpredicted features but corroborates the earlier theoretical band structure and Fermi surface. It confirms the hidden one-dimensionality of KMo 6O 17 that has been proposed to explain the origin of the Peierls transition in this 2D compound.

  4. Bulk and surface band structure of the new family of semiconductors BiTeX (X=I, Br, Cl)

    Energy Technology Data Exchange (ETDEWEB)

    Moreschini, L., E-mail: lmoreschini@lbl.gov [Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Autès, G. [Institute of Theoretical Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Crepaldi, A. [Institute of Condensed Matter Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Moser, S. [Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Institute of Condensed Matter Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Johannsen, J.C. [Institute of Condensed Matter Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Kim, K.S. [Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Center for Artificial Low Dimensional Electronic Systems, Institute for Basic Science, Pohang 790-784 (Korea, Republic of); Berger, H.; Bugnon, Ph.; Magrez, A. [Institute of Condensed Matter Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Denlinger, J.; Rotenberg, E.; Bostwick, A. [Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yazyev, O.V. [Institute of Theoretical Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); and others

    2015-05-15

    Highlights: • We provide an ARPES comparison between the three tellurohalides BiTeX (X = I, Br, Cl). • They present a similar band structure with namely spin-split bulk and surface states. • They offer, except for BiTeCl, the possibility of ambipolar conduction. • They can be easily doped. • From the data appeared so far, BiTeBr may be the most appealing for applications. - Abstract: We present an overview of the new family of semiconductors BiTeX (X = I, Br, Cl) from the perspective of angle resolved photoemission spectroscopy. The strong band bending occurring at the surface potentially endows them with a large flexibility, as they are capable of hosting both hole and electron conduction, and can be modified by inclusion or adsorption of foreign atoms. In addition, their trigonal crystal structure lacks a center of symmetry and allows for both bulk and surface spin-split bands at the Fermi level. We elucidate analogies and differences among the three materials, also in the light of recent theoretical and experimental work.

  5. Bulk and surface band structure of the new family of semiconductors BiTeX (X=I, Br, Cl)

    International Nuclear Information System (INIS)

    Highlights: • We provide an ARPES comparison between the three tellurohalides BiTeX (X = I, Br, Cl). • They present a similar band structure with namely spin-split bulk and surface states. • They offer, except for BiTeCl, the possibility of ambipolar conduction. • They can be easily doped. • From the data appeared so far, BiTeBr may be the most appealing for applications. - Abstract: We present an overview of the new family of semiconductors BiTeX (X = I, Br, Cl) from the perspective of angle resolved photoemission spectroscopy. The strong band bending occurring at the surface potentially endows them with a large flexibility, as they are capable of hosting both hole and electron conduction, and can be modified by inclusion or adsorption of foreign atoms. In addition, their trigonal crystal structure lacks a center of symmetry and allows for both bulk and surface spin-split bands at the Fermi level. We elucidate analogies and differences among the three materials, also in the light of recent theoretical and experimental work

  6. Structural alphabets for protein structure classification: a comparison study.

    Science.gov (United States)

    Le, Quan; Pollastri, Gianluca; Koehl, Patrice

    2009-03-27

    Finding structural similarities between proteins often helps reveal shared functionality, which otherwise might not be detected by native sequence information alone. Such similarity is usually detected and quantified by protein structure alignment. Determining the optimal alignment between two protein structures, however, remains a hard problem. An alternative approach is to approximate each three-dimensional protein structure using a sequence of motifs derived from a structural alphabet. Using this approach, structure comparison is performed by comparing the corresponding motif sequences or structural sequences. In this article, we measure the performance of such alphabets in the context of the protein structure classification problem. We consider both local and global structural sequences. Each letter of a local structural sequence corresponds to the best matching fragment to the corresponding local segment of the protein structure. The global structural sequence is designed to generate the best possible complete chain that matches the full protein structure. We use an alphabet of 20 letters, corresponding to a library of 20 motifs or protein fragments having four residues. We show that the global structural sequences approximate well the native structures of proteins, with an average coordinate root mean square of 0.69 A over 2225 test proteins. The approximation is best for all alpha-proteins, while relatively poorer for all beta-proteins. We then test the performance of four different sequence representations of proteins (their native sequence, the sequence of their secondary-structure elements, and the local and global structural sequences based on our fragment library) with different classifiers in their ability to classify proteins that belong to five distinct folds of CATH. Without surprise, the primary sequence alone performs poorly as a structure classifier. We show that addition of either secondary-structure information or local information from the

  7. Effects of weak nonlinearity on dispersion relations and frequency band-gaps of periodic structures

    DEFF Research Database (Denmark)

    Sorokin, Vladislav; Thomsen, Jon Juel

    2015-01-01

    The analysis of the behaviour of linear periodic structures can be traced back over 300 years, to Sir Isaac Newton, and still attracts much attention. An essential feature of periodic struc-tures is the presence of frequency band-gaps, i.e. frequency ranges in which waves cannot propagate....... Determination of band-gaps and the corresponding attenuation levels is an im-portant practical problem. Most existing analytical methods in the field are based on Floquet theory; e.g. this holds for the classical Hill’s method of infinite determinants, and the method of space-harmonics. However, application of...... accounted for. The present work deals with analytically predicting dynamic responses for nonlinear continuous elastic periodic structures. Specifically, the effects of weak nonlinearity on the dispersion re-lation and frequency band-gaps of a periodic Bernoulli-Euler beam performing bending os...

  8. Microscopic structure of deformed and superdeformed collective bands in rotating nuclei

    International Nuclear Information System (INIS)

    We investigate in self-consistent cranked Nilsson plus quasiparticle random-phase approximation the structure of 190,192,194Hg in their evolution from normal to superdeformation and from low to high rotational frequencies. The analysis of the energy levels suggests a splitting of few normally deformed bands into two or more branches. The investigation of the dynamical moments of inertia supports the octupole character of the low-lying negative parity superdeformed bands, in agreement with previous theoretical predictions and experimental findings. As a more direct confirm of their octupole nature, we obtain strong E1 transitions linking those bands to the yrast superdeformed band, in agreement with experiments. A similar result is shown to hold also for 152Dy. Like in 152Dy, the collectivity of the low-lying scissors mode gets enhanced with the onset of superdeformation

  9. Energy band structure of Cr by the Slater-Koster interpolation scheme

    International Nuclear Information System (INIS)

    The matrix elements of the Hamiltonian between nine localized wave-functions in tight-binding formalism are derived. The symmetry adapted wave-functions and the secular equations are formed by the group theory method for high symmetry points in the Brillouin zone. A set of interaction integrals is chosen on physical ground and fitted via the Slater-Koster interpolation scheme to the abinito band structure of chromium calculated by the Green function method. Then the energy band structure of chromium is interpolated and extrapolated in the Brillouin zone. (author)

  10. Numerical study of the effect of permeability on square and triangular microwave band gap structures

    International Nuclear Information System (INIS)

    We report the theoretical work on the photonic band gap structures suitable for microwave frequency region formed by magnetic materials (ε=9.87 and μ=2.17) using plane wave expansion method. The structures under analysis are two-dimensional square and triangular lattices. The calculated band gap between 10 and 20GHz region is anlaysed for the effect due to lattice spacing and the property of the material. The results are also compared with that of pure dielectric case. Obtained results indicate that both impedance and effective refractive index are responsible for the gap width and mid-gap frequency

  11. Improvement of protein structure comparison using a structural alphabet.

    Science.gov (United States)

    Joseph, Agnel Praveen; Srinivasan, N; de Brevern, Alexandre G

    2011-09-01

    The three dimensional structure of a protein provides major insights into its function. Protein structure comparison has implications in functional and evolutionary studies. A structural alphabet (SA) is a library of local protein structure prototypes that can abstract every part of protein main chain conformation. Protein Blocks (PBs) is a widely used SA, composed of 16 prototypes, each representing a pentapeptide backbone conformation defined in terms of dihedral angles. Through this description, the 3D structural information can be translated into a 1D sequence of PBs. In a previous study, we have used this approach to compare protein structures encoded in terms of PBs. A classical sequence alignment procedure based on dynamic programming was used, with a dedicated PB Substitution Matrix (SM). PB-based pairwise structural alignment method gave an excellent performance, when compared to other established methods for mining. In this study, we have (i) refined the SMs and (ii) improved the Protein Block Alignment methodology (named as iPBA). The SM was normalized in regards to sequence and structural similarity. Alignment of protein structures often involves similar structural regions separated by dissimilar stretches. A dynamic programming algorithm that weighs these local similar stretches has been designed. Amino acid substitutions scores were also coupled linearly with the PB substitutions. iPBA improves (i) the mining efficiency rate by 6.8% and (ii) more than 82% of the alignments have a better quality. A higher efficiency in aligning multi-domain proteins could be also demonstrated. The quality of alignment is better than DALI and MUSTANG in 81.3% of the cases. Thus our study has resulted in an impressive improvement in the quality of protein structural alignment. PMID:21569819

  12. The calculation of the band structure in 3D phononic crystal with hexagonal lattice

    Energy Technology Data Exchange (ETDEWEB)

    Aryadoust, Mahrokh; Salehi, H. [University of Shahid Chamran, Ahvaz (Iran, Islamic Republic of). Dept. of Physics

    2015-07-01

    In this article, the propagation of acoustic waves in the phononic crystals (PCs) of three dimensions with the hexagonal (HEX) lattice is studied theoretically. The PCs are constituted of nickel (Ni) spheres embedded in epoxy. The calculations of the band structure and the density of states are performed using the plane wave expansion (PWE) method in the irreducible part of the Brillouin zone (BZ). In this study, we analyse the dependence of the band structures inside (the complete band gap width) on c/a and filling fraction in the irreducible part of the first BZ. Also, we have analysed the band structure of the ALHA and MLHKM planes. The results show that the maximum width of absolute elastic band gap (AEBG) (0.045) in the irreducible part of the BZ of HEX lattice is formed for c/a=6 and filling fraction equal to 0.01. In addition, the maximum of the first and second AEBG widths are 0.0884 and 0.0474, respectively, in the MLHKM plane, and the maximum of the first and second AEBG widths are 0.0851 and 0.0431, respectively, in the ALHA plane.

  13. Complete multipactor suppression in an X-band dielectric-loaded accelerating structure

    Science.gov (United States)

    Jing, C.; Gold, S. H.; Fischer, Richard; Gai, W.

    2016-05-01

    Multipactor is a major issue limiting the gradient of rf-driven Dielectric-Loaded Accelerating (DLA) structures. Theoretical models have predicted that an axial magnetic field applied to DLA structures may completely block the multipactor discharge. However, previous attempts to demonstrate this magnetic field effect in an X-band traveling-wave DLA structure were inconclusive, due to the axial variation of the applied magnetic field, and showed only partial suppression of the multipactor loading [Jing et al., Appl. Phys. Lett. 103, 213503 (2013)]. The present experiment has been performed under improved conditions with a uniform axial magnetic field extending along the length of an X-band standing-wave DLA structure. Multipactor loading began to be continuously reduced starting from 3.5 kG applied magnetic field and was completely suppressed at ˜8 kG. Dependence of multipactor suppression on the rf gradient inside the DLA structure was also measured.

  14. The Development of Layered Photonic Band Gap Structures Using a Micro-Transfer Molding Technique

    Energy Technology Data Exchange (ETDEWEB)

    Kevin Jerome Sutherland

    2001-05-01

    Photonic band gap (PBG) crystals are periodic dielectric structures that manipulate electromagnetic radiation in a manner similar to semiconductor devices manipulating electrons. Whereas a semiconductor material exhibits an electronic band gap in which electrons cannot exist, similarly, a photonic crystal containing a photonic band gap does not allow the propagation of specific frequencies of electromagnetic radiation. This phenomenon results from the destructive Bragg diffraction interference that a wave propagating at a specific frequency will experience because of the periodic change in dielectric permitivity. This gives rise to a variety of optical applications for improving the efficiency and effectiveness of opto-electronic devices. These applications are reviewed later. Several methods are currently used to fabricate photonic crystals, which are also discussed in detail. This research involves a layer-by-layer micro-transfer molding ({mu}TM) and stacking method to create three-dimensional FCC structures of epoxy or titania. The structures, once reduced significantly in size can be infiltrated with an organic gain media and stacked on a semiconductor to improve the efficiency of an electronically pumped light-emitting diode. Photonic band gap structures have been proven to effectively create a band gap for certain frequencies of electro-magnetic radiation in the microwave and near-infrared ranges. The objective of this research project was originally two-fold: to fabricate a three dimensional (3-D) structure of a size scaled to prohibit electromagnetic propagation within the visible wavelength range, and then to characterize that structure using laser dye emission spectra. As a master mold has not yet been developed for the micro transfer molding technique in the visible range, the research was limited to scaling down the length scale as much as possible with the current available technology and characterizing these structures with other methods.

  15. Electron-Phonon Renormalization of Electronic Band Structures of C Allotropes and BN Polymorphs

    Science.gov (United States)

    Tutchton, Roxanne M.; Marchbanks, Christopher; Wu, Zhigang

    The effect of lattice vibration on electronic band structures has been mostly neglected in first-principles calculations because the electron-phonon (e-ph) renormalization of quasi-particle energies is often small (zero-point renormalizations of band gaps in these materials, except for graphene, are larger than 100 meV, and (2) there are large variations in e-ph renormalization of band gaps due to differences in crystal structure. This work was supported by a U.S. DOE Early Career Award (Grant No. DE-SC0006433). Computations were carried out at the Golden Energy Computing Organization at CSM and the National Energy Research Scientific Computing Center (NERSC).

  16. Study on temperature property of band structures in onedimensional photonic crystals

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Using transfer matrix method, the optical transmission properties in one-dimensional (1-D) photonic crystal is analyzed.When the temperature varies, not only the refractive index of the optical medium is changed because of the thermo-optical effect, but also the thickness of the optical medium is changed due to the thermal-expansion effect. Thus, the structure of 1/4 wave-plate stack in original photonic crystal is destroyed and the band structure varies. In this work, the effects of the temperature variation on the first and second band gap in a 1-D photonic crystal are analyzed in detail. It is found that the changes of the starting wavelength, the cut-off wavelength and the forbidden band width depend linearly on the temperature.

  17. Global Evolutionary Algorithms in the Design of Electromagnetic Band Gap Structures with Suppressed Surface Waves Propagation

    Directory of Open Access Journals (Sweden)

    P. Kovacs

    2010-04-01

    Full Text Available The paper is focused on the automated design and optimization of electromagnetic band gap structures suppressing the propagation of surface waves. For the optimization, we use different global evolutionary algorithms like the genetic algorithm with the single-point crossover (GAs and the multi-point (GAm one, the differential evolution (DE and particle swarm optimization (PSO. The algorithms are mutually compared in terms of convergence velocity and accuracy. The developed technique is universal (applicable for any unit cell geometry. The method is based on the dispersion diagram calculation in CST Microwave Studio (CST MWS and optimization in Matlab. A design example of a mushroom structure with simultaneous electromagnetic band gap properties (EBG and the artificial magnetic conductor ones (AMC in the required frequency band is presented.

  18. Dielectric band structure of crystals: General properties, and calculations for silicon

    International Nuclear Information System (INIS)

    We shift the dielectric band structure method, orginially proposed by Baldereschi and Tosatti for the description of microscopic electronic screening in crystals. Some general properties are examined first, including the requirements of causality and stability. The specific test case of silicon is then considered. Dielectric bands are calculated, according to several different prescriptions for the construction of the dielectric matrix. It is shown that the results allow a very direct appraisal of the screening properties of the system, as well as of the quality of the dielectric model adopted. The electronic charge displacement induced by γsub(25') and X3 phonon-like displacements of the atoms is also calculated and compared with the results of existent full self-consistent calculations. Conclusions are drawn on the relative accuracies of the dielectric band structures. (author)

  19. Mini-Dirac cones in the band structure of a copper intercalated epitaxial graphene superlattice

    Science.gov (United States)

    Forti, S.; Stöhr, A.; Zakharov, A. A.; Coletti, C.; Emtsev, K. V.; Starke, U.

    2016-09-01

    The electronic band structure of an epitaxial graphene superlattice, generated by intercalating a monolayer of Cu atoms, is directly imaged by angle-resolved photoelectron spectroscopy. The 3.2 nm lateral period of the superlattice is induced by a varying registry between the graphene honeycomb and the Cu atoms as imposed by the heteroepitaxial interface Cu/SiC. The carbon atoms experience a lateral potential across the supercell of an estimated value of about 65 meV. The potential leads to strong energy renormalization in the band structure of the graphene layer and the emergence of mini-Dirac cones. The mini-cones’ band velocity is reduced to about half of graphene's Fermi velocity. Notably, the ordering of the interfacial Cu atoms can be reversibly blocked by mild annealing. The superlattice indeed disappears at ∼220 °C.

  20. Band structure and optical properties of highly anisotropic LiBa2[B10O16(OH)3] decaborate crystal

    International Nuclear Information System (INIS)

    The band structure (BS), charge density distribution and linear-optical properties of the anisotropic crystal LiBa2[B10O16(OH)3] (LBBOH) are calculated using a self-consistent norm-conserving pseudopotential method within the framework of the local-density approximation theory. A high anisotropy of the band energy gap (4.22 eV for the E parallel b, 4.46 eV for the E parallel c) and giant birefringence (up to 0.20) are found. Comparison of the theoretically calculated and the experimentally measured polarised spectra of the imaginary part of the dielectric susceptibility ε2 shows a good agreement. The anisotropy of the charge density distribution, BS dispersion and of the optical spectra originate from anisotropy between the 2pzB-2pzO and 2py,xB-2py,yO bonding orbitals. The observed anisotropy in the LBBOH is principally different from that of β-BaB2O4 (BBO) single crystals. In the LBBOH single crystals the anisotropy of optical and charge density distribution is caused by different projection of the orbitals originating from particular borate clusters on the particular crystallographic axes, contrary to the BBO, where the anisotropy is caused prevailingly by a different local site symmetry of oxygen within the borate planes. The observed anisotropy is analysed in terms of the band energy dispersion and space charge density distribution

  1. Hybrid functional band gap calculation of SnO6 containing perovskites and their derived structures

    International Nuclear Information System (INIS)

    We have studied the properties of SnO6 octahedra-containing perovskites and their derived structures using ab initio calculations with different density functionals. In order to predict the correct band gap of the materials, we have used B3LYP hybrid density functional, and the results of B3LYP were compared with those obtained using the local density approximation and generalized gradient approximation data. The calculations have been conducted for the orthorhombic ground state of the SnO6 containing perovskites. We also have expended the hybrid density functional calculation to the ASnO3/A'SnO3 system with different cation orderings. We propose an empirical relationship between the tolerance factor and the band gap of SnO6 containing oxide materials based on first principles calculation. - Graphical abstract: (a) Structure of ASnO3 for orthorhombic ground state. The green ball is A (Ba, Sr, Ca) cation and the small (red) ball on edge is oxygen. SnO6 octahedrons are plotted as polyhedron. (b) Band gap of ASnO3 as a function of the tolerance factor for different density functionals. The experimental values of the band gap are marked as green pentagons. (c) ASnO3/A'SnO3 superlattices with two types cation arrangement: [001] layered structure and [111] rocksalt structure, respectively. (d) B3LYP hybrid functional band gaps of ASnO3, [001] ordered superlattices, and [111] ordered superlattices of ASnO3/A'SnO3 as a function of the effective tolerance factor. Note the empirical linear relationship between the band gap and effective tolerance factor. - Highlights: • We report the hybrid functional band gap calculation of ASnO3 and ASnO3/A'SnO3. • The band gap of ASnO3 using B3LYP functional reproduces the experimental value. • We propose the linear relationship between the tolerance factor and the band gap

  2. Band structure, cohesive properties, and Compton profile of γ- and α-cerium

    Science.gov (United States)

    Podloucky, R.; Glötzel, D.

    1983-03-01

    Recent Compton scattering experiments on the high-volume (γ) and low-volume (α) phases of fcc cerium and their interpretation in terms of the renormalized-free-atom model cast severe doubts on the promotional model of Pauling and Zachariasen for the γ-α transition. Stimulated by these results, we have extended a previous self-consistent local-density band-structure investigation to study the Compton profiles of γ- and α-cerium. For the band structure, Bloch functions, and their Fourier transforms we use the linear muffin-tin orbital method in the atomic-sphere approximation. We analyze the calculated Compton profiles in terms of band structure and local angular momentum character of the wave functions. The change in band structure and wave functions under compression (with approximately one electron per atom in the 4f band of both phases) accounts well for the observed change in the Compton profile. This provides further evidence against the promotional model in agreement with the analysis of Kornstädt et al. In addition, we study the cohesive energy of fcc cerium as a function of volume in the local-density approximation. For α-cerium in the 4f1(5d 6s)3 configuration we find a cohesive energy of 5.4 eV/atom in good agreement with experiment, whereas the "promotional" 4f0(5d 6s)4 state yields a binding energy of 0.6 eV/atom only. Therefore the fourth valence electron has to be a 4f electron, and α-cerium has to be regarded as an f-band metal.

  3. Crystal structure, energy band and optical properties of dysprosium monophosphate DyPO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Khadraoui, Z.; Bouzidi, C., E-mail: bouzidtc@yahoo.fr; Horchani-Naifer, K.; Ferid, M.

    2014-12-25

    Graphical abstract: The monophosphate DyPO{sub 4} has been synthesized by high temperature solid-state reaction method and was structurally characterized by single crystal X-ray diffraction. DyPO{sub 4} crystallizes in the tetragonal system (I4{sub 1}/Iamd). The energy-band structure, density of states and the chemical bonds have been investigated by density functional methods (DFT). - Highlights: • The DyPO{sub 4} has been synthesized by high temperature solid-state reaction method. • DFT was used to determine the electronic structure and optical properties of DyPO{sub 4}. • The monophosphate DyPO{sub 4} is an insulator with direct band gap (6.38 eV). - Abstract: A rare earth monophosphate crystal of DyPO{sub 4} has been synthesized by high temperature solid-state reaction method and was structurally characterized by single crystal X-ray diffraction. Atomic arrangement of DyPO{sub 4} structure is based on corner and edge sharing PO{sub 4} tetrahedra and DyO{sub 8} polyhedra. The FTIR, Raman, Scanning electron microscopy, diffuse reflectance and emission spectra of the compound have been investigated. Density functional calculation using a Generalized Gradient Approximation was used to determine the electronic structure and optical properties. The calculated total and partial densities of states indicate that the top of valance band is mainly built upon O-2p states with P-3p states via σ (P–O) interactions, and the low conduction bands mostly originates from Dy-5d. The results show that the monophosphate DyPO{sub 4} is an insulator with a calculated band gap (5.8 eV) closer to the experimental value (6.38 eV)

  4. Structure and Evolution of Convection Band Occurred over the Korean Peninsula

    Science.gov (United States)

    Kim, W.; Lee, T.

    2011-12-01

    A significant portion of the annual precipitation on the Korean peninsula is produced by heavy precipitation systems (HPSs) during summer. HPSs over the Korean peninsula could be classified into four major types (convection bands, cloud clusters, isolated thunderstorms, and squall lines) by phenomenological analysis. Among four major types of HPSs, convection bands (CBs) tend to concentrate a large amount of rainfall over limited area due to their quasi-stationary behavior for several hours. Convective cells embedded in CB move along the band and new cells are continuously formed in the upstream of the band. In this study, the structure and evolution of CB have been investigated using NCEP Climate Forecast System Reanalysis (CFSR) data and Weather Research and Forecasting (WRF) model. Thirty CB cases occurred during 2000-2010 were selected to conduct composite analysis. We obtained several profiles which represent northern area (NA), southern area (SA), and upstream area (UA) of CB by composite analysis. Modest band-perpendicular wind component (5 m s-1) is found in the level of 925-1000 hPa in SA, while band-perpendicular wind component of NA is nearly zero. Additionally, equivalent potential temperature in the lower-troposphere of SA is about 10 K larger than that of NA. Low-level band-perpendicular wind component of SA seems to play an important role in the development of CB by providing the environment for large-scale convergence and transporting warm and moist air from southern area of CB. Band-parallel wind component is predominant in the middle- and lower-troposphere. On the basis of the results of composite analysis, ideal simulation for the evolution of CB was set up. The analysis for the evolution of CB is in progress.

  5. k.p Parameters with Accuracy Control from Preexistent First-Principles Band Structure Calculations

    Science.gov (United States)

    Sipahi, Guilherme; Bastos, Carlos M. O.; Sabino, Fernando P.; Faria Junior, Paulo E.; de Campos, Tiago; da Silva, Juarez L. F.

    The k.p method is a successful approach to obtain band structure, optical and transport properties of semiconductors. It overtakes the ab initio methods in confined systems due to its low computational cost since it is a continuum method that does not require all the atoms' orbital information. From an effective one-electron Hamiltonian, the k.p matrix representation can be calculated using perturbation theory and the parameters identified by symmetry arguments. The parameters determination, however, needs a complementary approach. In this paper, we developed a general method to extract the k.p parameters from preexistent band structures of bulk materials that is not limited by the crystal symmetry or by the model. To demonstrate our approach, we applied it to zinc blende GaAs band structure calculated by hybrid density functional theory within the Heyd-Scuseria-Ernzerhof functional (DFT-HSE), for the usual 8 ×8 k.p Hamiltonian. Our parameters reproduced the DFT-HSE band structure with great accuracy up to 20% of the first Brillouin zone (FBZ). Furthermore, for fitting regions ranging from 7-20% of FBZ, the parameters lie inside the range of values reported by the most reliable studies in the literature. The authors acknowledge financial support from the Brazilian agencies CNPq (Grant #246549/2012-2) and FAPESP (Grants #2011/19333-4, #2012/05618-0 and #2013/23393-8).

  6. A Review of Electronic Band Structure of Graphene and Carbon Nanotubes Using Tight Binding

    Directory of Open Access Journals (Sweden)

    Davood Fathi

    2011-01-01

    Full Text Available The electronic band structure variations of single-walled carbon nanotubes (SWCNTs using Huckle/tight binding approximation theory are studied. According to the chirality indices, the related expressions for energy dispersion variations of these elements are derived and plotted for zigzag and chiral nanotubes.

  7. NiO: correlated band structure of a charge-transfer insulator

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan; Anisimov, V.I.; Skornyakov, S.L.; Lukoyanov, A.V.; Vollhardt, D.

    2007-01-01

    Roč. 99, č. 15 (2007), 156404/1-156404/4. ISSN 0031-9007 Institutional research plan: CEZ:AV0Z10100521 Keywords : band structure * dynamical mean field * charge transfer insulators Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 6.944, year: 2007

  8. Band structure and optical properties of LiKB4O7 single crystal

    NARCIS (Netherlands)

    Smok, P; Seinert, H; Kityk, [No Value; Berdowski, J

    2003-01-01

    The band structure (BS), electronic charge density distribution and linear optical properties of the LiKB4O7 (LKB4) single crystal are calculated using a self-consistent norm-conserving pseudo-potential method within the framework of the local density approximation theory. Dispersion of the imaginar

  9. Photonic Band Structure of Dispersive Metamaterials Formulated as a Hermitian Eigenvalue Problem

    KAUST Repository

    Raman, Aaswath

    2010-02-26

    We formulate the photonic band structure calculation of any lossless dispersive photonic crystal and optical metamaterial as a Hermitian eigenvalue problem. We further show that the eigenmodes of such lossless systems provide an orthonormal basis, which can be used to rigorously describe the behavior of lossy dispersive systems in general. © 2010 The American Physical Society.

  10. Band structure of ZrS{sub x}Se{sub 2-x} by ARPES

    Energy Technology Data Exchange (ETDEWEB)

    Moustafa, Mohamed; Paulheim, Alexander; Janowitz, Christoph; Manzke, Recardo [Institut fuer Physik, Humboldt-Universitaet Berlin, Berlin (Germany)

    2011-07-01

    The valence band structure of mixed samples of ZrS{sub x} Se{sub 2-x} single crystals, where x varies from 0 to 2, has been studied by means of high-resolution angle-resolved photoelectron spectroscopy (ARPES) using synchrotron radiation. The crystals were found to be extrinsic n-type semiconductors with indirect bandgap. The composition dependence of the band structure is presented and discussed. A characteristic splitting of the chalcogen p-derived valence bands at the symmetric point A is observed. The size of the splitting shows to increases almost linearly as progressing from ZrS{sub 2} to ZrSe{sub 2} reaching 320 meV. Further, the energy gap values are estimated from the valence band maximum to the observed emission close to the conduction band minimum. The gaps are found to vary from 1.78 eV to 1.16 eV for ZrS{sub 2} to ZrSe{sub 2}, respectively, and are compared to our previously reported optical values.

  11. Design of UWB Monopole Antenna with Dual Notched Bands Using One Modified Electromagnetic-Bandgap Structure

    Directory of Open Access Journals (Sweden)

    Hao Liu

    2013-01-01

    Full Text Available A modified electromagnetic-bandgap (M-EBG structure and its application to planar monopole ultra-wideband (UWB antenna are presented. The proposed M-EBG which comprises two strip patch and an edge-located via can perform dual notched bands. By properly designing and placing strip patch near the feedline, the proposed M-EBG not only possesses a simple structure and compact size but also exhibits good band rejection. Moreover, it is easy to tune the dual notched bands by altering the dimensions of the M-EBG. A demonstration antenna with dual band-notched characteristics is designed and fabricated to validate the proposed method. The results show that the proposed antenna can satisfy the requirements of VSWR < 2 over UWB 3.1–10.6 GHz, except for the rejected bands of the world interoperability for microwave access (WiMAX and the wireless local area network (WLAN at 3.5 GHz and 5.5 GHz, respectively.

  12. Valley-dependent band structure and valley polarization in periodically modulated graphene

    Science.gov (United States)

    Lu, Wei-Tao

    2016-08-01

    The valley-dependent energy band and transport property of graphene under a periodic magnetic-strained field are studied, where the time-reversal symmetry is broken and the valley degeneracy is lifted. The considered superlattice is composed of two different barriers, providing more degrees of freedom for engineering the electronic structure. The electrons near the K and K' valleys are dominated by different effective superlattices. It is found that the energy bands for both valleys are symmetric with respect to ky=-(AM+ξ AS) /4 under the symmetric superlattices. More finite-energy Dirac points, more prominent collimation behavior, and new crossing points are found for K' valley. The degenerate miniband near the K valley splits into two subminibands and produces a new band gap under the asymmetric superlattices. The velocity for the K' valley is greatly renormalized compared with the K valley, and so we can achieve a finite velocity for the K valley while the velocity for the K' valley is zero. Especially, the miniband and band gap could be manipulated independently, leading to an increase of the conductance. The characteristics of the band structure are reflected in the transmission spectra. The Dirac points and the crossing points appear as pronounced peaks in transmission. A remarkable valley polarization is obtained which is robust to the disorder and can be controlled by the strain, the period, and the voltage.

  13. Observation of dark-current signals from the S-band structures of the SLAC linac

    International Nuclear Information System (INIS)

    It is well known that the electro-magnetic fields in high-gradient RF structures can cause electron emission from the metallic structure walls. If the emitted electrons are captured and accelerated by the accelerating fields so-called dark-current is induced. Dark-currents have been measured and studied for various RF-structures. In this paper the authors present measurements of RF induced signals for the SLC S-band structures. For nominal gradients of 17 MV/m it is shown that the dark-current can be strong enough to significantly reduce the signal-to-noise ratio of the SLC beam wire scanners. They also show results from RF measurements in the dipole band. The measurements are compared to more direct observations of dark-current and it is tried to connect the results to possible effects on the accelerated particle beam

  14. Ferromagnetism and the electronic band structure in (Ga,Mn)(Bi,As) epitaxial layers

    International Nuclear Information System (INIS)

    Impact of Bi incorporation into (Ga,Mn)As layers on their electronic- and band-structures as well as their magnetic and structural properties has been studied. Homogenous (Ga,Mn)(Bi,As) layers of high structural perfection have been grown by the low-temperature molecular-beam epitaxy technique. Post-growth annealing treatment of the layers results in an improvement of their structural and magnetic properties and an increase in the hole concentration in the layers. The modulation photoreflectance spectroscopy results are consistent with the valence-band model of hole-mediated ferromagnetism in the layers. This material combines the properties of (Ga,Mn)As and Ga(Bi,As) ternary compounds and offers the possibility of tuning its electrical and magnetic properties by controlling the alloy composition.

  15. Dyadic Green's function study of band structures of dispersive photonic crystals

    International Nuclear Information System (INIS)

    We present here in terms of a dyadic Green's function (DGF) a general description of optical phenomena in photonic crystal (PC) structures, described particularly by frequency-dependent components, assuming that PC structures are decomposed into their relatively simple constituent parts via conductivity tensors. We demonstrate this approach by explicitly calculating the DGFs for electromagnetic waves propagating in the one- and two-dimensional dispersive PCs consisting of a periodic array of identical metallic quantum wells and a periodic square array of identical metallic quantum wires, each embedded in a three-dimensional dispersive medium. By means of the explicit analytic dispersion relations, which result from the frequency poles of the corresponding DGFs, we also calculate the band structures of these dispersive PCs by simple numerical means. Our analysis shows that the band structures calculated from our DGF approach conform well with those calculated from the traditional computational methods.

  16. Wide-band underwater acoustic absorption based on locally resonant unit and interpenetrating network structure

    International Nuclear Information System (INIS)

    The interpenetrating network structure provides an interesting avenue to novel materials. Locally resonant phononic crystal (LRPC) exhibits excellent sound attenuation performance based on the periodical arrangement of sound wave scatters. Combining the LRPC concept and interpenetrating network glassy structure, this paper has developed a new material which can achieve a wide band underwater strong acoustic absorption. Underwater absorption coefficients of different samples were measured by the pulse tube. Measurement results show that the new material possesses excellent underwater acoustic effects in a wide frequency range. Moreover, in order to investigate impacts of locally resonant units, some defects are introduced into the sample. The experimental result and the theoretical calculation both show that locally resonant units being connected to a network structure play an important role in achieving a wide band strong acoustic absorption. (condensed matter: structure, thermal and mechanical properties)

  17. Band structure effects in nitrogen K-edge resonant inelastic X ray scattering from GaN

    OpenAIRE

    Strocov, V. N.; Schmitt, T.; Rubensson, J.-E.; Blaha, P; Paskova, T.; Nilsson, P. O.

    2004-01-01

    Systematic experimental data on resonant inelastic X-ray scattering (RIXS) in GaN near the N K-edge are presented for the first time. Excitation energy dependence of the spectral structures manifests the band structure effects originating from momentum selectivity of the RIXS process. This finding allows obtaining k-resolved band structure information for GaN crystals and nanostructures.

  18. RF breakdown studies on an S-band disk-loaded structure

    International Nuclear Information System (INIS)

    RF breakdown test in an S-band traveling wave accelerating structure were studied by use of a resonant ring. The accelerating structure with a surface roughness of 300 nm was used without any special treatment after the fabrication. The maximum field gradient on the beam axis was 104.5 MV/m with a peak field-emission current of 24 mA. This current level, however, was decreasing by the RF processing. (author)

  19. Electromagnetic wave band structure due to surface plasmon resonances in a complex plasma

    Science.gov (United States)

    Vladimirov, S. V.; Ishihara, O.

    2016-07-01

    The dielectric properties of complex plasma containing either metal or dielectric spherical inclusions (macroparticles, dust) are investigated. We focus on surface plasmon resonances on the macroparticle surfaces and their effect on electromagnetic wave propagation. It is demonstrated that the presence of surface plasmon oscillations can significantly modify plasma electromagnetic properties by resonances and cutoffs in the effective permittivity. This leads to related branches of electromagnetic waves and to the wave band gaps. The conditions necessary to observe the band-gap structure in laboratory dusty plasma and/or space (cosmic) dusty plasmas are discussed.

  20. Investigation of band structure of {sup 103,105}Rh using microscopic computational technique

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Amit, E-mail: akbcw2@gmail.com [Research Scholar, Department of Physics and Electronics, University of Jammu, Jammu-180006 (India); Singh, Suram, E-mail: suramsingh@gmail.com [Assistant Professor, Department of Physics Govt. Degree College, Kathua-184142 (India); Bharti, Arun, E-mail: arunbharti-2003@yahoo.co.in [Professor, Department of Physics and Electronics, University of Jammu, Jammu-180006 (India)

    2015-08-28

    The high-spin structure in {sup 61}Cu nucleus is studied in terms of effective two body interaction. In order to take into account the deformed BCS basis, the basis states are expanded in terms of the core eigenfunctions. Yrast band with some other bands havew been obtained and back-bending in moment of inertia has also been calculated and compared with the available experimental data for {sup 61}Cu nucleus. On comparing the available experimental as well as other theoretical data, it is found that the treatment with PSM provides a satisfactory explanation of the available data.

  1. Dual Band and Beam-Steering Antennas Using Reconfigurable Feed on Sierpinski Structure

    OpenAIRE

    Seonghun Kang; Chang Won Jung

    2015-01-01

    Fractal patch antennas based on the Sierpinski structure are studied in this paper. The antennas operate at dual bands (around 2 and 5 GHz) and are designed to steer the beam directions at around 5 GHz band (the first harmonic). The antennas use reconfigurable triple feeds on the same antenna plane to have three beam directions. The same scale factor defines the geometrical self-similarity of the Sierpinski fractal. The proposed antennas are fabricated through three iterations from 1st order ...

  2. Electromagnetic wave band structure due to surface plasmon resonances in a complex plasma.

    Science.gov (United States)

    Vladimirov, S V; Ishihara, O

    2016-07-01

    The dielectric properties of complex plasma containing either metal or dielectric spherical inclusions (macroparticles, dust) are investigated. We focus on surface plasmon resonances on the macroparticle surfaces and their effect on electromagnetic wave propagation. It is demonstrated that the presence of surface plasmon oscillations can significantly modify plasma electromagnetic properties by resonances and cutoffs in the effective permittivity. This leads to related branches of electromagnetic waves and to the wave band gaps. The conditions necessary to observe the band-gap structure in laboratory dusty plasma and/or space (cosmic) dusty plasmas are discussed. PMID:27575225

  3. Topological band order, structural, electronic and optical properties of XPdBi (X = Lu, Sc) compounds

    Science.gov (United States)

    Narimani, M.; Nourbakhsh, Z.

    2016-05-01

    In this paper, the structural, electronic and optical properties of LuPdBi and ScPdBi compounds are investigated using the density functional theory by WIEN2K package within the generalized gradient approximation, local density approximation, Engel-Vosco generalized gradient approximations and modified Becke-Johnson potential approaches. The topological phases and band orders of these compounds are studied. The effect of pressure on band inversion strength, electron density of states and the linear coefficient of the electronic specific heat of these compounds is investigated. Furthermore, the effect of pressure on real and imaginary parts of dielectric function, absorption and reflectivity coefficients of these compounds is studied.

  4. Investigation of band structure of 103,105Rh using microscopic computational technique

    International Nuclear Information System (INIS)

    The high-spin structure in 61Cu nucleus is studied in terms of effective two body interaction. In order to take into account the deformed BCS basis, the basis states are expanded in terms of the core eigenfunctions. Yrast band with some other bands havew been obtained and back-bending in moment of inertia has also been calculated and compared with the available experimental data for 61Cu nucleus. On comparing the available experimental as well as other theoretical data, it is found that the treatment with PSM provides a satisfactory explanation of the available data

  5. Metal-induced gap states in ferroelectric capacitors and its relationship with complex band structures

    Science.gov (United States)

    Junquera, Javier; Aguado-Puente, Pablo

    2013-03-01

    At metal-isulator interfaces, the metallic wave functions with an energy eigenvalue within the band gap decay exponentially inside the dielectric (metal-induced gap states, MIGS). These MIGS can be actually regarded as Bloch functions with an associated complex wave vector. Usually only real values of the wave vectors are discussed in text books, since infinite periodicity is assumed and, in that situation, wave functions growing exponentially in any direction would not be physically valid. However, localized wave functions with an exponential decay are indeed perfectly valid solution of the Schrodinger equation in the presence of defects, surfaces or interfaces. For this reason, properties of MIGS have been typically discussed in terms of the complex band structure of bulk materials. The probable dependence on the interface particulars has been rarely taken into account explicitly due to the difficulties to include them into the model or simulations. We aim to characterize from first-principles simulations the MIGS in realistic ferroelectric capacitors and their connection with the complex band structure of the ferroelectric material. We emphasize the influence of the real interface beyond the complex band structure of bulk materials. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes''. Computer resources provided by the RES.

  6. Structural characteristic correlated to the electronic band gap in Mo S2

    Science.gov (United States)

    Chu, Shengqi; Park, Changyong; Shen, Guoyin

    2016-07-01

    The structural evolution with pressure in bulk Mo S2 has been investigated by high-pressure x-ray diffraction using synchrotron radiation. We found that the out-of-plane S-Mo-S bond angle θ increases and that in in-plane angle ϕ decreases linearly with increasing pressure across the known semiconducting-to-metal phase transition, whereas the Mo-S bond length and the S-Mo-S trilayer thickness display only little change. Extrapolating the experimental result along the in-plane lattice parameter with pressure, both S-Mo-S bond angles trend to those found in monolayer Mo S2 , which manifests as a structural characteristic closely correlating the electronic band gap of Mo S2 to its physical forms and phases, e.g., monolayer as direct band gap semiconductor, multilayer or bulk as indirect band gap semiconductor, and high-pressure (>19 GPa ) bulk form as metal. Combined with the effects of bond strength and van der Waals interlayer interactions, the structural correlations between the characteristic bond angle and electronic band gaps are readily extendible to other transition metal dichalcogenide systems (M X2 , where M =Mo , W and X =S , Se, Te).

  7. 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.

  8. Comparison of the chromosome banding patterns in Dryomys laniger and D. nitedula from Turkey

    Czech Academy of Sciences Publication Activity Database

    Arslan, A.; Kankilic, T.; Yorulmaz, T.; Kankilic, T.; Zima, Jan

    2016-01-01

    Roč. 40, č. 3 (2016), s. 363-368. ISSN 1300-0179 Institutional support: RVO:68081766 Keywords : dormice * karyotype * C-banding * AgNOR staining Subject RIV: EG - Zoology Impact factor: 0.630, year: 2014

  9. Quasiparticle excitations in valence-fluctuation materials: effects of band structure and crystal fields

    International Nuclear Information System (INIS)

    Evidence is now quite strong that the elementary hybridization model is the correct way to understand the lattice-coherent Fermi liquid regime at very low temperatures. Many-body theory leads to significant renormalizations of the input parameters, and many of the band-theoretic channels for hybridization are suppressed by the combined effects of Hund's-rule coupling, crystal-field splitting, and the f-f Coulomb repulsion U. Some exploratory calculations based on this picture are described, and some inferences are drawn about the band structures of several heavy-fermion materials. These inferences can and should be tested by suitably modified band-theoretic calculations. We find evidence for a significant Baber-scattering contribution in the very-low-temperature resistivity. A new mechanism is proposed for crossover from the coherent Fermi-liquid regime to the incoherent dense-Kondo regime. 28 refs

  10. Band structures of carbon nanotube with spin-orbit coupling interaction

    Energy Technology Data Exchange (ETDEWEB)

    Liu Hong, E-mail: liuhong3@njnu.edu.c [Physics Department, Nanjing Normal University, Nanjing 210046 (China)

    2011-01-01

    We explore the band structures of single-walled carbon nanotubes (SWCNTs) with two types of spin-orbit couplings. The obtained results indicate that weak Rashba spin-orbit coupling interaction can lead to the breaking of four-fold degeneracy in all tubes even though without the intrinsic SO coupling. The asymmetric splitting between conduction bands and valence bands is caused by both SO couplings at the same time. When the ratio of Rashba spin-orbit coupling to the intrinsic spin-orbit coupling is larger than 3, metallic zigzag nanotube is always metallic conductor, on the contrary it becomes semiconducting properties. However, only when this ratio is equal to about 3 or the intrinsic spin-orbit coupling is much weak, the metallic armchair nanotube still holds the metallic behavior in transport.

  11. G0W0 band structure of CdWO4

    International Nuclear Information System (INIS)

    The full quasiparticle band structure of CdWO4 is calculated within the single-shot GW (G0W0) approximation using maximally localized Wannier functions, which allows one to assess the validity of the commonly used scissor operator. Calculations are performed using the Godby–Needs plasmon pole model and the accurate contour deformation technique. It is shown that while the two methods yield identical band gap energies, the low-lying states are given inaccurately by the plasmon pole model. We report a band gap energy of 4.94 eV, including spin–orbit interaction at the DFT–LDA (density functional theory–local density approximation) level. Quasiparticle renormalization in CdWO4 is shown to be correlated with localization distance. Electron and hole effective masses are calculated at the DFT and G0W0 levels. (paper)

  12. Band gap and electronic structure of MgSiN2

    International Nuclear Information System (INIS)

    Density functional theory calculations and electron energy loss spectroscopy indicate that the electronic structure of ordered orthorhombic MgSiN2 is similar to that of wurtzite AlN. A band gap of 5.7 eV was calculated for both MgSiN2 (indirect) and AlN (direct) using the Heyd-Scuseria-Ernzerhof approximation. Correction with respect to the experimental room-temperature band gap of AlN indicates that the true band gap of MgSiN2 is 6.2 eV. MgSiN2 has an additional direct gap of 6.3 eV at the Γ point.

  13. Band gap and electronic structure of MgSiN{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Quirk, J. B., E-mail: james.quirk09@imperial.ac.uk; Råsander, M.; McGilvery, C. M.; Moram, M. A. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Palgrave, R. [Department of Chemistry, University College London, Gordon Street WC1H 0AJ (United Kingdom)

    2014-09-15

    Density functional theory calculations and electron energy loss spectroscopy indicate that the electronic structure of ordered orthorhombic MgSiN{sub 2} is similar to that of wurtzite AlN. A band gap of 5.7 eV was calculated for both MgSiN{sub 2} (indirect) and AlN (direct) using the Heyd-Scuseria-Ernzerhof approximation. Correction with respect to the experimental room-temperature band gap of AlN indicates that the true band gap of MgSiN{sub 2} is 6.2 eV. MgSiN{sub 2} has an additional direct gap of 6.3 eV at the Γ point.

  14. Effect of Symmetry Breaking on Electronic Band Structure: Gap Opening at the High Symmetry Points

    Directory of Open Access Journals (Sweden)

    Guillaume Vasseur

    2013-12-01

    Full Text Available Some characteristic features of band structures, like the band degeneracy at high symmetry points or the existence of energy gaps, usually reflect the symmetry of the crystal or, more precisely, the symmetry of the wave vector group at the relevant points of the Brillouin zone. In this paper, we will illustrate this property by considering two-dimensional (2D-hexagonal lattices characterized by a possible two-fold degenerate band at the K points with a linear dispersion (Dirac points. By combining scanning tunneling spectroscopy and angle-resolved photoemission, we study the electronic properties of a similar system: the Ag/Cu(111 interface reconstruction characterized by a hexagonal superlattice, and we show that the gap opening at the K points of the Brillouin zone of the reconstructed cell is due to the symmetry breaking of the wave vector group.

  15. Acoustic band gaps in 2D liquid phononic crystals of rectangular structure

    International Nuclear Information System (INIS)

    We present band structure results for a new two dimensional (2D) rectangular array geometry of water (mercury) cylinders of square cross section in a mercury (water) host. The results show that the water/mercury system, consisting of low-density cylinders in a high-density host, is the most favourable configuration for obtaining large acoustic gaps. Otherwise, only very small stop gaps can be found for the mercury/water systems. For a given cylinder width value, the lowest band gap may not always have the maximum width, but at some value in both systems the lowest band gap will always have the largest width. The differences in the case of circular cylinders are also discussed. (author)

  16. Transport and band structure studies of crystalline ZnRh2O4

    Energy Technology Data Exchange (ETDEWEB)

    Mansourian-Hadavi, Negar; Wansom, Supaporn; Perry, Nicola H.; Nagaraja, Arpun R.; Mason, Thomas O.; Ye, Lin-hui; Freeman, Arthur J.

    2010-02-17

    We report the synthesis and characterization of non-d{sup 10} p-type transparent conducting oxides of the normal spinel ZnRh{sub 2}O{sub 4}. Undoped ZnRh{sub 2}O{sub 4} was successfully prepared by means of bulk solid-state synthesis. The conduction mechanism and bulk defect chemistry of polycrystalline sintered pellets of ZnRh{sub 2}O{sub 4} were studied through electrical conductivity and Seebeck coefficient measurements, in defect equilibrium at elevated temperature under controlled atmospheres. Optical diffuse reflectance measurements were also carried out to evaluate band gap. The data were analyzed in terms of an activated mobility (small polaron conduction), with a hopping energy of 0.25 eV. Results from band structure calculations by LDA+U and optical band-gap measurement by UV-visible spectrometry are in good agreement with literature data.

  17. Savannah woody structure modelling and mapping using multi-frequency (X-, C- and L-band) Synthetic Aperture Radar data

    Science.gov (United States)

    Naidoo, Laven; Mathieu, Renaud; Main, Russell; Kleynhans, Waldo; Wessels, Konrad; Asner, Gregory; Leblon, Brigitte

    2015-07-01

    savannahs than the shorter wavelengths (X- and C-band) both as individual and combined (X + C-band) datasets. The addition of the shortest wavelengths also did not assist in the overall reduction of prediction error across different vegetation conditions (e.g. dense forested conditions, the dense shrubby layer and sparsely vegetated conditions). Although the integration of all three frequencies (X + C + L-band) yielded the best overall results for all three metrics (R2 = 0.83 for CC and AGB and R2 = 0.85 for TCV), the improvements were noticeable but marginal in comparison to the L-band alone. The results, thus, do not warrant the acquisition of all three SAR frequency datasets for tree structure monitoring in this environment.

  18. Comparison of shear banding in BMGs due to thermal-softening and free volume creation

    Institute of Scientific and Technical Information of China (English)

    LIU LongFei; DAI LanHong; BAI YiLong; KE FuJiu

    2008-01-01

    This paper reports a comparative study of shear banding in BMGs resulting from thermal softening and free volume creation. Firstly, the effects of thermal softening and free volume creation on shear instability are discussed. It is known that ther-mal softening governs thermal shear banding, hence it is essentially energy related. However, compound free volume creation is the key factor to the other instability, though void-induced softening seems to be the counterpart of thermal softening. So, the driving force for shear instability owing to free volume creation is very dif-ferent from the thermally assisted one. In particular, long wave perturbations are always unstable owing to compound free volume creation. Therefore, the shear instability resulting from coupled compound free volume creation and thermal softening may start more like that due to free volume creation. Also, the compound free volume creation implies a specific and intrinsic characteristic growth time of shear instability. Finally, the mature shear band width is governed by the corre-sponding diffusions (thermal or void diffusion) within the band. As a rough guide, the dimensionless numbers: Thermal softening related number B, Deborah number (denoting the relation of instability growth rate owing to compound free volume and loading time) and Lewis number (denoting the competition of different diffusions) show us their relative importance of thermal softening and free volume creation in shear banding. All these results are of particular significance in understanding the mechanism of shear banding in bulk metallic glasses (BMGs).

  19. Robust topology optimization of three-dimensional photonic-crystal band-gap structures

    CERN Document Server

    Men, Han; Freund, Robert M; Peraire, Jaime; Johnson, Steven G

    2014-01-01

    We perform full 3D topology optimization (in which "every voxel" of the unit cell is a degree of freedom) of photonic-crystal structures in order to find optimal omnidirectional band gaps for various symmetry groups, including fcc (including diamond), bcc, and simple-cubic lattices. Even without imposing the constraints of any fabrication process, the resulting optimal gaps are only slightly larger than previous hand designs, suggesting that current photonic crystals are nearly optimal in this respect. However, optimization can discover new structures, e.g. a new fcc structure with the same symmetry but slightly larger gap than the well known inverse opal, which may offer new degrees of freedom to future fabrication technologies. Furthermore, our band-gap optimization is an illustration of a computational approach to 3D dispersion engineering which is applicable to many other problems in optics, based on a novel semidefinite-program formulation for nonconvex eigenvalue optimization combined with other techniq...

  20. Study on Band Structure of YbB6 and Analysis of Its Optical Conductivity Spectrum

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The electronic structure of YbB6 crystal was studied by means of density functional (GGA+U) method.The calculations were performed by FLAPW method.The high accurate band structure was achieved.The correlation between the feature of the band structure and the Yb-B6 bonding in YbB6 was analyzed.On this basis, some optical constants of YbB6 such as reflectivity, dielectric function, optical conductivity, and energy-loss function were calculated.The results are in good agreement with the experiments.The real part of the optical conductivity spectrum and the energy-loss function spectrum were analyzed in detail.The assignments of the spectra were carried out to correlate the spectral peaks with the interband electronic transitions, which justify the reasonable part of previous empirical assignments and renew the missed or incorrect ones.

  1. Giant magnetoresistance and band structure of topological semimetal RhSb3

    Science.gov (United States)

    Wang, Kefeng; Wang, Limin; Nakajima, Y.; Wang, Renxiong; Yong, Jie; Paglione, J.

    2015-03-01

    Recently materials with skutterudite structure such as CoSb3 were predicted to provide a promising platform for the realization of new topological materials such as topological insulators and Dirac-Weyl semimetals. Here we report a detailed study of the electronic structure and magnetotransport properties of high quality RhSb3 single crystals. First-principles electronic structure calculations reveal a highly dispersive band with Sb-p and Rh-3d weight that shows apparent band inversion. Inclusion of spin-orbit coupling leaves the Fermi level pinned to a doublet, indicating a topological semimetal. Our synthesized high-quality single crystals show typical metallic behavior but with very small residual resistivity ratio, a sign of semimetal behavior, in zero field. We will present magnetotrasport data that exhibits a very large magnetoresistance that hints of a very sensitive evolution of electronic properties and Dirac-like spectrum.

  2. Bloch mode synthesis: Ultrafast methodology for elastic band-structure calculations

    Science.gov (United States)

    Krattiger, Dimitri; Hussein, Mahmoud I.

    2014-12-01

    We present a methodology for fast band-structure calculations that is generally applicable to problems of elastic wave propagation in periodic media. The methodology, called Bloch mode synthesis, represents an extension of component mode synthesis, a set of substructuring techniques originally developed for structural dynamics analysis. In Bloch mode synthesis, the unit cell is divided into interior and boundary degrees-of-freedom, which are described, respectively, by a set of normal modes and a set of constraint modes. A combination of these mode sets then forms a reduced basis for the band structure eigenvalue problem. The reduction is demonstrated on a phononic-crystal model and a locally resonant elastic-metamaterial model and is shown to accurately predict the frequencies and Bloch mode shapes with a dramatic decrease in computation time in excess of two orders of magnitude.

  3. Stable porous crystalline silicon with nanotubular structure: A predicted allotrope with direct band gap

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Chi-Pui, E-mail: duncantcp@yahoo.com.hk [National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China); Lunar and Planetary Science Laboratory, Macau University of Science and Technology, Macau (Macao); Cao, Jie [National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China); Xiong, Shi-Jie, E-mail: sjxiong@nju.edu.cn [National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China)

    2015-06-15

    On basis of the first principle calculation we show that a crystalline structure of silicon, as a novel allotrope with nanotubular holes along two perpendicular directions, is stable. The calculations on geometrical and electronic properties reveal that this allotrope possesses a direct band gap wider by 0.5 eV than the indirect one of silicon with diamond structure. The crystal belongs to I41/AMD space group, showing anisotropic optical properties and Young modulus. The bulk modulus is 64.4 GPa and the density is 1.9 g/cm{sup 3}, lower than that of the diamond silicon due to the presence of nanotubular holes. It is hopeful that the allotrope may widely expand applications of silicon in many fields due to its direct band gap and specific nanotubular structure.

  4. Band structure and itinerant magnetism in quantum critical NbFe2

    Energy Technology Data Exchange (ETDEWEB)

    Subedi, A. P. [University of Tennessee, Knoxville (UTK); Singh, David J [ORNL

    2010-01-01

    We report first-principles calculations of the band structure and magnetic ordering in the C14 Laves phase compound NbFe{sub 2}. The magnetism is itinerant in the sense that the moments are highly dependent on ordering. We find an overestimation of the magnetic tendency within the local spin-density approximation, similar to other metals near magnetic quantum critical points. We also find a competition between different magnetic states due to band-structure effects. These lead to competing magnetic tendencies due to competing interlayer interactions, one favoring a ferrimagnetic solution and the other an antiferromagnetic state. While the structure contains Kagome lattice sheets, which could, in principle, lead to strong magnetic frustration, the calculations do not show dominant nearest-neighbor antiferromagnetic interactions within these sheets. These results are discussed in relation to experimental observations.

  5. Stable porous crystalline silicon with nanotubular structure: A predicted allotrope with direct band gap

    International Nuclear Information System (INIS)

    On basis of the first principle calculation we show that a crystalline structure of silicon, as a novel allotrope with nanotubular holes along two perpendicular directions, is stable. The calculations on geometrical and electronic properties reveal that this allotrope possesses a direct band gap wider by 0.5 eV than the indirect one of silicon with diamond structure. The crystal belongs to I41/AMD space group, showing anisotropic optical properties and Young modulus. The bulk modulus is 64.4 GPa and the density is 1.9 g/cm3, lower than that of the diamond silicon due to the presence of nanotubular holes. It is hopeful that the allotrope may widely expand applications of silicon in many fields due to its direct band gap and specific nanotubular structure

  6. Experimental Studies Of W-band Accelerator Structures At High Field

    CERN Document Server

    Hill, M E

    2001-01-01

    A high-gradient electron accelerator is desired for high- energy physics research, where frequency scalings of breakdown and trapping of itinerant beamline particles dictates operation of the accelerator at short wavelengths. The first results of design and test of a high-gradient mm-wave linac with an operating frequency at 91.392 GHz (W-band) are presented. A novel approach to particle acceleration is presented employing a planar, dielectric lined waveguide used for particle acceleration. The traveling wave fields in the planar dielectric accelerator (PDA) are analyzed for an idealized structure, along with a circuit equivalent model used for understanding the structure as a microwave circuit. Along with the W-band accelerator structures, other components designed and tested are high power rf windows, high power attenuators, and a high power squeeze-type phase shifter. The design of the accelerator and its components where eased with the aide of numerical simulations using a finite-difference electromagneti...

  7. Band structure and electron-phonon coupling in H3S : A tight-binding model

    Science.gov (United States)

    Ortenzi, L.; Cappelluti, E.; Pietronero, L.

    2016-08-01

    We present a robust tight-binding description, based on the Slater-Koster formalism, of the band structure of H3S in the Im3 ¯m structure, stable in the range of pressure P =180 -220 GPa. We show that the interatomic hopping between the 3 s and 3 p orbitals (and partially between the 3 p orbitals themselves) of sulfur is fundamental to capturing the relevant physics associated with the Van Hove singularities close to the Fermi level. Comparing the model so defined with density functional theory calculations we obtain a very good agreement not only of the overall band structure but also of the low-energy states and the Fermi surface properties. The description in terms of Slater-Koster parameters permits us also to evaluate at a microscopic level a hopping-resolved linear electron-lattice coupling which can be employed for further tight-binding analyses also at a local scale.

  8. Engineered band structure for an enhanced performance on quantum dot-sensitized solar cells

    Science.gov (United States)

    Jin, Bin Bin; Wang, Ye Feng; Wei, Dong; Cui, Bin; Chen, Yu; Zeng, Jing Hui

    2016-06-01

    A photon-to-current efficiency of 2.93% is received for the Mn-doped CdS (MCdS)-quantum dot sensitized solar cells (QDSSCs) using Mn:ZnO (MZnO) nanowire as photoanode. Hydrothermal synthesized MZnO are spin-coated on fluorine doped tin oxide (FTO) glass with P25 paste to serve as photoanode after calcinations. MCdS was deposited on the MZnO film by the successive ionic layer adsorption and reaction method. The long lived excitation energy state of Mn2+ is located inside the conduction band in the wide bandgap ZnO and under the conduction band of CdS, which increases the energetic overlap of donor and acceptor states, reducing the "loss-in-potential," inhibiting charge recombination, and accelerating electron injection. The engineered band structure is well reflected by the electrochemical band detected using cyclic voltammetry. Cell performances are evidenced by current density-voltage (J-V) traces, diffuse reflectance spectra, transient PL spectroscopy, and incident photon to current conversion efficiency characterizations. Further coating of CdSe on MZnO/MCdS electrode expands the light absorption band of the sensitizer, an efficiency of 4.94% is received for QDSSCs.

  9. Multi-instrument observations of the electric and magnetic field structure of omega bands

    Directory of Open Access Journals (Sweden)

    J. A. Wild

    Full Text Available High time resolution data from the CUTLASS Finland radar during the interval 01:30-03:30 UT on 11 May, 1998, are employed to characterise the ionospheric electric field due to a series of omega bands extending ~5° in latitude at a resolution of 45 km in the meridional direction and 50 km in the azimuthal direction. E-region observations from the STARE Norway VHF radar operating at a resolution of 15 km over a comparable region are also incorporated. These data are combined with ground magnetometer observations from several stations. This allows the study of the ionospheric equivalent current signatures and height integrated ionospheric conductances associated with omega bands as they propagate through the field-of-view of the CUTLASS and STARE radars. The high-time resolution and multi-point nature of the observations leads to a refinement of the previous models of omega band structure. The omega bands observed during this interval have scale sizes ~500 km and an eastward propagation velocity ~0.75 km s-1. They occur in the morning sector (~05 MLT, simultaneously with the onset/intensification of a substorm to the west during the recovery phase of a previous substorm in the Scandinavian sector. A possible mechanism for omega band formation and their relationship to the substorm phase is discussed..

    Key words. Ionosphere (auroral ionosphere; electric fields and currents · Magnetospheric physics (magnetosphere-ionosphere interactions

  10. Determination of the valence band structure of an alkali phosphorus oxynitride glass: A synchrotron XPS study on LiPON

    Science.gov (United States)

    Schwöbel, André; Precht, Ruben; Motzko, Markus; Carrillo Solano, Mercedes A.; Calvet, Wolfram; Hausbrand, René; Jaegermann, Wolfram

    2014-12-01

    Lithium phosphorus oxynitride (LiPON) is a solid state electrolyte commonly used in thin film batteries (TFBs). Advanced TFBs face the issue of detrimental electrode-electrolyte interlayer formation, related to the electronic structure of the interface. In this contribution, we study the valence band structure of LiPON using resonant photoemission and synchrotron photoemission with variable excitation energies. The identification of different valence band features is done according to the known valence band features of meta- and orthophosphates. Additionally we compare our results with partial density of states simulations from literature. We find that the valence band structure is similar to the known metaphosphates with an additional contribution of nitrogen states at the top of the valence band. From the results we conclude that synchrotron X-ray photoemission (XPS) is a useful tool to study the valence band structure of nitridated alkali phosphate glasses.

  11. Calculation of the Hartree-Fock band structure in solid rare gases and ionic compounds - Application to the optical transitions

    International Nuclear Information System (INIS)

    The well-known 'augmented plane waves' method, for the calculation of electronic states in crystals, is first reviewed. A modification of this method in the case of insulators is then described, which treats exchange in the exact Hartree-Fock formulation, without use of the common free-electron approximation. The band structure of several rare gases (Ne, Ar) and ionic compounds (LiF, NaF, KF, LiCl, NaCl, KCl) has been calculated and discussed. The main point is the strong influence of correlation effects which must be taken into account before comparison between calculated and measured optical transitions. Such an improvement is obtained by including a local polarization potential in the one-electron Hamiltonian, leading to a good agreement of the theoretical transitions with the experimental ones. (author)

  12. Complex band structures of transition metal dichalcogenide monolayers with spin–orbit coupling effects

    Science.gov (United States)

    Szczęśniak, Dominik; Ennaoui, Ahmed; Ahzi, Saïd

    2016-09-01

    Recently, the transition metal dichalcogenides have attracted renewed attention due to the potential use of their low-dimensional forms in both nano- and opto-electronics. In such applications, the electronic and transport properties of monolayer transition metal dichalcogenides play a pivotal role. The present paper provides a new insight into these essential properties by studying the complex band structures of popular transition metal dichalcogenide monolayers (MX 2, where M  =  Mo, W; X  =  S, Se, Te) while including spin–orbit coupling effects. The conducted symmetry-based tight-binding calculations show that the analytical continuation from the real band structures to the complex momentum space leads to nonlinear generalized eigenvalue problems. Herein an efficient method for solving such a class of nonlinear problems is presented and yields a complete set of physically relevant eigenvalues. Solutions obtained by this method are characterized and classified into propagating and evanescent states, where the latter states manifest not only monotonic but also oscillatory decay character. It is observed that some of the oscillatory evanescent states create characteristic complex loops at the direct band gap of MX 2 monolayers, where electrons can directly tunnel between the band gap edges. To describe these tunneling currents, decay behavior of electronic states in the forbidden energy region is elucidated and their importance within the ballistic transport regime is briefly discussed.

  13. Band structures of phononic crystal composed of lattices with different periodic constants

    International Nuclear Information System (INIS)

    With a square lattice mercury and water system being as the model, the band structures of nesting and compound phononic crystals with two different lattice constants were investigated using the method of the supercell plane wave expansion. It was observed that large band gaps can be achieved in low frequency regions by adjusting one of the lattice constants. Meanwhile, effects similar to interstitial impurity defects can be achieved with the increase of lattice constant of the phononic crystal. The corresponding defect modes can be stimulated in band gaps. The larger the lattice constant, the stronger the localization effect of defect modes on the wave. In addition, the change of the filling fraction of impurity exerts great influence on the frequency and localization of defect modes. Furthermore, the change of the position of impurity has notable influence on the frequency of defect modes and their localization. However, the geometry structure and orientation of impurity have little effect on the frequency of defect modes and their localization in the band gap.

  14. Complex band structures of transition metal dichalcogenide monolayers with spin-orbit coupling effects.

    Science.gov (United States)

    Szczęśniak, Dominik; Ennaoui, Ahmed; Ahzi, Saïd

    2016-09-01

    Recently, the transition metal dichalcogenides have attracted renewed attention due to the potential use of their low-dimensional forms in both nano- and opto-electronics. In such applications, the electronic and transport properties of monolayer transition metal dichalcogenides play a pivotal role. The present paper provides a new insight into these essential properties by studying the complex band structures of popular transition metal dichalcogenide monolayers (MX 2, where M  =  Mo, W; X  =  S, Se, Te) while including spin-orbit coupling effects. The conducted symmetry-based tight-binding calculations show that the analytical continuation from the real band structures to the complex momentum space leads to nonlinear generalized eigenvalue problems. Herein an efficient method for solving such a class of nonlinear problems is presented and yields a complete set of physically relevant eigenvalues. Solutions obtained by this method are characterized and classified into propagating and evanescent states, where the latter states manifest not only monotonic but also oscillatory decay character. It is observed that some of the oscillatory evanescent states create characteristic complex loops at the direct band gap of MX 2 monolayers, where electrons can directly tunnel between the band gap edges. To describe these tunneling currents, decay behavior of electronic states in the forbidden energy region is elucidated and their importance within the ballistic transport regime is briefly discussed. PMID:27367475

  15. Design of C-band 50 MW klystron with traveling wave output structure

    International Nuclear Information System (INIS)

    This paper presents the simulation study of a C-band 50 MW klystron with disc-loaded waveguide traveling wave output structure. The electron gun with a perveance of 1.53 μP is designed. The gun has a voltage gradient lower than 22.1 kV/mm and a cathode load current lower than 6.3 A/cm2. The beam focusing system is a space-charge balanced flow type with solenoid magnet structure and the focusing beam trajectories have a good laminar condition. A single gap cavity is adopted instead of the traveling wave output structure in the initial beam-wave interaction simulation to decide the parameters of the cavities except the output structure. A C-band disc-loaded waveguide output structure working at π/2 mode is designed and the dispersion and interaction impedance of the structure are determined by the CST code. The beam-wave interaction system with disc-loaded waveguide output structure is simulated by a three-dimensional PIC code. More than 50 MW output power is obtained. The efficiency is more than 45% and the saturate gain is more than 50 dB. The voltage gradient of the disc-loaded waveguide output structure is 30 percent less than that of the single gap cavity and there is an increase of 4% in efficiency above that of the single gap cavity. (authors)

  16. Triaxial projected shell model description of high-spin band-structures in 103,105Rh isotopes

    International Nuclear Information System (INIS)

    High-spin band structures in odd-proton 103,105Rh are investigated using the microscopic triaxial projected shell model approach. It is demonstrated that the observed band structures built on one- and three-quasiparticle states are reproduced reasonably well in the present work. Further, it is evident from the analysis of the projected wavefunctions that side-band in the low-spin regime is the normal γ-band built on the ground-state configuration. However, in the high-spin regime, the side band is shown to be highly mixed and ceases to be a γ-band. We provide a complete set of electromagnetic transition probabilities for the two bands and the experimental measurements are desirable to test the predictions of the present work.

  17. Two-dimensional microwave band-gap structures of different dielectric materials

    Indian Academy of Sciences (India)

    E D V Nagesh; G Santosh Babu; V Subramanian; V Sivasubramanian; V R K Murthy

    2005-12-01

    We report the use of low dielectric constant materials to form two-dimensional microwave band-gap structures for achieving high gap-to-midgap ratio. The variable parameters chosen are the lattice spacing and the geometric structure. The selected geometries are square and triangular and the materials chosen are PTFE ( = 2.1), PVC ( = 2.38) and glass ( = 5.5). Using the plane-wave expansion method, proper lattice spacing is selected for each structure and material. The observed experimental results are analyzed with the help of the theoretical prediction.

  18. Demonstration of molecular beam epitaxy and a semiconducting band structure for I-Mn-V compounds

    International Nuclear Information System (INIS)

    Our ab initio theory calculations predict a semiconducting band structure of I-Mn-V compounds. We demonstrate on LiMnAs that high-quality materials with group-I alkali metals in the crystal structure can be grown by molecular beam epitaxy. Optical measurements on the LiMnAs epilayers are consistent with the theoretical electronic structure. Our calculations also reproduce earlier reports of high antiferromagnetic ordering temperature and predict large, spin-orbit-coupling-induced magnetic anisotropy effects. We propose a strategy for employing antiferromagnetic semiconductors in high-temperature semiconductor spintronics.

  19. Comparison of multi-band period-luminosity relations for classical Cepheids in the Magellanic Clouds

    Science.gov (United States)

    Ngeow, Chow-Choong; Kanbur, Shashi M.

    2016-07-01

    The period-luminosity (PL) relation for classical fundamental mode Cepheids (hereafter Cepheids) is an important astrophysical tool in distance scale applications. Because of this, we initiated a program to derive multi-band PL relations with Cepheids in the Large and Small Magellanic Cloud (hereafter LMC and SMC, respectively), as there are ∼⃒ 103 Cepheids found in these two nearby galaxies. When compared the slopes of the multi-band PL relations for Cepheids in the LMC and SMC, we found that these PL slopes agree with each others except in the V and J band. We also found an excellent agreement of the PL slopes in Wesenheit function, hence we calibrated the Period-Wesenheit (PW) relation by combining the data from both Clouds, together with an accurate LMC distance based on measurement from late-type eclipsing binaries. Our calibrated Wesenheit function is MW = — 3.314 log(P) — 2.601.

  20. Comparison of shear banding in BMGs due to thermal-softening and free volume creation

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    This paper reports a comparative study of shear banding in BMGs resulting from thermal softening and free volume creation. Firstly,the effects of thermal softening and free volume creation on shear instability are discussed. It is known that ther-mal softening governs thermal shear banding,hence it is essentially energy related. However,compound free volume creation is the key factor to the other instability,though void-induced softening seems to be the counterpart of thermal softening. So,the driving force for shear instability owing to free volume creation is very dif-ferent from the thermally assisted one. In particular,long wave perturbations are always unstable owing to compound free volume creation. Therefore,the shear instability resulting from coupled compound free volume creation and thermal softening may start more like that due to free volume creation. Also,the compound free volume creation implies a specific and intrinsic characteristic growth time of shear instability. Finally,the mature shear band width is governed by the corre-sponding diffusions (thermal or void diffusion) within the band. As a rough guide,the dimensionless numbers: Thermal softening related number B,Deborah number (denoting the relation of instability growth rate owing to compound free volume and loading time) and Lewis number (denoting the competition of different diffusions) show us their relative importance of thermal softening and free volume creation in shear banding. All these results are of particular significance in understanding the mechanism of shear banding in bulk metallic glasses (BMGs).

  1. Narrow-band spectral features of structured silver surface with rectangular resonant cavities

    International Nuclear Information System (INIS)

    This paper is aimed to investigate spectral properties of structured silver surface with periodic rectangular hollow cavities. Numerical computation is conducted to obtain spectral distribution of surface absorptance with different structural parameters using the finite-difference time-domain (FDTD) method. By means of numerical examples, the effects of structural parameters, incident angle and azimuthal angle on the spectral features of the structured surface are discussed. It is found that the structured surface shows the characteristics of the peak absorption in the vicinity of resonant wavelength of rectangular cavity. For some special structure parameters, the peak absorptance of the incident plane wave can reach as high as above 80% due to the excitation of microcavity effect. The optimal narrow-band absorption can be achieved by the rational design of the structural parameters of rectangular cavity. The directional dependence of spectral absorptance is also analyzed and the results reveal that the absorption peak positions are incident-angle-independent. The results show that the microscaled rectangular cavities fabricated on the low-emissivity silver surface are very efficient for selective improvement of the radiative features, which provides guidance for the design of narrow-band infrared thermal emitters.

  2. Band structures of a dipolar Bose-Einstein condensate in one-dimensional lattices

    Science.gov (United States)

    Lin, Yuanyao; Lee, Ray-Kuang; Kao, Yee-Mou; Jiang, Tsin-Fu

    2008-08-01

    We derive the effective Gross-Pitaevskii equation for a cigar-shaped dipolar Bose-Einstein condensate in one-dimensional lattices and investigate the band structures numerically. Due to the anisotropic and the long-ranged dipole-dipole interaction in addition to the known contact interaction, we elucidate the possibility of modifying the band structures by changing the alignment of the dipoles with the axial direction. With the considerations of the transverse parts and the practical physical parameters of a cigar-shaped trap, we show the possibility to stabilize an attractive condensate simply by adjusting the orientation angle of dipoles. Some interesting Bloch waves at several particle current densities are identified for possible experimental observations.

  3. Review and prospects of magnonic crystals and devices with reprogrammable band structure.

    Science.gov (United States)

    Krawczyk, M; Grundler, D

    2014-03-26

    Research efforts addressing spin waves (magnons) in microand nanostructured ferromagnetic materials have increased tremendously in recent years. Corresponding experimental and theoretical work in magnonics faces significant challenges in that spinwave dispersion relations are highly anisotropic and different magnetic states might be realized via, for example, the magnetic field history. At the same time, these features offer novel opportunities for wave control in solids going beyond photonics and plasmonics. In this topical review we address materials with a periodic modulation of magnetic parameters that give rise to artificially tailored band structures and allow unprecedented control of spin waves. In particular, we discuss recent achievements and perspectives of reconfigurable magnonic devices for which band structures can be reprogrammed during operation. Such characteristics might be useful for multifunctional microwave and logic devices operating over a broad frequency regime on either the macroor nanoscale. PMID:24599025

  4. Band gap and chemically ordered domain structure of a graphene analogue BCN

    Science.gov (United States)

    Venu, K.; Kanuri, S.; Raidongia, K.; Hembram, K. P. S. S.; Waghmare, U. V.; Datta, R.

    2010-12-01

    Chemically synthesized few layer graphene analogues of B xC yN z are characterized by aberration corrected transmission electron microscopy and high resolution electron energy loss spectroscopy (HREELS) to determine the local phase, electronic structure and band gap. HREELS band gap studies of a B xC yN z composition reveal absorption edges at 2.08, 3.43 and 6.01 eV, indicating that the B xC yN z structure may consist of domains of different compositions. The K-absorption edge energy position of the individual elements in B xC yN z is determined and compared with h-BN and graphite. An understanding of these experimental findings is developed with complementary first-principles based calculations of the various ordered configurations of B xC yN z.

  5. Deformed configurations, band structures and spectroscopic properties of = 50 Ge and Se nuclei

    Indian Academy of Sciences (India)

    S K Ghorui; C R Praharaj

    2014-04-01

    The deformed configurations and rotational band structures in =50 Ge and Se nuclei are studied by deformed Hartree–Fock with quadrupole constraint and angular momentum projection. Apart from the `almost’ spherical HF solution, a well-deformed configuration occurs at low excitation. A deformed well-mixed = 1/2+ neutron orbit comes down in energy (from the shell above = 50) to break the = 50 spherical shell closure. A = 7− isomer is predicted in 84Se at fairly low excitation energy. At higher excitation energies (8 MeV), a deformed band with = 7/2+–1/2− (based on $h_{11/2}$) neutron 1p–1h excitation, for 82Ge and 84Se, is shown in our calculation. Our study gives insight into possible deformed structures at spherical shell closure.

  6. Band structure of topological insulators from noise measurements in tunnel junctions

    International Nuclear Information System (INIS)

    The unique properties of spin-polarized surface or edge states in topological insulators (TIs) make these quantum coherent systems interesting from the point of view of both fundamental physics and their implementation in low power spintronic devices. Here we present such a study in TIs, through tunneling and noise spectroscopy utilizing TI/Al2O3/Co tunnel junctions with bottom TI electrodes of either Bi2Te3 or Bi2Se3. We demonstrate that features related to the band structure of the TI materials show up in the tunneling conductance and even more clearly through low frequency noise measurements. The bias dependence of 1/f noise reveals peaks at specific energies corresponding to band structure features of the TI. TI tunnel junctions could thus simplify the study of the properties of such quantum coherent systems that can further lead to the manipulation of their spin-polarized properties for technological purposes

  7. Misguided phylogenetic comparisons using DGGE excised bands may contaminate public sequence databases.

    Science.gov (United States)

    Pylro, Victor Satler; Morais, Daniel Kumazawa; Kalks, Karlos Henrique Martins; Roesch, Luiz Fernando Wurdig; Hirsch, Penny R; Tótola, Marcos Rogério; Yotoko, Karla

    2016-07-01

    Controversy surrounding bacterial phylogenies has become one of the most important challenges for microbial ecology. Comparative analyses with nucleotide databases and phylogenetic reconstruction of the amplified 16S rRNA genes from DGGE (Denaturing Gradient Gel Electrophoresis) excised bands have been used by several researchers for the identification of organisms in complex samples. Here, we individually analyzed DGGE-excised 16S rRNA gene bands from 10 certified bacterial strains of different species, and demonstrated that this kind of approach can deliver erroneous outcomes to researchers, besides causing/emphasizing errors in public databases. PMID:27109483

  8. Photonic band gap structures of obliquely incident electromagnetic wave propagation in a one-dimension absorptive plasma photonic crystal

    International Nuclear Information System (INIS)

    The photonic band gap structures of obliquely incident electromagnetic waves propagating in a one-dimension plasma photonic crystal with collision have been studied on the basis of electromagnetic theory and transfer matrix approach. The dispersion relations for both the transverse electric wave case and the transverse magnetic wave case are deduced. And the photonic band gap structures, with their function dependence on the microplasma layer density, microplasma width, collision frequency, background material dielectric constant, and incident angle, are computed. The results show that there exist two photonic band gap structures in an adsorptive plasma photonic crystal: one is a normal photonic band gap structure and the other is an absorption photonic band gap structure. Parameter dependence of the effects is calculated and discussed.

  9. The comparison of elastic band and B-Spline polynomials methods in smoothing process of collisionfree robot trajectory

    Directory of Open Access Journals (Sweden)

    D. Reclik

    2008-08-01

    approach, which describes the comparison between elastic band and B-Spline polynomials methods in collision-free robot trajectory.

  10. Dipole Emission In Finite Photonic Band-Gap Structures an Exactly Solvable One-Dimensional Model

    CERN Document Server

    Dowling, J P

    1999-01-01

    I consider an exact model of atomic spontaneous dipole emission and classical dipole radiation in a finite photonic band-gap structure. The full 3D or 2D problem is reduced to a finite 1D model, and then this is solved for analytically using algebraic matrix transfer techniques. The results give insight to the electromagnetic emission process in periodic dielectrics, quantitative predictions for emission in 1D dielectric stacks, and qualitative formulas for the 2D and 3D problem.

  11. Robust topology optimization of three-dimensional photonic-crystal band-gap structures

    OpenAIRE

    Men, Han; Lee, Karen Y. K.; Freund, Robert M.; Peraire, Jaime; Johnson, Steven G.

    2014-01-01

    We perform full 3D topology optimization (in which "every voxel" of the unit cell is a degree of freedom) of photonic-crystal structures in order to find optimal omnidirectional band gaps for various symmetry groups, including fcc (including diamond), bcc, and simple-cubic lattices. Even without imposing the constraints of any fabrication process, the resulting optimal gaps are only slightly larger than previous hand designs, suggesting that current photonic crystals are nearly optimal in thi...

  12. Theoretical analysis of electronic band structure of 2- to 3-nm Si nanocrystals

    Czech Academy of Sciences Publication Activity Database

    Hapala, Prokop; Kůsová, Kateřina; Pelant, Ivan; Jelínek, Pavel

    2013-01-01

    Roč. 87, č. 19 (2013), "195420-1"-"195420-13". ISSN 1098-0121 R&D Projects: GA ČR GD202/09/H041; GA ČR(CZ) GBP108/12/G108 Grant ostatní: AVČR(CZ) M100101207 Institutional support: RVO:68378271 Keywords : Si nanoparticles * electronic band structure * nanoparticles * luminescence Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013

  13. Transverse properties of entanged two-photon states generated in nonlinear photonic-band-gap structures

    Czech Academy of Sciences Publication Activity Database

    Peřina ml., Jan; Centini, M.; Sibilia, C.; Bertolotti, M.; Scalora, M.

    Washington : Optical Society of America, 2008 - (Bigelow, E.; Stroud, Jr., J.), s. 312-313 ISBN 978-1-55752-851-3. [Rochester Conference on Coherence on Quantum Optics /9./ (CQO9). Rochester (US), 10.06.2007-13.06.2007] R&D Projects: GA MŠk(CZ) 1M06002 Institutional research plan: CEZ:AV0Z10100522 Keywords : two-photon states * nonlinear photonic-band-gap structures Subject RIV: BH - Optics, Masers, Lasers

  14. Band structures tunability of bulk 2D phononic crystals made of magneto-elastic materials

    Directory of Open Access Journals (Sweden)

    J. O. Vasseur

    2011-12-01

    Full Text Available The feasibility of contactless tunability of the band structure of two-dimensional phononic crystals is demonstrated by employing magnetostrictive materials and applying an external magnetic field. The influence of the amplitude and of the orientation with respect to the inclusion axis of the applied magnetic field are studied in details. Applications to tunable selective frequency filters with switching functionnality and to reconfigurable wave-guides and demultiplexing devices are then discussed.

  15. Band structure of thin films by the linear augmented-plane-wave method

    DEFF Research Database (Denmark)

    Jepsen, O.; Madsen, J.; Andersen, Ole Krogh

    1978-01-01

    We present a linear augmented-plane-wave method for solving the band-structure problem in thin crystalline films. The potential is separated into a muffin-tin potential inside the film, a potential depending exclusively on the normal coordinate outside the film, and corrections in both regions. The...... method is tested on (100) and (111) monolayers of Cu using a standard muffin-tin potential....

  16. Band Structure Calculation of MnxCoyFe3-x-yO4

    OpenAIRE

    Rosenson, A.; Tailhades, Ph.

    1997-01-01

    Electronic band structure of MnxCoyFe3-x-yO4 has been calculated in high symmetrical points and lines of the first Brillouin zone within the scope one-electron quasirelativistic pseudopotential approach. Atomic potential form-factors have been calculated in accordance with modified LCAO method. Dependence of energy gap Eg=Eg(x,y) against Mn, Co and Fe concentrations is calculated and presented.

  17. Robust topology optimization of three-dimensional photonic-crystal band-gap structures.

    Science.gov (United States)

    Men, H; Lee, K Y K; Freund, R M; Peraire, J; Johnson, S G

    2014-09-22

    We perform full 3D topology optimization (in which "every voxel" of the unit cell is a degree of freedom) of photonic-crystal structures in order to find optimal omnidirectional band gaps for various symmetry groups, including fcc (including diamond), bcc, and simple-cubic lattices. Even without imposing the constraints of any fabrication process, the resulting optimal gaps are only slightly larger than previous hand designs, suggesting that current photonic crystals are nearly optimal in this respect. However, optimization can discover new structures, e.g. a new fcc structure with the same symmetry but slightly larger gap than the well known inverse opal, which may offer new degrees of freedom to future fabrication technologies. Furthermore, our band-gap optimization is an illustration of a computational approach to 3D dispersion engineering which is applicable to many other problems in optics, based on a novel semidefinite-program formulation for nonconvex eigenvalue optimization combined with other techniques such as a simple approach to impose symmetry constraints. We also demonstrate a technique for robust topology optimization, in which some uncertainty is included in each voxel and we optimize the worst-case gap, and we show that the resulting band gaps have increased robustness to systematic fabrication errors. PMID:25321732

  18. Comparison of CONDOR, FCI and MAFIA Calculations for a 150MW S-Band Klystron with Measurements

    Energy Technology Data Exchange (ETDEWEB)

    Sprehn, Daryl W

    2003-06-11

    To facilitate the design of high power klystrons an investigation into the reliability and accuracy of three modern particle-in-cell codes was performed. A 150 MW S-band klystron for which measurements were available was used for this comparison. The field calculations of the particle-in-cell codes are based on a finite difference time domain scheme, and use a port approximation to speed up the convergence to steady state. However, they differ in many details (e.g. calculation of E, B or A, {psi}; space charge correction; 2D or 3D modeling of output cavity).

  19. Temperature-dependent band structure of Hg1-xZnxTe-CdTe superlattices

    Science.gov (United States)

    Manassès, J.; Guldner, Y.; Vieren, J. P.; Voos, M.; Faurie, J. P.

    1991-12-01

    We present transport and far-infrared magneto-optical measurements in narrow-band-gap n-type Hg1-xZnxTe-CdTe superlattices. Hall and conductivity data obtained over a broad temperature range (1.5-300 K) show that these superlattices are semimetallic at low temperature and are degenerate intrinsic semiconductors for T>100 K, which constitutes an interesting situation in semiconductor-superlattice physics. The analysis of the data gives the Fermi energy as well as the temperature-dependent band gap, in good agreement with the calculated band structure, which predicts a semimetal-semiconductor transition induced by temperature in these heterostructures. We have measured the electron cyclotron resonances as a function of temperature with the magnetic field B applied parallel and perpendicular to the growth axis. The observed magneto-optical intraband transitions are in very satisfactory agreement with the calculated Landau levels and the Fermi energy. We show that the semimetal-semiconductor transition is characterized by an important reduction of the cyclotron mass measured with B perpendicular to the superlattice growth axis. The large variation of the conduction-band anisotropy calculated near the transition accounts for this effect.

  20. Hyper-Temporal C-Band SAR for Baseline Woody Structural Assessments in Deciduous Savannas

    Directory of Open Access Journals (Sweden)

    Russell Main

    2016-08-01

    Full Text Available Savanna ecosystems and their woody vegetation provide valuable resources and ecosystem services. Locally calibrated and cost effective estimates of these resources are required in order to satisfy commitments to monitor and manage change within them. Baseline maps of woody resources are important for analyzing change over time. Freely available, and highly repetitive, C-band data has the potential to be a viable alternative to high-resolution commercial SAR imagery (e.g., RADARSAT-2, ALOS2 in generating large-scale woody resources maps. Using airborne LiDAR as calibration, we investigated the relationships between hyper-temporal C-band ASAR data and woody structural parameters, namely total canopy cover (TCC and total canopy volume (TCV, in a deciduous savanna environment. Results showed that: the temporal filter reduced image variance; the random forest model out-performed the linear model; while the TCV metric consistently showed marginally higher accuracies than the TCC metric. Combinations of between 6 and 10 images could produce results comparable to high resolution commercial (C- & L-band SAR imagery. The approach showed promise for producing a regional scale, locally calibrated, baseline maps for the management of deciduous savanna resources, and lay a foundation for monitoring using time series of data from newer C-band SAR sensors (e.g., Sentinel1.

  1. Structural Analysis of Char by Raman Spectroscopy: Improving Band Assignments through Computational Calculations from First Principles

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Matthew W.; Dallmeyer, Ian; Johnson, Timothy J.; Brauer, Carolyn S.; McEwen, Jean-Sabin; Espinal, Juan F.; Garcia-Perez, Manuel

    2016-04-01

    Raman spectroscopy is a powerful tool for the characterization of many carbon 27 species. The complex heterogeneous nature of chars and activated carbons has confounded 28 complete analysis due to the additional shoulders observed on the D-band and high intensity 29 valley between the D and G-bands. In this paper the effects of various vacancy and substitution 30 defects have been systematically analyzed via molecular modeling using density functional 31 theory (DFT) and how this is manifested in the calculated gas-phase Raman spectra. The 32 accuracy of these calculations was validated by comparison with (solid-phase) experimental 33 spectra, with a small correction factor being applied to improve the accuracy of frequency 34 predictions. The spectroscopic effects on the char species are best understood in terms of a 35 reduced symmetry as compared to a “parent” coronene molecule. Based upon the simulation 36 results, the shoulder observed in chars near 1200 cm-1 has been assigned to the totally symmetric 37 A1g vibrations of various small polyaromatic hydrocarbons (PAH) as well as those containing 38 rings of seven or more carbons. Intensity between 1400 cm-1 and 1450 cm-1 is assigned to A1g 39 type vibrations present in small PAHs and especially those containing cyclopentane rings. 40 Finally, band intensity between 1500 cm-1 and 1550 cm-1 is ascribed to predominately E2g 41 vibrational modes in strained PAH systems. A total of ten potential bands have been assigned 42 between 1000 cm-1 and 1800 cm-1. These fitting parameters have been used to deconvolute a 43 thermoseries of cellulose chars produced by pyrolysis at 300-700 °C. The results of the 44 deconvolution show consistent growth of PAH clusters with temperature, development of non-45 benzyl rings as temperature increases and loss of oxygenated features between 400 °C and 46 600 °C

  2. van der Waals epitaxy of monolayer hexagonal boron nitride on copper foil: growth, crystallography and electronic band structure

    Science.gov (United States)

    Wood, Grace E.; Marsden, Alexander J.; Mudd, James J.; Walker, Marc; Asensio, Maria; Avila, Jose; Chen, Kai; Bell, Gavin R.; Wilson, Neil R.

    2015-06-01

    We investigate the growth of hexagonal boron nitride (h-BN) on copper foil by low pressure chemical vapour deposition (LP-CVD). At low pressure, h-BN growth proceeds through the nucleation and growth of triangular islands. Comparison between the orientation of the islands and the local crystallographic orientation of the polycrystalline copper foil reveals an epitaxial relation between the copper and h-BN, even on Cu(100) and Cu(110) regions whose symmetry is not matched to the h-BN. However, the growth rate is faster and the islands more uniformly oriented on Cu(111) grains. Angle resolved photoemission spectroscopy measurements reveal a well-defined band structure for the h-BN, consistent with a band gap of 6 eV, that is decoupled from the copper surface beneath. These results indicate that, despite a weak interaction between h-BN and copper, van der Waals epitaxy defines the long range ordering of h-BN even on polycrystalline copper foils and suggest that large area, single crystal, monolayer h-BN could be readily and cheaply produced.

  3. The systematics study of power law parameters of γ-band and comparison with ground state band for medium mass region

    International Nuclear Information System (INIS)

    Here, the coefficients and indices of the different spins are obtained using equation after subtracting band head difference E(2+2). The 'a' and 'b' parameters of γ-band and ground band nuclei are compared for 156Gd, 156,162-164Dy, 162-170Er, 178Hf and 186Pt. These nuclei are having the energies in γ-band up to spin Iπ = 10+

  4. Weakly nonlinear dispersion and stop-band effects for periodic structures

    DEFF Research Database (Denmark)

    Sorokin, Vladislav; Thomsen, Jon Juel

    frequency band-gaps, i.e. frequency ranges in which elastic waves cannot propagate. Most existing analytical methods in the field are based on Floquet theory [1]; e.g. this holds for the classical Hill’s method of infinite determinants [1,2], and themethod of space-harmonics [3]. However, application of...... these methods for studying nonlinear problems isimpossible or cumbersome, since Floquet theory is applicable only for linear systems. Thus the nonlinear effects for periodic structures are not yet fully uncovered, while at the same time applications may demand effects of nonlinearity on structural...... response to be accounted for.The paper deals with analytically predicting dynamic response for nonlinear elastic structures with a continuous periodic variation in structural properties. Specifically, for a Bernoulli-Euler beam with aspatially continuous modulation of structural properties in the axial...

  5. Fabrication of the CERN/PSI/ST X-Band accelerating structures

    CERN Document Server

    Dehler, Micha; Gudkov, Dmitry; Lebet, Serge; Riddone, Germana; Shi, Jiaru; Citterio, Alessandro; Zennaro, Riccardo; D'Auria, Gerardo; Serpico, Claudio

    2011-01-01

    In a collaboration between CERN, PSI and Sincrotrone Trieste (ST), a multi- purpose X-band accelerating structure has been designed and fabricated, used for high gradients tests in the CLIC structure testing program and in the FEL projects of PSI and ST. The structure has 72 cells with a phase advance of 5 pi/6 and includes upstream and down-stream wakefield monitors to measure the beam alignment. The SLAC mode launcher design is used to feed it with RF power. Following the CERN fabrication procedures for high-gradient structure, diffusion bonding and brazing in hydrogen atmosphere is used to assemble the cells. After tuning, a vacuum bakeout is required before the feedthroughs for the wake field monitors are welded in as a last step. We describe the experiences gained in finishing the first two structures out of a series of four and present the results from the RF tuning and low level RF tests.

  6. Influence of the sequence on the ab initio band structures of single and double stranded DNA models

    International Nuclear Information System (INIS)

    The solid state physical approach is widely used for the characterization of electronic properties of DNA. In the simplest case the helical symmetry is explicitly utilized with a repeat unit containing only a single nucleotide or nucleotide pair. This model provides a band structure that is easily interpretable and reflects the main characteristic features of the single nucleotide or a nucleotide pair chain, respectively. The chemical variability of the different DNA chains is, however, almost completely neglected in this way. In the present work we have investigated the effect of the different sequences on the band structure of periodic DNA models. For this purpose we have applied the Hartree–Fock crystal orbital method for single and double stranded DNA chains with two different subsequent nucleotides in the repeat unit of former and two different nucleotide pairs in the latter case, respectively. These results are compared to simple helical models with uniform sequences. The valence and conduction bands related to the stacked nucleotide bases of single stranded DNA built up only from guanidine as well as of double stranded DNA built up only from guanidine–cytidine pairs showed special properties different from the other cases. Namely, they had higher conduction and lower valence band positions and this way larger band gaps and smaller widths of these bands. With the introduction of non-uniform guanidine containing sequences band structures became more similar to each other and to the band structures of other sequences without guanidine. The maximal bandwidths of the non-uniform sequences are considerably smaller than in the case of uniform sequences implying smaller charge carrier mobilities both in the conduction and valence bands. - Highlights: • HF Energy bands in DNA. • The role of aperiodicity in the DNA band structure. • Hole mobilities in quasi-periodic DNA with broader valence bands

  7. Quasiparticle band structure for the Hubbard systems: Application to. alpha. -CeAl sub 2

    Energy Technology Data Exchange (ETDEWEB)

    Costa-Quintana, J.; Lopez-Aguilar, F. (Departamento de Fisica, Grupo de Electromagnetismo, Universidad Autonoma de Barcelona, Bellaterra, E-08193 Barcelona, Spain (ES)); Balle, S. (Departament de Fisica, Universitat de les Illes Balears, E-07071 Palma de Mallorca, Spain (ES)); Salvador, R. (Control Data Corporation, TALLAHASSEE, FL (USA) Supercomputer Computations Research Institute, Florida State University, Tallahassee, Florida 32306-4052 (USA))

    1990-04-01

    A self-energy formalism for determining the quasiparticle band structure of the Hubbard systems is deduced. The self-energy is obtained from the dynamically screened Coulomb interaction whose bare value is the correlation energy {ital U}. A method for integrating the Schroedingerlike equation with the self-energy operator is given. The method is applied to the cubic Laves phase of {alpha}-CeAl{sub 2} because it is a clear Hubbard system with a very complex electronic structure and, moreover, this system provides us with sufficient experimental data for testing our method.

  8. Manifestation of Structure of Electron Bands in Double-Resonant Raman Spectra of Single-Walled Carbon Nanotubes.

    Science.gov (United States)

    Stubrov, Yurii; Nikolenko, Andrii; Gubanov, Viktor; Strelchuk, Viktor

    2016-12-01

    Micro-Raman spectra of single-walled carbon nanotubes in the range of two-phonon 2D bands are investigated in detail. The fine structure of two-phonon 2D bands in the low-temperature Raman spectra of the mixture and individual single-walled carbon nanotubes is considered as the reflection of structure of their π-electron zones. The dispersion behavior of 2D band fine structure components in the resonant Raman spectra of single-walled carbon nanotube mixture is studied depending on the energy of excitating photons. The role of incoming and outgoing electron-phonon resonances in the formation of 2D band fine structure in Raman spectra of single-walled carbon nanotubes is analyzed. The similarity of dispersion behavior of 2D phonon bands in single-walled carbon nanotubes, one-layer graphene, and bulk graphite is discussed. PMID:26729220

  9. Demonstration of a 17-GHz, High-Gradient Accelerator with a Photonic-Band-Gap Structure

    International Nuclear Information System (INIS)

    We report the testing of a high gradient electron accelerator with a photonic-band-gap (PBG) structure. The photonic-band-gap structure confines a fundamental TM01-like accelerating mode, but does not support higher-order modes (HOM). The absence of HOM is a major advantage of the PBG accelerator, since it suppresses dangerous beam instabilities caused by wakefields. The PBG structure was designed as a triangular lattice of metal rods with a missing central rod forming a defect confining the TM01-like mode and allowing the electron beam to propagate along the axis. The design frequency of the six-cell structure was 17.14 GHz. The PBG structure was excited by 2 MW, 100 ns pulses. A 16.5 MeV electron beam was transmitted through the PBG accelerator. The observed electron beam energy gain of 1.4 MeV corresponds to an accelerating gradient of 35 MV/m, in excellent agreement with theory

  10. Comparison between formulas of rotational band for axially symmetric deformed nuclei

    Institute of Scientific and Technical Information of China (English)

    WU Xi; LEI Yi-An

    2008-01-01

    The experimental rotational spectra of the deformed nuclei available in even-even and odd-A nuclei in the rare-earth and actinide regions are systematically analyzed with several rotational spectra formulas,including Bohr-Mottelson's I(I+l)-expansion,Harris'w2-expansion,ab and abc formulas.It is shown that the simple 2-parameter ab formula is much better than the widely used 2-parameter Bohr-Mottelson's AB formula and Harris'αβ formula.The available data of the rotational spectra of both ground-state band in even-even nuclei and one-quaasiparticle band in odd-A nuclei can be conveniently and rather accurately reproduced by ab formula and abc formula.The moment of inertia and the variation with rotational frequency of angular momentum can be satisfactorily reproduced by ab and abc formulas.

  11. Nitric oxide delta band emission in the earth's atmosphere - Comparison of a measurement and a theory

    Science.gov (United States)

    Rusch, D. W.; Sharp, W. E.

    1981-01-01

    Attention is given to the altitude dependent emission rate in the delta-bands of nitric oxide as measured in the earth's atmosphere at night by a scanning ultraviolet spectrometer. It is noted that the reaction responsible is the two-body association of nitrogen and oxygen atoms. The measurements show a vertical intensity beneath the layer for the delta-band system of 19 R. The horizontal emission rate is found to increase from 70 R at 117 km to 140 R at 150 km. The data are analyzed with a one-dimensional, time-dependent, vertical-transport model of odd nitrogen photochemistry. The calculated and measured intensities agree so long as the quenching of N(2D) by atomic oxygen is near 5 x 10 to the -13 cu cm/sec.

  12. A novel band-pass filter based on a periodically drilled SIW structure

    Science.gov (United States)

    Coves, A.; Torregrosa-Penalva, G.; San-Blas, A. A.; Sánchez-Soriano, M. A.; Martellosio, A.; Bronchalo, E.; Bozzi, M.

    2016-04-01

    The design and fabrication of a band-pass step impedance filter based on high and low dielectric constant sections has been realized on substrate integrated waveguide (SIW) technology. The overall process includes the design of the ideal band-pass prototype filter, where the implementation of the impedance inverters has been carried out by means of waveguide sections of lower permittivity. This can be practically achieved by implementing arrays of air holes along the waveguide. Several SIW structures with and without arrays of air holes have been simulated and fabricated in order to experimentally evaluate their relative permittivity. Additionally, the equivalent filter in SIW technology has been designed and optimized. Finally, a prototype of the designed filter has been fabricated and measured, showing a good agreement between measurements and simulations, which demonstrates the validity of the proposed design approach.

  13. The band structure of carbonmonoxide on 2-D Au islands on graphene

    KAUST Repository

    Katsiev, Khabiboulakh

    2014-06-01

    The dispersion of the occupied molecular orbitals of carbon monoxide adsorbed on Au 2D islands, vapor-deposited on graphene/Ru(0 0 0 1), is seen to be wave vector dependent, as revealed by angle-resolved photoemission. The band dispersion is similar to CO monolayers adsorbed on many single crystal metal surfaces. Thus not only are the adsorbed gold islands on graphene flat and crystalline, as evident in the dispersion of the Au d-states, but the CO molecular adlayer is both molecular and ordered as well. The experimental angle-resolved photoemission combined with model calculations of the occupied CO band structure, suggest that, in spite of being a very weakly bound adsorbate, the CO adlayer on Au 2D islands on graphene is strongly hybridized to the Au layer. . © 2014 Elsevier B.V. All rights reserved.

  14. Impurity effects on the band structure of one-dimensional photonic crystals: experiment and theory

    International Nuclear Information System (INIS)

    We study the effects of single impurities on the transmission in microwave realizations of the photonic Kronig-Penney model, consisting of arrays of Teflon pieces alternating with air spacings in a microwave guide. As only the first propagating mode is considered, the system is essentially one-dimensional (1D) obeying the Helmholtz equation. We derive analytical closed form expressions from which the band structure, frequency of defect modes and band profiles can be determined. These agree very well with experimental data for all types of single defects considered (e.g. interstitial and substitutional) and show that our experimental set-up serves to explore some of the phenomena occurring in more sophisticated experiments. Conversely, based on the understanding provided by our formulae, information about the unknown impurity can be determined by simply observing certain features in the experimental data for the transmission. Further, our results are directly applicable to the closely related quantum 1D Kronig-Penney model

  15. Soret band porphyrin structure index via 3rd derivative UV/VIS spectroscopy

    International Nuclear Information System (INIS)

    This paper reports on Soret band wavelength which provides a porphyrin structure index which is useful to classify natural metalloporphyrin extracts. The approach involves rapid measurement by photodiode array spectrophotometry. The average value for a porphyrin mixture. λSoret ± 0.1 nm, is obtained by third derivative computation. A blue shift in λSoret implies an increasing etio to exocycle ratio. High ratios have been associated with catagenesis (Dydik, 1975, Baker, et al., 1978, 1983), and with predispositional generation (Baker and Louda (1984). As a reference, we measured the Soret band response to simulated maturation of a Woodford Shale (350 Ma) sample after hydrous pyrolysis (Lewan, 1981), as described in greater detail elsewhere at this meeting

  16. Impurity effects on the band structure of one-dimensional photonic crystals: Experiment and theory

    CERN Document Server

    Luna-Acosta, G A; Kuhl, U; Stoeckmann, H -J

    2007-01-01

    We study the effects of single impurities on the transmission in microwave realizations of the photonic Kronig-Penney model, consisting of arrays of Teflon pieces alternating with air spacings in a microwave guide. As only the first propagating mode is considered, the system is essentially one dimensional obeying the Helmholtz equation. We derive analytical closed form expressions from which the band structure, frequency of defect modes, and band profiles can be determined. These agree very well with experimental data for all types of single defects considered (e. g. interstitial, substitutional) and shows that our experimental set-up serves to explore some of the phenomena occurring in more sophisticated experiments. Conversely, based on the understanding provided by our formulas, information about the unknown impurity can be determined by simply observing certain features in the experimental data for the transmission. Further, our results are directly applicable to the closely related quantum 1D Kronig-Penn...

  17. Strain-tunable band parameters of ZnO monolayer in graphene-like honeycomb structure

    Science.gov (United States)

    Behera, Harihar; Mukhopadhyay, Gautam

    2012-10-01

    We present ab initio calculations which show that the direct-band-gap, effective masses and Fermi velocities of charge carriers in ZnO monolayer (ML-ZnO) in graphene-like honeycomb structure are all tunable by application of in-plane homogeneous biaxial strain. Within our simulated strain limit of ±10%, the band gap remains direct and shows a strong non-linear variation with strain. Moreover, the average Fermi velocity of electrons in unstrained ML-ZnO is of the same order of magnitude as that in graphene. The results promise potential applications of ML-ZnO in mechatronics/straintronics and other nano-devices such as the nano-electromechanical systems (NEMS) and nano-optomechanical systems (NOMS).

  18. HOM-Free Linear Accelerating Structure for e+ e- Linear Collider at C-Band

    CERN Document Server

    Kubo, K

    2003-01-01

    HOM-free linear acceleration structure using the choke mode cavity (damped cavity) is now under design for e sup + e sup - linear collider project at C-band frequency (5712 MHz). Since this structure shows powerful damping effect on most of all HOMs, there is no multibunch problem due to long range wakefields. The structure will be equipped with the microwave absorbers in each cells and also the in-line dummy load in the last few cells. The straightness tolerance for 1.8 m long structure is closer than 30 (micro)m for 25% emittance dilution limit, which can be achieved by standard machining and braising techniques. Since it has good vacuum pumping conductance through annular gaps in each cell, instabilities due to the interaction of beam with the residual-gas and ions can be minimized.

  19. Giant amplification in degenerate band edge slow-wave structures interacting with an electron beam

    Science.gov (United States)

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

    2016-03-01

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

  20. Evolution of band structures in MoS2-based homo- and heterobilayers

    International Nuclear Information System (INIS)

    Density functional theory calculations have been performed to elucidate the detailed evolution of band structures in MoS2-based homo- and heterobilayers. By constructing the energy-band alignments we observed that biaxial tensile and compressive strain in the constituent transition-metal dichalcogenide (TMD) monolayer shifts the states at the K C, Q C, and K V points down and up, respectively, while the states at the ΓV point are almost unaltered. In contrast, interlayer coupling tends to modify the states at the ΓV and Q C points by splitting the band-edge states of two strained or unstrained constituent TMD monolayers, while it does not affect the states at the K C and K V points. Considering the combined actions of strain and interlayer coupling, the relevant electronic parameters, especially the detailed evolution processes, of the band structures of the investigated bilayer systems can be clearly described. When further applying the extra biaxial strain to the three bilayer systems, it is found that energy differences ΔE(K C  −  Q C) and ΔE(K V  −  ΓV) decrease linearly as the increasing of the biaxial strain. According to the varying trends of ΔE(K C  −  Q C) and ΔE(K V  −  ΓV), MoS2 bilayer will maintain the indirect-bandgap character under any compressive or tensile strain. Differently, WS2/MoS2 heterobilayer transforms interestingly to the direct-bandgap material under the strain from  −1.6% to  −1.2% with the valence band maximum and conduction band minimum located at the K C and K V point respectively. The direct-to-indirect bandgap transition can be obtained for the WSe2/MoS2 heterobilayer when applying much larger extra tensile or compressive strain. The results offer an effective route to verify and tailor the electronic properties of TMD homo- and heterostructures and can be helpful in evaluating the performance of TMD-based electronic devices. (paper)

  1. Evolution of band structures in MoS2-based homo- and heterobilayers

    Science.gov (United States)

    Zhu, H. L.; Zhou, C. J.; Huang, X. J.; Wang, X. L.; Xu, H. Z.; Lin, Yong; Yang, W. H.; Wu, Y. P.; Lin, W.; Guo, F.

    2016-02-01

    Density functional theory calculations have been performed to elucidate the detailed evolution of band structures in MoS2-based homo- and heterobilayers. By constructing the energy-band alignments we observed that biaxial tensile and compressive strain in the constituent transition-metal dichalcogenide (TMD) monolayer shifts the states at the K C, Q C, and K V points down and up, respectively, while the states at the ΓV point are almost unaltered. In contrast, interlayer coupling tends to modify the states at the ΓV and Q C points by splitting the band-edge states of two strained or unstrained constituent TMD monolayers, while it does not affect the states at the K C and K V points. Considering the combined actions of strain and interlayer coupling, the relevant electronic parameters, especially the detailed evolution processes, of the band structures of the investigated bilayer systems can be clearly described. When further applying the extra biaxial strain to the three bilayer systems, it is found that energy differences ΔE(K C  -  Q C) and ΔE(K V  -  ΓV) decrease linearly as the increasing of the biaxial strain. According to the varying trends of ΔE(K C  -  Q C) and ΔE(K V  -  ΓV), MoS2 bilayer will maintain the indirect-bandgap character under any compressive or tensile strain. Differently, WS2/MoS2 heterobilayer transforms interestingly to the direct-bandgap material under the strain from  -1.6% to  -1.2% with the valence band maximum and conduction band minimum located at the K C and K V point respectively. The direct-to-indirect bandgap transition can be obtained for the WSe2/MoS2 heterobilayer when applying much larger extra tensile or compressive strain. The results offer an effective route to verify and tailor the electronic properties of TMD homo- and heterostructures and can be helpful in evaluating the performance of TMD-based electronic devices.

  2. Experimental high gradient testing of a 17.1 GHz photonic band-gap accelerator structure

    Science.gov (United States)

    Munroe, Brian J.; Zhang, JieXi; Xu, Haoran; Shapiro, Michael A.; Temkin, Richard J.

    2016-03-01

    We report the design, fabrication, and high gradient testing of a 17.1 GHz photonic band-gap (PBG) accelerator structure. Photonic band-gap (PBG) structures are promising candidates for electron accelerators capable of high-gradient operation because they have the inherent damping of high order modes required to avoid beam breakup instabilities. The 17.1 GHz PBG structure tested was a single cell structure composed of a triangular array of round copper rods of radius 1.45 mm spaced by 8.05 mm. The test assembly consisted of the test PBG cell located between conventional (pillbox) input and output cells, with input power of up to 4 MW from a klystron supplied via a TM01 mode launcher. Breakdown at high gradient was observed by diagnostics including reflected power, downstream and upstream current monitors and visible light emission. The testing procedure was first benchmarked with a conventional disc-loaded waveguide structure, which reached a gradient of 87 MV /m at a breakdown probability of 1.19 ×10-1 per pulse per meter. The PBG structure was tested with 100 ns pulses at gradient levels of less than 90 MV /m in order to limit the surface temperature rise to 120 K. The PBG structure reached up to 89 MV /m at a breakdown probability of 1.09 ×10-1 per pulse per meter. These test results show that a PBG structure can simultaneously operate at high gradients and low breakdown probability, while also providing wakefield damping.

  3. $^{16}$O + $^{16}$O molecular structures of positive- and negative-parity superdeformed bands in $^{34}$S

    CERN Document Server

    Taniguchi, Yasutaka

    2014-01-01

    The structures of excited states in $^{34}$S are investigated using the antisymmetrized molecular dynamics and generator coordinate method (GCM). The GCM basis wave functions are calculated via energy variation with a constraint on the quadrupole deformation parameter $\\beta$. By applying the GCM after parity and angular momentum projections, the coexistence of two positive- and one negative-parity superdeformed (SD) bands are predicted, and low-lying states and other deformed bands are obtained. The SD bands have structures of $^{16}$O + $^{16}$O + two valence neutrons in molecular orbitals around the two $^{16}$O cores in a cluster picture. The configurations of the two valence neutrons are $\\delta^2$ and $\\pi^2$ for the positive-parity SD bands and $\\pi^1\\delta^1$ for the negative-parity SD band. The structural changes of the yrast states are also discussed.

  4. A Reconfigurable Triple-Notch-Band Antenna Integrated with Defected Microstrip Structure Band-Stop Filter for Ultra-Wideband Cognitive Radio Applications

    Directory of Open Access Journals (Sweden)

    Yingsong Li

    2013-01-01

    Full Text Available A printed reconfigurable ultra-wideband (UWB monopole antenna with triple narrow band-notched characteristics is proposed for cognitive radio applications in this paper. The triple narrow band-notched frequencies are obtained using a defected microstrip structure (DMS band stop filter (BSF embedded in the microstrip feed line and an inverted π-shaped slot etched in the rectangular radiation patch, respectively. Reconfigurable characteristics of the proposed cognitive radio antenna (CRA are achieved by means of four ideal switches integrated on the DMS-BSF and the inverted π-shaped slot. The proposed UWB CRA can work at eight modes by controlling switches ON and OFF. Moreover, impedance bandwidth, design procedures, and radiation patterns are presented for analysis and explanation of this antenna. The designed antenna operates over the frequency band between 3.1 GHz and 14 GHz (bandwidth of 127.5%, with three notched bands from 4.2 GHz to 6.2 GHz (38.5%, 6.6 GHz to 7.0 GHz (6%, and 12.2 GHz to 14 GHz (13.7%. The antenna is successfully simulated, fabricated, and measured. The results show that it has wide impedance bandwidth, multimodes characteristics, stable gain, and omnidirectional radiation patterns.

  5. Unified description of rotational-, $\\gamma$-, and quasiparticle-band structures in neutron-rich mass $\\sim$ 110 region

    CERN Document Server

    Bhat, G H; Sun, Y; Palit, R

    2015-01-01

    Band structures of the neutron-rich Mo- and Ru-isotopes around A $\\sim $ 110 are investigated using the triaxial projected shell model (TPSM) approach employing multi-quasiparticle configuration space. The mass region under investigation depicts a rich variety of band structures with well developed $\\gamma$- and $\\gamma\\gamma$-bands, and quasiparticle excitations based on them. It is demonstrated that TPSM provides a reasonable description of most of the observed properties, in particular, detailed structure variations observed in Mo-isotopes are well reproduced in the present work.

  6. 8-band and 14-band kp modeling of electronic band structure and material gain in Ga(In)AsBi quantum wells grown on GaAs and InP substrates

    International Nuclear Information System (INIS)

    The electronic band structure and material gain have been calculated for GaAsBi/GaAs quantum wells (QWs) with various bismuth concentrations (Bi ≤ 15%) within the 8-band and 14-band kp models. The 14-band kp model was obtained by extending the standard 8-band kp Hamiltonian by the valence band anticrossing (VBAC) Hamiltonian, which is widely used to describe Bi-related changes in the electronic band structure of dilute bismides. It has been shown that in the range of low carrier concentrations n < 5 × 1018 cm−3, material gain spectra calculated within 8- and 14-band kp Hamiltonians are similar. It means that the 8-band kp model can be used to calculate material gain in dilute bismides QWs. Therefore, it can be applied to analyze QWs containing new dilute bismides for which the VBAC parameters are unknown. Thus, the energy gap and electron effective mass for Bi-containing materials are used instead of VBAC parameters. The electronic band structure and material gain have been calculated for 8 nm wide GaInAsBi QWs on GaAs and InP substrates with various compositions. In these QWs, Bi concentration was varied from 0% to 5% and indium concentration was tuned in order to keep the same compressive strain (ε = 2%) in QW region. For GaInAsBi/GaAs QW with 5% Bi, gain peak was determined to be at about 1.5 μm. It means that it can be possible to achieve emission at telecommunication windows (i.e., 1.3 μm and 1.55 μm) for GaAs-based lasers containing GaInAsBi/GaAs QWs. For GaInAsBi/Ga0.47In0.53As/InP QWs with 5% Bi, gain peak is predicted to be at about 4.0 μm, i.e., at the wavelengths that are not available in current InP-based lasers

  7. Comparison of Coordinated Satellite and Ground-based X-Band Radar Collections for the Retrieval of Snow Parameters

    Science.gov (United States)

    Deeb, E. J.; Marshall, H.; LeWinter, A. L.; Finnegan, D. C.; Deems, J. S.; Landry, C.

    2012-12-01

    In many regions of the world, snow is a major source of runoff contributing to human existence/sustenance, agriculture, and industry. The uncertainties in quantifying snow mass at both spatial and temporal scales have limited the vital management of this significant component to the global water cycle. With the sensitivity of radar backscatter to physical properties of snow at higher frequencies and the availability of high resolution commercial satellite imaging radars at X-Band frequencies (e.g. 9.6 GHz), snow experiments have been conducted to examine these relationships at finer spatial and temporal scales. For the past several winters, satellite radar acquisitions (at X-Band with co- and cross-polarizations) have been coordinated with ground-based radar collections within a well-instrumented southwestern Colorado basin exhibiting a wide range of snow conditions. Snow-free satellite radar collections (at X-Band with the same viewing geometry) have also been acquired to separate the backscatter contributions of the snow volume from the underlying background target. Ancillary data sets including ground-based LiDAR-derived snow depths and scientific snow pit sampling are also incorporated into the analysis. Despite the fact that it may not be possible to retrieve snow water equivalent from multi-polarization X-Band frequency alone, preliminary results of these comparisons are shown where the ground-based radar transects overlap the satellite radar coverage. Snow parameters such as saturated surface or internal snow layers, snow surface and stratigraphic roughness, and grain size variations may be of particular interest.

  8. Determination of the valence band structure of an alkali phosphorus oxynitride glass: A synchrotron XPS study on LiPON

    Energy Technology Data Exchange (ETDEWEB)

    Schwöbel, André, E-mail: aschwoebel@surface.tu-darmstadt.de [Technische Universität Darmstadt, Materials Science Department, Surface Science Division, Jovanka-Bontschits-Str. 2, 64287 Darmstadt (Germany); Precht, Ruben; Motzko, Markus; Carrillo Solano, Mercedes A. [Technische Universität Darmstadt, Materials Science Department, Surface Science Division, Jovanka-Bontschits-Str. 2, 64287 Darmstadt (Germany); Calvet, Wolfram [Helmholzzentrum Berlin GmbH, Solar Energy Research, Heterogeneous Materials Systems, Albert Einstein Straße 15, 12489 Berlin (Germany); Hausbrand, René; Jaegermann, Wolfram [Technische Universität Darmstadt, Materials Science Department, Surface Science Division, Jovanka-Bontschits-Str. 2, 64287 Darmstadt (Germany)

    2014-12-01

    Highlights: • In situ photoemission of LiPON solid Li-ion electrolyte. • We find that the valence band is similar to the known phosphates. • We find evidence for a resonance at the O1s edge shown by a Fano profile. • We find that the top of the valence band is due to N2p states. - Abstract: Lithium phosphorus oxynitride (LiPON) is a solid state electrolyte commonly used in thin film batteries (TFBs). Advanced TFBs face the issue of detrimental electrode–electrolyte interlayer formation, related to the electronic structure of the interface. In this contribution, we study the valence band structure of LiPON using resonant photoemission and synchrotron photoemission with variable excitation energies. The identification of different valence band features is done according to the known valence band features of meta- and orthophosphates. Additionally we compare our results with partial density of states simulations from literature. We find that the valence band structure is similar to the known metaphosphates with an additional contribution of nitrogen states at the top of the valence band. From the results we conclude that synchrotron X-ray photoemission (XPS) is a useful tool to study the valence band structure of nitridated alkali phosphate glasses.

  9. Determination of the valence band structure of an alkali phosphorus oxynitride glass: A synchrotron XPS study on LiPON

    International Nuclear Information System (INIS)

    Highlights: • In situ photoemission of LiPON solid Li-ion electrolyte. • We find that the valence band is similar to the known phosphates. • We find evidence for a resonance at the O1s edge shown by a Fano profile. • We find that the top of the valence band is due to N2p states. - Abstract: Lithium phosphorus oxynitride (LiPON) is a solid state electrolyte commonly used in thin film batteries (TFBs). Advanced TFBs face the issue of detrimental electrode–electrolyte interlayer formation, related to the electronic structure of the interface. In this contribution, we study the valence band structure of LiPON using resonant photoemission and synchrotron photoemission with variable excitation energies. The identification of different valence band features is done according to the known valence band features of meta- and orthophosphates. Additionally we compare our results with partial density of states simulations from literature. We find that the valence band structure is similar to the known metaphosphates with an additional contribution of nitrogen states at the top of the valence band. From the results we conclude that synchrotron X-ray photoemission (XPS) is a useful tool to study the valence band structure of nitridated alkali phosphate glasses

  10. Product fine-structure resolved photodissociation dynamics: The A band of H2O

    International Nuclear Information System (INIS)

    The photodissociation dynamics of H2O in its first absorption band is investigated on an accurate potential energy surface based on a large number of high-level ab initio points. Several ro-vibrational states of the parent molecule are considered. Different from most previous theoretical studies, the spin-orbit and Λ-doublet populations of the open-shell OH fragment are reported from full-dimensional wave packet calculations. The populations of the two spin-orbit manifolds are in most cases close to the statistical limit, but the Λ-doublet is dominated by the A″ component, thanks largely to the fast in-plane dissociation of H2O(A~1A′′). Comparisons with experimental data and a Franck-Condon model are generally very good, although some discrepancies exist

  11. Band structure effects in high energy ion beam surface interaction at grazing incidence

    Energy Technology Data Exchange (ETDEWEB)

    Winter, H.; Zimny, R.; Schirmacher, A.; Becker, B.; Andrae, H.J.; Froehling, R.

    1983-05-01

    The analysis of charge state distributions after the interaction of fast Li- and N-ions with a surface at grazing incidence at energies between 50 and 350 keV yields for Li a strongly suppressed and for N an enhanced fraction of neutrals in comparison to the beam-foil interaction. These findings are supported by corresponding alkali-spectra which are dominated by lines from transitions in singly ionized atoms. The experiments are consistently interpreted in terms of a two step model: (1) collisional excitation in the close vicinity of the surface and (2) modification of this population by resonant electron transfer from (to) non localized states in the conduction (valence) band to (from) the ion. The model is also applied to interpret recent beam-foil experiments where preferential populations of Rydberg levels in highly ionized atoms were found.

  12. Study of γ-vibrational band structures in 105Nb nucleus using triaxial projected shell model approach

    International Nuclear Information System (INIS)

    The study of band structures in terms of multiphonon gamma bands is an important topic in nuclear physics. The excitation at low spin region for proton rich nuclei is an important issue, but to understand the interaction of multiquasi particle excitation with gamma vibrational band, it is mandatory to study the high spin states. There are many important phenomena like nuclei with triaxially deformed (triaxial nuclei), shape coexistence are seems to be observed in this mass region. But with the increase in neutron number, the properties like triaxiality and the multiphonon γ vibrational bands are developed, as recently observed in neutron rich region i.e in Mo and Ru

  13. First-Principles Band Calculations on Electronic Structures of Ag-Doped Rutile and Anatase TiO2

    Institute of Scientific and Technical Information of China (English)

    HOU Xing-Gang; LIU An-Dong; HUANG Mei-Dong; LIAO Bin; WU Xiao-Ling

    2009-01-01

    The electronic structures of Ag-doped rutile and anatase TiO2 are studied by first-principles band calculations based on density funetionai theory with the full-potentiai linearized-augraented-plane-wave method.New occupied bands ore found between the band gaps of both Ag-doped rutile and anatase TiO2.The formation of these new bands Capri be explained mainly by their orbitals of Ag 4d states mixed with Ti 3d states and are supposed to contribute to their visible light absorption.

  14. Measuring large-scale structure with quasars in narrow-band filter surveys

    Science.gov (United States)

    Abramo, L. Raul; Strauss, Michael A.; Lima, Marcos; Hernández-Monteagudo, Carlos; Lazkoz, Ruth; Moles, Mariano; de Oliveira, Claudia Mendes; Sendra, Irene; Sodré, Laerte; Storchi-Bergmann, Thaisa

    2012-07-01

    We show that a large-area imaging survey using narrow-band filters could detect quasars in sufficiently high number densities, and with more than sufficient accuracy in their photometric redshifts, to turn them into suitable tracers of large-scale structure. If a narrow-band optical survey can detect objects as faint as i= 23, it could reach volumetric number densities as high as 10-4 h3 Mpc-3 (comoving) at z˜ 1.5. Such a catalogue would lead to precision measurements of the power spectrum up to z˜ 3-4. We also show that it is possible to employ quasars to measure baryon acoustic oscillations at high redshifts, where the uncertainties from redshift distortions and non-linearities are much smaller than at z≲ 1. As a concrete example we study the future impact of the Javalambre Physics of the Accelerating Universe Astrophysical Survey (J-PAS), which is a narrow-band imaging survey in the optical over 1/5 of the unobscured sky with 42 filters of ˜100-Å full width at half-maximum. We show that J-PAS will be able to take advantage of the broad emission lines of quasars to deliver excellent photometric redshifts, σz≃ 0.002 (1 +z), for millions of objects.

  15. Measuring large-scale structure with quasars in narrow-band filter surveys

    CERN Document Server

    Abramo, L Raul; Lima, Marcos; Hernández-Monteagudo, Carlos; Lazkoz, Ruth; Moles, Mariano; de Oliveira, Cláudia M; Sendra, Irene; Sodré, Laerte

    2011-01-01

    We show that a large-area imaging survey using narrow-band filters could detect quasars in sufficiently high number densities, and with more than sufficient accuracy in their photometric redshifts, to turn them into suitable tracers of large-scale structure. If a narrow-band optical survey can detect objects as faint as i=23, it could reach volumetric number densities as high as 10^{-4} h^3 Mpc^{-3} (comoving) at z~1.5 . Such a catalog would lead to precision measurements of the power spectrum up to z~3-4. We also show that it is possible to employ quasars to measure baryon acoustic oscillations at high redshifts, where the uncertainties from redshift distortions and nonlinearities are much smaller than at z<1. As a concrete example we study the future impact of J-PAS, which is a narrow-band imaging survey in the optical over 1/5 of the unobscured sky with 42 filters of ~100 A full-width at half-maximum. We show that J-PAS will be able to take advantage of the broad emission lines of quasars to deliver exc...

  16. Band structure and optical functions of K2ZnCl4 crystals in ferroelectric phase

    International Nuclear Information System (INIS)

    Band electronic structure (BS), density of states (DOS), and optical functions of K2ZnCl4 crystal for the orthorhombic space group of symmetry Pna21 corresponding to the ferroelectric phase (12 formula units in the crystallographic unit cell) have been calculated for the first time using the density functional theory based code VASP (Vienna Ab-initio Simulation Program). The valence-to-conduction band gap Eg of the crystal is found to be direct in the Γ-point of Brillouin zone. The effective masses m* have been calculated for the top valence and bottom conduction bands for different points and directions of Brillouin zone of the crystal and the results obtained have been analyzed. Peculiarities of the photon energy dependences n(E) and k(E) of refractive (n) and absorption (k) indices obtained in the range 0-28 eV have been identified on the basis of BS and DOS of the crystal. Calculated optical functions agree satisfactorily with the experimental data n(E) in the range of crystal's transparency, E < 5 eV.

  17. Novel semiconductor solar cell structures: The quantum dot intermediate band solar cell

    International Nuclear Information System (INIS)

    The Quantum Dot Intermediate Band Solar Cell (QD-IBSC) has been proposed for studying experimentally the operating principles of a generic class of photovoltaic devices, the intermediate band solar cells (IBSC). The performance of an IBSC is based on the properties of a semiconductor-like material which is characterised by the existence of an intermediate band (IB) located within what would otherwise be its conventional bandgap. The improvement in efficiency of the cell arises from its potential (i) to absorb below bandgap energy photons and thus produce additional photocurrent, and (ii) to inject this enhanced photocurrent without degrading its output photo-voltage. The implementation of the IBSC using quantum dots (QDs) takes advantage of the discrete nature of the carrier density of states in a 0-dimensional nano-structure, an essential property for realising the IB concept. In the QD-IBSC, the IB arises from the confined electron states in an array of quantum dots. This paper reviews the operation of the first prototype QD-IBSCs and discusses some of the lessons learnt from their characterisation

  18. Three-dimensional band structure of layered TiTe2: Photoemission final-state effects

    International Nuclear Information System (INIS)

    Three-dimensional band structure of unoccupied and occupied states of the prototype layered material TiTe2 is determined focusing on the ΓA line of the Brillouin zone. Dispersions and lifetimes of the unoccupied states, acting as the final states in the photoemission process, are determined from a very-low-energy electron diffraction experiment supported by first-principles calculations based on a Bloch waves treatment of multiple scattering. The experimental unoccupied states of TiTe2 feature dramatic non-free-electron effects such as multiband composition and nonparabolic dispersions. The valence band layer-perpendicular dispersions are then determined from a photoemission experiment consistently interpreted on the basis of the experimental final states to achieve control over the three-dimensional wave vector. The experimental results demonstrate the absence of the Te 4pz* Fermi surface pocket at the Γ point and significant self-energy renormalization of the valence band dispersions. Photoemission calculations based on a Bloch waves formalism within the one-step theory reveal limitations of understanding photoemission from layered materials such as TiTe2 in terms of direct transitions

  19. Dual Band-Notched Microstrip-Fed Vivaldi Antenna Utilizing Compact EBG Structures

    Directory of Open Access Journals (Sweden)

    K. A. Alshamaileh

    2015-01-01

    Full Text Available We propose an ultra-wideband (UWB antipodal Vivaldi antenna (AVA with high-Q stopband characteristics based on compact electromagnetic bandgap (EBG structures. First, an AVA is designed and optimized to operate over an UWB spectrum. Then, two pairs of EBG cells are introduced along the antenna feed line to suppress the frequency components at 3.6–3.9 and 5.6–5.8 GHz (i.e., WiMAX and ISM bands, resp.. Simulated and measured results show a voltage standing wave ratio (VSWR below 2 for the entire 3.1–10.6 GHz band with high attenuation at the two selected subbands. This simple yet effective approach eliminates the need to deform the antenna radiators with slots/parasitic elements or comprise multilayer substrates. Furthermore, the flexibility it offers in terms of controlling both the number and locations of the band-reject frequencies is advantageous for antennas with nonuniform flares as in the AVA.

  20. Electronic structure tuning and band gap opening of graphene by hole/electron codoping

    International Nuclear Information System (INIS)

    A pathway to open the band gap of graphene by p-n codoping is presented according to the first principles study. Two models are used: Lithium adsorbed on Boron-doped graphene (BG) and Boron-Nitrogen (B/N) codoping into graphene. The stability of Lithium adsorbed on BG is firstly analyzed, showing that the hollow site is the most stable configuration, and there is no energy barrier from some metastable configurations to a stable one. After the p-n codoping, the electronic structures of graphene are modulated to open a band gap with width from 0.0 eV to 0.49 eV, depending on the codoping configurations. The intrinsic physical mechanism responsible for the gap opening is the combination of the Boron atom acting as hole doping and Nitrogen (Lithium) as electron doping. -- Highlights: → The combination of electron and hole doping is adopted to explain and modulate the band gap of graphene. → Li on B-doped graphene is more stable than B/N codoped configuration. → The opened gap can be from 0.0 to about 0.5 eV.

  1. Selecting optimal hyperspectral bands to discriminate nitrogen status in durum wheat: a comparison of statistical approaches.

    Science.gov (United States)

    Stellacci, A M; Castrignanò, A; Troccoli, A; Basso, B; Buttafuoco, G

    2016-03-01

    Hyperspectral data can provide prediction of physical and chemical vegetation properties, but data handling, analysis, and interpretation still limit their use. In this study, different methods for selecting variables were compared for the analysis of on-the-ground hyperspectral signatures of wheat grown under a wide range of nitrogen supplies. Spectral signatures were recorded at the end of stem elongation, booting, and heading stages in 100 georeferenced locations, using a 512-channel portable spectroradiometer operating in the 325-1075-nm range. The following procedures were compared: (i) a heuristic combined approach including lambda-lambda R(2) (LL R(2)) model, principal component analysis (PCA), and stepwise discriminant analysis (SDA); (ii) variable importance for projection (VIP) statistics derived from partial least square (PLS) regression (PLS-VIP); and (iii) multiple linear regression (MLR) analysis through maximum R-square improvement (MAXR) and stepwise algorithms. The discriminating capability of selected wavelengths was evaluated by canonical discriminant analysis. Leaf-nitrogen concentration was quantified on samples collected at the same locations and dates and used as response variable in regressive methods. The different methods resulted in differences in the number and position of the selected wavebands. Bands extracted through regressive methods were mostly related to response variable, as shown by the importance of the visible region for PLS and stepwise. Band selection techniques can be extremely useful not only to improve the power of predictive models but also for data interpretation or sensor design. PMID:26922749

  2. Simulation of winter wheat yield and its uncertainty band; A comparison of two crop growth models

    Science.gov (United States)

    Javad Khordadi Varamini, Mohammad; Nassiri Mahallati, Mehdi; Alizadeh, Amin

    2016-04-01

    In this study, we used the WOFOST and AquaCrop crop growth simulation models to examine crop yield responses to a set of plausible scenarios of climate change in Mashhad region, located in Ghareghom basin, northeast of Iran up to 2040. We selected winter wheat as an indicator crop. Also six AOGCMs including GFCM21, HADCM3, INCM3, IPCM4, MPEH5 and NCCCSM under A2 and B1 emission scenarios are used. LARS-WG statistical method for downscaling is utilized. In the present research, using 7-year observed crop data, the crop models were calibrated and then validated. Evaluation of WOFOST and AquaCrop models confirmed the models are able for simulating the yield of wheat grown in the study area. The results showed that average potential yield of wheat ranged from 3.43 to 8.42 and 2.76 to 6.49 ton.ha-1, in AquaCrop and WOFOST models, respectively. Finally, the uncertainty band due to the six AOGCMs for estimating crop yield is drawn and investigated. These bands show possible changes for the yield in the future period to the past one. It can be concluded the positive effects of climate warming and elevated CO2 concentrations on the production in the studied region.

  3. Photonic-band-gap effects in two-dimensional polycrystalline and amorphous structures

    International Nuclear Information System (INIS)

    We study numerically the density of optical states (DOS) in two-dimensional photonic structures with short-range positional order and observe a transition from polycrystalline to amorphous photonic systems. In polycrystals, photonic band gaps (PBGs) are formed within individual domains, which leads to a depletion of the DOS similar to that in periodic structures. In amorphous photonic media, the domain sizes are too small to form PBGs, thus the depletion of the DOS is weakened significantly. The critical domain size that separates the polycrystalline and amorphous regimes is determined by the attenuation length of Bragg scattering, which depends not only on the degree of positional order but also the refractive-index contrast of the photonic material. Even with relatively low-refractive-index contrast, we find that modest short-range positional order in photonic structures enhances light confinement via collective scattering and interference.

  4. [Band electronic structures and crystal packing forces: Progress report, July 1, 1989--December 13, 1991

    Energy Technology Data Exchange (ETDEWEB)

    1991-12-31

    This report briefly summaries our research accomplishments made during the period of July 1, 1989 to December 13, 1991. A number of significant progresses were achieved in our studies of several different classes of low-dimensional solid state materials. On the basis of tight-binding band electronic structure calculations, we investigated the electronic properties of various organic conducting salts, cuprate superconductors, and transition-metal oxide and chalcogenide metals to find structure-property correlations governing of the physical properties of these low-dimensional materials. By employing a number of different quality basis sets, we also carried out extensive ab initio SCF-MO/MP2 calculations on model molecular systems to accurately describe the weak intermolecular contact interactions governing the structures of organic donor slats and molecular crystals. Our research efforts led to about 80 publications and two important computer programs.

  5. (Band electronic structures and crystal packing forces: Progress report, July 1, 1989--December 13, 1991)

    Energy Technology Data Exchange (ETDEWEB)

    1991-01-01

    This report briefly summaries our research accomplishments made during the period of July 1, 1989 to December 13, 1991. A number of significant progresses were achieved in our studies of several different classes of low-dimensional solid state materials. On the basis of tight-binding band electronic structure calculations, we investigated the electronic properties of various organic conducting salts, cuprate superconductors, and transition-metal oxide and chalcogenide metals to find structure-property correlations governing of the physical properties of these low-dimensional materials. By employing a number of different quality basis sets, we also carried out extensive ab initio SCF-MO/MP2 calculations on model molecular systems to accurately describe the weak intermolecular contact interactions governing the structures of organic donor slats and molecular crystals. Our research efforts led to about 80 publications and two important computer programs.

  6. High Stability CFRP Support Structure for Ka Band Multi-Spot Cluster

    Science.gov (United States)

    Yarza, A.; Cano, J.; Ozores, E.

    2012-07-01

    In the recent days, Ka band mission are being implemented for telecommunication satellites as emergent technology. EADS CASA Espacio (ASTRIUM) has been doing developments able to face up the demanding requirements associated to this frequency band where aspects such as in orbit stability o manufacturing accuracy are essential. Once it has been demonstrated the capability to offer excellent antenna reflectors with low mass, very low ohmic losses, excellent RF performances and very stable in orbit thermoelastic behaviour, improvements at feeder-chain level have been developed with the aim to cover the global antenna mission with excellent performances. This paper presents the product developed to accommodate a KA band multi-spot cluster to cover a telecommunication mission. It includes a description of the tasks carried out until the current development status, with the definition of the mechanical specification used as applicable and the solutions applied to meet the requirements. A CFRP structure is proposed with the aim to achieve a light mass concept, structurally speaking optimized and capable to assemble multiple feeder chain and make independent the thermomechanical behaviour of each one. Moreover, the design with CFRP leads to very stable thermoelastic behaviour of the assembly and the feeder-chain with the scope to guaranty the stability of the RF-beam for the correct electrical performances. The compatibility between the carbon fibre structure and the Aluminium feeder chain is solved by means of isostatic devices that are capable to absorb the thermal stresses coming from the different thermal expansion coefficients of the materials used. The proposed design is to be confirmed over a Qualification Model, already manufactured, with the scope to be implemented as flight hardware in a commercial spacecraft. The product is to be tested in a full qualification environmental test campaign where the capability to withstand the dynamic loads and the thermal

  7. Photonic Band Gaps in 3D Network Structures with Short-range Order

    CERN Document Server

    Liew, Seng Fatt; Noh, Heeso; Schreck, Carl F; Dufresne, Eric R; O'Hern, Corey S; Cao, Hui

    2011-01-01

    We present a systematic study of photonic band gaps (PBGs) in three-dimensional (3D) photonic amorphous structures (PAS) with short-range order. From calculations of the density of optical states (DOS) for PAS with different topologies, we find that tetrahedrally connected dielectric networks produce the largest isotropic PBGs. Local uniformity and tetrahedral order are essential to the formation of PBGs in PAS, in addition to short-range geometric order. This work demonstrates that it is possible to create broad, isotropic PBGs for vector light fields in 3D PAS without long-range order.

  8. Photonic band gaps in three-dimensional network structures with short-range order

    International Nuclear Information System (INIS)

    We present a systematic study of photonic band gaps (PBGs) in three-dimensional (3D) photonic amorphous structures (PASs) with short-range order. From calculations of the density of optical states (DOS) for PASs with different topologies, we find that tetrahedrally connected dielectric networks produce the largest isotropic PBGs. Local uniformity and tetrahedral order are essential to the formation of PBGs in PASs, in addition to short-range geometric order. This work demonstrates that it is possible to create broad, isotropic PBGs for vector light fields in 3D PASs without long-range order.

  9. The effects of band structure on recombination processes in narrow gap materials and laser diodes

    International Nuclear Information System (INIS)

    The work described in this thesis investigates the effects of band structure modifications, brought about by Landau confinement, hydrostatic pressure and uniaxial stress, on recombination processes in narrow-gap materials and laser diodes. The effects of Landau confinement on the characteristics of InSb-based emission devices operating at a wavelength of ∼5μm at 77K were studied. The change in performance due to the magnetic field applied along both the cavity and the growth direction and thereby simulating quasi-quantum wire and quasi-quantum dot structures clearly demonstrated the benefits, such as reduced threshold and temperature sensitivity, gained by the reduced dimensionality. On the other hand, suppression of LO-phonon emission due to the discrete nature of the density of states was observed, for the first time, in an interband laser device. Interband recombination dynamics were studied in In1-xGaxSb and PbSe over a range of excited carrier densities and temperatures down to 30K. Detailed analysis of the results found that the Auger-1 mechanism is reduced in In1-xGaxSb as a function of Ga-fraction due to the increased bandgap energy, in good agreement with theoretical predictions. In PbSe, the Auger-1 rate was observed to dominate at low excited carrier concentrations in spite of near-mirror bands, and was found to be approximately constant between 300K and 70K and was seen to be quenched in the low temperature regime. Stimulated emission was seen to be the most efficient recombination mechanism at high excited carrier densities at low temperatures. The Auger coefficient in PbSe was found to be one to two orders of magnitude lower than for materials with a Kane band structure (Hg1-xCdxTe) with comparable bandgap. An experimental technique was developed which enables measurements at high hydrostatic pressures and high magnetic fields at low temperatures. Hydrostatic pressures were applied to a 1.5μm laser diode at different temperatures revealing the

  10. Design and RF Measurements of AN X-Band Accelerating Structure for the Sparc Project

    Science.gov (United States)

    Alesini, D.; Bacci, A.; Falone, A.; Migliorati, M.; Mostacci, A.; Palpini, F.; Palumbo, L.; Spataro, B.

    2007-09-01

    The paper presents the design of an X-band accelerating section for linearizing the longitudinal phase space in the Frascati Linac Coherent Light Source (SPARC). The nine cells structure, operating on the π standing wave mode, is fed by a central coupler and has been designed to obtain a 42 MV/m accelerating gradient. The 2D profile has been obtained using the electromagnetic codes Superfish and Oscar2D while the coupler has been designed using HFSS. Bead-pull measurements made on a copper prototype have been performed and the results are illustrated and compared with the numerical predictions.

  11. Staggering of the B(M1) value as a fingerprint of specific chiral bands structure

    CERN Document Server

    Grodner, Ernest

    2011-01-01

    Nuclear chirality has been intensively studdied for the last several years in the context of experimental as well as theoretical approach. Characteristic gamma selection rules have been predicted for the strong chiral symmetry breaking limit that has been observed in Cs isotopes. The presented analysis shows that the gamma selection rules cannot be attributed only to chiral symmetry breaking. The selection rules relate to structural composition of the chiral rotational bands, i.e. to odd particle configuration and the deformation of the core.

  12. Exceptional contours and band structure design in parity-time symmetric photonic crystals

    CERN Document Server

    Cerjan, Alexander; Fan, Shanhui

    2016-01-01

    We investigate the properties of multidimensional parity-time symmetric periodic systems whose non-Hermitian periodicity is an integer multiple of the underlying Hermitian system's periodicity. This creates a natural set of degeneracies which can undergo thresholdless $\\mathcal{PT}$ transitions. We derive a $\\mathbf{k} \\cdot \\mathbf{p}$ perturbation theory suited to the continuous eigenvalues of such systems in terms of the modes of the underlying Hermitian system. In photonic crystals, such thresholdless $\\mathcal{PT}$ transitions are shown to yield significant control over the band structure of the system, and can result in all-angle supercollimation, a $\\mathcal{PT}$-superprism effect, and unidirectional behavior.

  13. Study on the energy band structure and photoelectrochemical performances of spinel Li4Ti5O12

    International Nuclear Information System (INIS)

    Highlights: • Spinel Li4Ti5O12 possesses more positive potential of valence band and wider band gap than TiO2. • Spinel Li4Ti5O12 displays typical n-type semiconductor characteristic and excellent UV-excitateded photocatalysis activity. • Our preliminary study will open new perspectives in investigation of other lithium-based compounds for new photocatalysts. - Abstract: Energy band structure, photoelectrochemical performances and photocatalysis activity of spinel Li4Ti5O12 are investigated for the first time in this paper. Li4Ti5O12 possesses more positive valence band potential and wider band gap than TiO2 due to its valence band consisting of Li1s and Ti3d orbitals mixed with O2p. Li4Ti5O12 shows typical photocatalysis material characteristics and excellent photocatlytic activity under UV irradiation

  14. The Development of Layered Photonic Band Gap Structures Using a Micro-Transfer Molding Technique

    Energy Technology Data Exchange (ETDEWEB)

    Kevin Jerome Sutherland

    2001-06-27

    Over the last ten years, photonic band gap (PBG) theory and technology have become an important area of research because of the numerous possible applications ranging from high-efficiency laser diodes to optical circuitry. This research concentrates on reducing the length scale in the fabrication of layered photonic band gap structures and developing procedures to improve processing consistency. Various procedures and materials have been used in the fabrication of layered PBG structures. This research focused on an economical micro transfer molding approach to create the final PBG structure. A poly dimethylsiloxane (PDMS) rubber mold was created from a silicon substrate. It was filled with epoxy and built layer-by-layer to create a 3-D epoxy structure. This structure was infiltrated with nanoparticle titania or a titania sol-gel, then fired to remove the polymer mold, leaving a monolithic ceramic inverse of the epoxy structure. The final result was a lattice of titania rolds that resembles a face-centered tetragonal structure. The original intent of this research was to miniaturize this process to a bar size small enough to create a photonic band gap for wavelengths of visible electro-magnetic radiation. The factor limiting progress was the absence of a silicon master mold of small enough dimensions. The Iowa State Microelectronics Research Center fabricated samples with periodicities of 2.5 and 1.0 microns with the existing technology, but a sample was needed on the order of 0.3 microns or less. A 0.4 micron sample was received from Sandia National Laboratory, which was made through an electron beam lithography process, but it contained several defects. The results of the work are primarily from the 2.5 and 1.0 micron samples. Most of the work focused on changing processing variables in order to optimize the infiltration procedure for the best results. Several critical parameters were identified, ranging from the ambient conditions to the specifics of the

  15. Inter-comparison of Terra and Aqua MODIS Feflective Solar Bands using Suomi NPP VIIRS

    OpenAIRE

    Blonski, Slawomir; Cao, Changyong; Uprety, Sirish; Shao, Xi

    2013-01-01

    VIIRS (Visible Infrared Imager Radiometer Suite) onboard the Suomi NPP (National Polar-orbiting Partnership) satellite has been acquiring Earth observations for more than a year. During that time, SNO (Simultaneous Nadir Overpass) events have provided many opportunities for inter-comparisons between VIIRS and the MODIS (Moderate Resolution Imaging Spectroradiometer) instruments from the Aqua and Terra satellites. The SNOs have occurred over snow-covered Antarctica, which provided bright surfa...

  16. 16O + 16O molecular structures of positive- and negative-parity superdeformed bands in 34S

    Directory of Open Access Journals (Sweden)

    Taniguchi Yasutaka

    2016-01-01

    Full Text Available The structures of excited states in 34S are investigated using the antisymmetrized molecular dynamics and generator coordinate method(GCM. The GCM basis wave functions are calculated via energy variation with a constraint on the quadrupole deformation parameter β. By applying the GCM after parity and angular momentum projections, the coexistence of two positive- and one negative-parity super de formed(SD bands are predicted, and low-lying states and other deformed bands are obtained. The SD bands have structures of 16O + 16O + two valence neutrons in molecular orbitals around the two 16O cores in a cluster picture. The configurations of the two valence neutrons are δ2 and π2 for the positive-parity SD bands and π1δ1 for the negative parity SD band.

  17. A randomized comparison of horizontal and vertical banded gastroplasty: what determines weight loss?

    DEFF Research Database (Denmark)

    Andersen, T; Pedersen, B H; Dissing, I;

    1989-01-01

    Pouch volume, stoma diameter, and pouch emptying rate were measured postoperatively and after 6 months in 45 morbidly obese patients who had been assigned to either horizontal gastroplasty (HGP) or vertical banded gastroplasty (VBGP) after pretreatment with diet alone. Pouch volume and stoma...... diameter were measured by a standardized radiographic method with blinded assessment by two observers. Pouch emptying rate was determined by a standardized scintigraphic method and expressed as the mean transit time (t60). Pouch volume and stoma diameter did not change, whereas t60 decreased by 36% during...... volume, stoma diameter, and t60. Stoma diameter was not correlated with t60. The study provides further evidence against the significance of stoma diameter and pouch emptying rate as determinants of weight loss after gastroplasty. The much smaller pouch volume after VBGP may favor weight loss....

  18. Nitrogen defects in wide band gap oxides: defect equilibria and electronic structure from first principles calculations.

    Science.gov (United States)

    Polfus, Jonathan M; Bjørheim, Tor S; Norby, Truls; Haugsrud, Reidar

    2012-09-01

    The nitrogen related defect chemistry and electronic structure of wide band gap oxides are investigated by density functional theory defect calculations of N(O)(q), NH(O)(×), and (NH2)(O)(·) as well as V(O)(··) and OH(O)(·) in MgO, CaO, SrO, Al(2)O(3), In(2)O(3), Sc(2)O(3), Y(2)O(3), La(2)O(3), TiO(2), SnO(2), ZrO(2), BaZrO(3), and SrZrO(3). The N(O)(q) acceptor level is found to be deep and the binding energy of NH(O)(×) with respect to N(O)' and (OH(O)(·) is found to be significantly negative, i.e. binding, in all of the investigated oxides. The defect structure of the oxides was found to be remarkably similar under reducing and nitriding conditions (1 bar N(2), 1 bar H(2) and 1 × 10(-7) bar H(2)O): NH(O)(×) predominates at low temperatures and [N(O)'] = 2[V(O)(··) predominates at higher temperatures (>900 K for most of the oxides). Furthermore, we evaluate how the defect structure is affected by non-equilibrium conditions such as doping and quenching. In terms of electronic structure, N(O)' is found to introduce isolated N-2p states within the band gap, while the N-2p states of NH(O)(×) are shifted towards, or overlap with the VBM. Finally, we assess the effect of nitrogen incorporation on the proton conducting properties of oxides and comment on their corrosion resistance in nitriding atmospheres in light of the calculated defect structures. PMID:22828729

  19. Bohr Hamiltonian with different mass parameters applied to band structures of Eu isotopes built on Nilsson orbitals

    Indian Academy of Sciences (India)

    ERMAMATOV M J; YÉPEZ-MARTÍNEZ H; SRIVASTAVA P C

    2016-05-01

    The band structure of the proton-odd nuclei $^{153,155}$Eu, built on Nilsson orbitals, is investigated within the framework of a recently developed extended Bohr Hamiltonian model. The relative distance between spherical orbitals is taken into account by considering single-particle energies as a parameter which changes with increasing neutron number. Energy levels of each band and$B(E2)$ values inside the ground-state band are calculated and compared with the available experimental data. Thus, more comprehensive information on the structure of deformed nuclei can be obtained by studying the rotation–vibration spectra of odd nuclei built on Nilsson single-particle orbitals.

  20. Low-lying levels and high-spin band structures in sup 1 sup 0 sup 2 Rh

    CERN Document Server

    Gizon, J; Timar, J; Cata-Danil, G; Nyakó, B M; Zolnai, L; Boston, A J; Joss, D T; Paul, E S; Semple, A T; O'Brien, N J; Parry, C M; Bucurescu, D; Brant, S; Paar, V

    1999-01-01

    Levels in sup 1 sup 0 sup 2 Rh have been populated in the reaction sup 7 sup 0 Zn+ sup 3 sup 6 S at 130 MeV. The level structure of sup 1 sup 0 sup 2 Rh has been investigated using the EUROGAM II array. Low-lying states and four high-spin bands have been identified. The configurations of low-lying levels and two-quasiparticle bands are interpreted in the frame of the interacting boson-fermion-fermion model. The four observed band structures are also compared with cranked shell model calculations using a modified oscillator potential.

  1. Analysis of the Band-Structure in (Ga, MnAs Epitaxial Layers by Optical Methods

    Directory of Open Access Journals (Sweden)

    O. Yastrubchak

    2012-03-01

    Full Text Available The ternary III-V semiconductor (Ga, MnAs has recently drawn a lot of attention as the model diluted ferromagnetic semiconductor, combining semiconducting properties with magnetism. (Ga, MnAs layers are usually gown by the low-temperature molecular-beam epitaxy (LT-MBE technique. Below a magnetic transition temperature, TC, substitutional Mn2+ ions are ferromagnetically ordered owing to interaction with spin-polarized holes. However, the character of electronic states near the Fermi energy and the electronic structure in ferromagnetic (Ga, MnAs are still a matter of controversy. The photoreflectance (PR spectroscopy was applied to study the band-structure evolution in (Ga, MnAs layers with increasing Mn content. We have investigated thick (800-700 nm and 230-300 nm (Ga, MnAs layers with Mn content in the wide range from 0.001 % to 6 % and, as a reference, undoped GaAs layer, grown by LT-MBE on semi-insulating (001 GaAs substrates. Our findings were interpreted in terms of the model, which assumes that the mobile holes residing in the valence band of ferromagnetic (Ga, MnAs and the Fermi level position determined by the concentration of valence-band holes. The ternary III-V semiconductor (Ga, MnAs has recently drawn a lot of attention as the model diluted ferromagnetic semiconductor, combining semiconducting properties with magnetism. (Ga, MnAs layers are usually gown by the low-temperature molecular-beam epitaxy (LT-MBE technique. Below a magnetic transition temperature, TC, substitutional Mn2+ ions are ferromagnetically ordered owing to interaction with spin-polarized holes. However, the character of electronic states near the Fermi energy and the electronic structure in ferromagnetic (Ga, MnAs are still a matter of controversy. The photoreflectance (PR spectroscopy was applied to study the band-structure evolution in (Ga, MnAs layers with increasing Mn content. We have investigated thick (800-700 nm and 230-300 nm (Ga

  2. Relativistic Band Structure and Fermi Surface of PdTe2 by the LMTO Method

    DEFF Research Database (Denmark)

    Jan, J. P.; Skriver, Hans Lomholt

    1977-01-01

    The energy bands of the trigonal layer compound PdTe2 have been calculated, using the relativistic linear muffin-tin orbitals method. The bandstructure is separated into three distinct regions with low-lying Te 5s bands, conduction bands formed by Pd 4d and Te 5p states, and high-lying bands formed...

  3. Correlating structure and electronic band-edge properties in organolead halide perovskites nanoparticles.

    Science.gov (United States)

    Zhu, Qiushi; Zheng, Kaibo; Abdellah, Mohamed; Generalov, Alexander; Haase, Dörthe; Carlson, Stefan; Niu, Yuran; Heimdal, Jimmy; Engdahl, Anders; Messing, Maria E; Pullerits, Tonu; Canton, Sophie E

    2016-06-01

    After having emerged as primary contenders in the race for highly efficient optoelectronics materials, organolead halide perovskites (OHLP) are now being investigated in the nanoscale regime as promising building blocks with unique properties. For example, unlike their bulk counterpart, quantum dots of OHLP are brightly luminescent, owing to large exciton binding energies that cannot be rationalized solely on the basis of quantum confinement. Here, we establish the direct correlation between the structure and the electronic band-edge properties of CH3NH3PbBr3 nanoparticles. Complementary structural and spectroscopic measurements probing long-range and local order reveal that lattice strain influences the nature of the valence band and modifies the subtle stereochemical activity of the Pb(2+) lone-pair. More generally, this work demonstrates that the stereochemical activity of the lone-pair at the metal site is a specific physicochemical parameter coupled to composition, size and strain, which can be employed to engineer novel functionalities in OHLP nanomaterials. PMID:27189431

  4. Handbook of the band structure of elemental solids from Z = 1 to Z = 112

    CERN Document Server

    Papaconstantopoulos, Dimitris A

    2015-01-01

    This handbook presents electronic structure data and tabulations of Slater-Koster parameters for the whole periodic table. This second edition presents data sets for all elements up to Z = 112, Copernicium, whereas the first edition contained only 53 elements. In this new edition, results are given for the equation of state of the elements together with the parameters of a Birch fit, so that the reader can regenerate the results and derive additional information, such as Pressure-Volume relations and variation of Bulk Modulus with Pressure. For each element, in addition to the equation of state, the energy bands, densities of states, and a set of tight-binding parameters is provided. For a majority of elements, the tight-binding parameters are presented for both a two- and three-center approximation. For the hcp structure, new three-center tight-binding results are given. Other new material in this edition include: energy bands and densities of states of all rare-earth metals, a discussion of the McMillan-Gas...

  5. Band structure and transmission characteristics of complex phononic crystals by multi-level substructure scheme

    Science.gov (United States)

    Yin, J.; Zhang, S.; Zhang, H. W.; Chen, B. S.

    2015-10-01

    A fast scheme based on the multi-level substructure technique is proposed for the band structure and transmission characteristics calculation of phononic crystals uniformly. The main idea is that finite element models of phononic crystals are divided into several domains by a special multi-level decomposition. For the band structure calculation, the upscaling calculation is employed to condense the internal stiffness matrix of the unit cell into the Bloch boundary. Due to the internal stiffness matrix does not change along with reduced wave vectors in an iteration process, the scheme can reduce the computational scale and improve the efficiency greatly, meanwhile it does not introduce approximation into the traditional finite element model. For the transmission characteristics calculation, the unit cell of the phononic crystal is periodic which is taken as a substructure with the same coefficient matrix. Moreover, the downscaling calculation of internal displacements can be selected flexibly. Some closely watched examples of the three-dimensional locally resonant, defect state of Lamb wave and Bragg waveguide are analyzed. Numerical results indicate that the proposed scheme is efficient and accurate, which may widely be applicable and suitable for complex phononic crystal problems, and provides a reliable numerical tool to optimize and design crystal devices.

  6. Silicon carbide embedded in carbon nanofibres: structure and band gap determination.

    Science.gov (United States)

    Minella, Anja Bonatto; Pohl, Darius; Täschner, Christine; Erni, Rolf; Ummethala, Raghu; Rümmeli, Mark H; Schultz, Ludwig; Rellinghaus, Bernd

    2014-11-28

    Materials drastically alter their electronic properties when being reduced to the nanoscale due to quantum effects. Concerning semiconductors, the band gap is expected to broaden as a result of the quantum confinement. In this study we report on the successful synthesis of wide bandgap SiC nanowires (with great potential for applications) and the local determination of their band gap. Their value was found to be higher with respect to bulk SiC. The nanowires are grown as a heterostructure, i.e. encapsulated in carbon nanofibres via dc hot-filament Plasma-Enhanced Chemical Vapour Deposition on the Si/SiO2 substrate. The structure of the as-produced carbon nanofibres was characterized by means of aberration-corrected high-resolution transmission electron microscopy. Two different pure SiC polytypes, namely the 3C (cubic) and the 6H (hexagonal) as well as distorted structures are observed. The SiC nanowires have diameters in the range of 10-15 nm and lengths of several hundred nanometers. The formation of the SiC is a result of the substrate etching during the growth of the CNFs and a subsequent simultaneous diffusion of not only carbon, but also silicon through the catalyst particle. PMID:25307877

  7. Experimental Study Of X-band Dielectric-loaded Accelerating Structures

    CERN Document Server

    Jing, C

    2005-01-01

    A joint Argonne National Laboratory (ANL)/Naval Research Laboratory (NRL) program is under way to investigate X- band dielectric-loaded accelerating (DLA) structures, using high-power 11.424GHz radiation from the NRL Magnicon facility. As an advanced accelerator concepts, the dielectric-loaded accelerator offers the potential for a simple, inexpensive alternative to high-gradient RF linear accelerators. In this thesis, a comprehensive account of X-band DLA structure design, including theoretical calculation, numerical simulation, fabrication and testing, is presented in detail. Two types of loading dielectrics, alumina and MgxCa1−xTiO 3 (MCT), are investigated. For alumina (with dielectric constant 9.4), no RF breakdown has been observed up to 5 MW of drive power (equivalent to 8MV/m accelerating gradient) in the high power RF testing at NRL, but multipactor was observed to absorb a large fraction of the incident microwave power. Experimental results on suppression of multipactor using TiN coating o...

  8. Momentum-Space Imaging of the Dirac Band Structure in Molecular Graphene via Quasiparticle Interference

    Science.gov (United States)

    Stephenson, Anna; Gomes, Kenjiro K.; Ko, Wonhee; Mar, Warren; Manoharan, Hari C.

    2014-03-01

    Molecular graphene is a nanoscale artificial lattice composed of carbon monoxide molecules arranged one by one, realizing a dream of exploring exotic quantum materials by design. This assembly is done by atomic manipulation with a scanning tunneling microscope (STM) on a Cu(111) surface. To directly probe the transformation of normal surface state electrons into massless Dirac fermions, we map the momentum space dispersion through the Fourier analysis of quasiparticle scattering maps acquired at different energies with the STM. The Fourier analysis not only bridges the real-space and momentum-space data but also reveals the chiral nature of those quasiparticles, through a set of selection rules of allowed scattering involving the pseudospin and valley degrees of freedom. The graphene-like band structure can be reshaped with simple alterations to the lattice, such as the addition of a strain. We analyze the effect on the momentum space band structure of multiple types of strain on our system. Supported by DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under contract DE-AC02-76SF00515.

  9. Band structure of topological insulators from noise measurements in tunnel junctions

    Energy Technology Data Exchange (ETDEWEB)

    Cascales, Juan Pedro, E-mail: juanpedro.cascales@uam.es; Martínez, Isidoro; Aliev, Farkhad G., E-mail: farkhad.aliev@uam.es [Dpto. Fisica Materia Condensada C3, Instituto Nicolas Cabrera (INC), Condensed Matter Physics Institute (IFIMAC), Universidad Autonoma de Madrid, Madrid 28049 (Spain); Katmis, Ferhat; Moodera, Jagadeesh S. [Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Chang, Cui-Zu [Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Guerrero, Rubén [Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia), Cantoblanco, 28049 Madrid (Spain)

    2015-12-21

    The unique properties of spin-polarized surface or edge states in topological insulators (TIs) make these quantum coherent systems interesting from the point of view of both fundamental physics and their implementation in low power spintronic devices. Here we present such a study in TIs, through tunneling and noise spectroscopy utilizing TI/Al{sub 2}O{sub 3}/Co tunnel junctions with bottom TI electrodes of either Bi{sub 2}Te{sub 3} or Bi{sub 2}Se{sub 3}. We demonstrate that features related to the band structure of the TI materials show up in the tunneling conductance and even more clearly through low frequency noise measurements. The bias dependence of 1/f noise reveals peaks at specific energies corresponding to band structure features of the TI. TI tunnel junctions could thus simplify the study of the properties of such quantum coherent systems that can further lead to the manipulation of their spin-polarized properties for technological purposes.

  10. New bismuth borophosphate Bi{sub 4}BPO{sub 10}: Synthesis, crystal structure, optical and band structure analysis

    Energy Technology Data Exchange (ETDEWEB)

    Babitsky, Nicolay A.; Leshok, Darya Y.; Mikhaleva, Natalia S. [Siberian Federal University, 79 Svobodny Av, Krasnoyarsk, 660041 (Russian Federation); Kuzubov, Aleksandr A., E-mail: alexkuzubov@gmail.com [Siberian Federal University, 79 Svobodny Av, Krasnoyarsk, 660041 (Russian Federation); Institute of Physics SB RAS, Krasnoyarsk 660036 (Russian Federation); Zhereb, Vladimir P. [Siberian Federal University, 79 Svobodny Av, Krasnoyarsk, 660041 (Russian Federation); Kirik, Sergei D., E-mail: kiriksd@yandex.ru [Siberian Federal University, 79 Svobodny Av, Krasnoyarsk, 660041 (Russian Federation)

    2015-08-01

    New bismuth borophosphate Bi{sub 4}BPO{sub 10} was obtained by spontaneous crystallization from the melt of correspondent composition at 804 °C. Crystal structure with orthorhombic lattice parameters: a = 22.5731(3) Å, b = 14.0523(2) Å, c = 5.5149(1) Å, V = 1749.34(4), Z = 8, SG Pcab was determined by X-ray powder diffraction technique. The [Bi{sub 2}O{sub 2}]{sup 2+} -layers, which are typical for bismuth oxide compounds, transform into cationic endless strips of 4 bismuth atoms width directed along the c-axis in Bi{sub 4}BPO{sub 10}. The strips combining stacks are separated by flat triangle [BO{sub 3}]{sup 3−} -anions within stacks. Neighboring stacks are separated by tetrahedral [PO{sub 4}]{sup 3−}-anions and shifted relatively to each other. Bismuth atoms are placed in 5–7 vertex oxygen irregular polyhedra. Bi{sub 4}BPO{sub 10} is stable up to 812 °C, then melts according to the peritectic law. The absorption spectrum in the range 350–700 nm was obtained and the width of the forbidden band was estimated as 3.46 eV. The band electronic structure of Bi{sub 4}BPO{sub 10} was modeled using DFT approach. The calculated band gap (3.56 eV) is in good agreement with the experimentally obtained data. - Graphical abstract: Display Omitted - Highlights: • New bismuth borophosphate with composition Bi{sub 4}BPO{sub 10} was synthesized. • The crystal structure was determined by X-ray powder diffraction technique. • Bismuth-oxygen part [Bi{sub 4}O{sub 3}]{sup 6+} forms endless strips of 4 bismuth atoms width. • Electronic structure was modeled by DFT method. • The calculated band gap (3.56 eV) is very close to the experimental one (3.46 eV)

  11. Collective band structure of 166,168Hf in IBM and DPPQ models

    International Nuclear Information System (INIS)

    166,168Hf are the lightest isotopes of Hf, for which the spectral information for non-yrast levels is now available from recent experiments. The algebraic Interacting Boson Model IBM-1 is employed to reproduce their level structures and to predict the E2 transition probabilities. The pairing plus quadrupole model is used to predict their spectra and E2 transition rates and the static moments in a microscopic approach. The spin assignments Iπ of new levels and their K-band structures are studied. The validity of the inclusion of 166,168Hf as members of a U(12) super group is studied using various empirical observables. The potential energy surfaces for the two isotopes are compared and the filling of the nucleons in Nilsson orbits is analyzed, to yield a consistent comprehensive view of the spectra of the two Z = 72 isotopes. (orig.)

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

    CERN Document Server

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

    2015-01-01

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

  13. Two-dimensional silica: Structural, mechanical properties, and strain-induced band gap tuning

    International Nuclear Information System (INIS)

    Two-dimensional silica is of rising interests not only for its practical applications as insulating layers in nanoelectronics, but also as a model material to understand crystals and glasses. In this study, we examine structural and electronic properties of hexagonal and haeckelite phases of silica bilayers by performing first-principles calculations. We find that the corner-sharing SiO4 tetrahedrons in these two phases are locally similar. The robustness and resilience of these tetrahedrons under mechanical perturbation allow effective strain engineering of the electronic structures with band gaps covering a very wide range, from of that for insulators, to wide-, and even narrow-gap semiconductors. These findings suggest that the flexible 2D silica holds great promises in developing nanoelectronic devices with strain-tunable performance, and lay the ground for the understanding of crystalline and vitreous phases in 2D, where bilayer silica provides an ideal test-bed

  14. The valence band structure of AgxRh1–x alloy nanoparticles

    International Nuclear Information System (INIS)

    The valence band (VB) structures of face-centered-cubic Ag-Rh alloy nanoparticles (NPs), which are known to have excellent hydrogen-storage properties, were investigated using bulk-sensitive hard x-ray photoelectron spectroscopy. The observed VB spectra profiles of the Ag-Rh alloy NPs do not resemble simple linear combinations of the VB spectra of Ag and Rh NPs. The observed VB hybridization was qualitatively reproduced via a first-principles calculation. The electronic structure of the Ag0.5Rh0.5 alloy NPs near the Fermi edge was strikingly similar to that of Pd NPs, whose superior hydrogen-storage properties are well known.

  15. Two-dimensional silica: Structural, mechanical properties, and strain-induced band gap tuning

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Enlai; Xie, Bo [Applied Mechanics Laboratory, Department of Engineering Mechanics, and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084 (China); Xu, Zhiping, E-mail: xuzp@tsinghua.edu.cn [Applied Mechanics Laboratory, Department of Engineering Mechanics, and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084 (China); State Key Laboratory of Mechanics and Control of Mechanical Structures, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2016-01-07

    Two-dimensional silica is of rising interests not only for its practical applications as insulating layers in nanoelectronics, but also as a model material to understand crystals and glasses. In this study, we examine structural and electronic properties of hexagonal and haeckelite phases of silica bilayers by performing first-principles calculations. We find that the corner-sharing SiO{sub 4} tetrahedrons in these two phases are locally similar. The robustness and resilience of these tetrahedrons under mechanical perturbation allow effective strain engineering of the electronic structures with band gaps covering a very wide range, from of that for insulators, to wide-, and even narrow-gap semiconductors. These findings suggest that the flexible 2D silica holds great promises in developing nanoelectronic devices with strain-tunable performance, and lay the ground for the understanding of crystalline and vitreous phases in 2D, where bilayer silica provides an ideal test-bed.

  16. Two-dimensional silica: Structural, mechanical properties, and strain-induced band gap tuning

    Science.gov (United States)

    Gao, Enlai; Xie, Bo; Xu, Zhiping

    2016-01-01

    Two-dimensional silica is of rising interests not only for its practical applications as insulating layers in nanoelectronics, but also as a model material to understand crystals and glasses. In this study, we examine structural and electronic properties of hexagonal and haeckelite phases of silica bilayers by performing first-principles calculations. We find that the corner-sharing SiO4 tetrahedrons in these two phases are locally similar. The robustness and resilience of these tetrahedrons under mechanical perturbation allow effective strain engineering of the electronic structures with band gaps covering a very wide range, from of that for insulators, to wide-, and even narrow-gap semiconductors. These findings suggest that the flexible 2D silica holds great promises in developing nanoelectronic devices with strain-tunable performance, and lay the ground for the understanding of crystalline and vitreous phases in 2D, where bilayer silica provides an ideal test-bed.

  17. Band structure and waveguide modelling of epitaxially regrown photonic crystal surface-emitting lasers

    International Nuclear Information System (INIS)

    In this paper we describe elements of photonic crystal surface-emitting laser (PCSEL) design and operation, highlighting that epitaxial regrowth may provide advantages over current designs incorporating voids. High coupling coefficients are shown to be possible for all-semiconductor structures. We introduce type I and type II photonic crystals (PCs), and discuss the possible advantages of using each. We discussed band structure and coupling coefficients as a function of atom volume for a circular atom on a square lattice. Additionally we explore the effect PC atom size has on in-plane and out-of-plane coupling. We conclude by discussing designs for a PCSEL combined with a distributed Bragg reflector to maximize external efficiency. (paper)

  18. X-band Dielectric Loaded Rf Driven Accelerator Structures Theoretical And Experimental Investigations

    CERN Document Server

    Zou, P

    2001-01-01

    An important area of application of high-power radio frequency (RF) and microwave sources is particle acceleration. A major challenge for the current worldwide research and development effort in linear accelerator is the search for a compact and affordable very-high-energy accelerator technology for the next generation supercolliders. It has been recognized for sometime that dielectric loaded accelerator structures are attractive candidates for the next generation very-high-energy linear accelerators, because they possess several distinct advantages over conventional metallic iris- loaded accelerator structures. However, some fundamental issues, such as RF breakdown in the dielectric, Joule heating, and vacuum properties of dielectric materials, are still the subjects of intense investigation, requiring the validation by experiments conducted at high power levels. An X-band traveling-wave accelerator based on dielectric-lined waveguide has been designed and constructed. Numerical calculation, bench measuremen...

  19. Comparison of the Giemsa C-banded and N-banded karyotypes of two Elymus species, E. dentatus and E. glaucescens (Poaceae; Triticeae)

    DEFF Research Database (Denmark)

    Linde-Laursen, I.; Seberg, O.; Salomon, B.

    1994-01-01

    The karyotypes of Elymus dentatus from Kashmir and E. glaucescens from Tierra del Fuego, both carrying genomes S and H, were investigated by C- and N-banding. Both taxa had 2n = 4x = 28. The karyotype of E. dentatus was symmetrical with large chromosomes. It had 18 metacentric, four submetacentric...... and six satellited chromosomes. The karyotype of E. glaucescens resembled that of E. dentatus, but a satellited chromosome pair was replaced by a morphologically similar, non-satellited pair. The C-banding patterns of both species had from one to five conspicuous and a few inconspicuous bands per...

  20. Comparison of wide-band inertial line of sight stabilization reference mechanizations

    Science.gov (United States)

    Luniewicz, Michael F.; Gilmore, Jerold P.; Chien, Tze T.; Negro, James E.; Wingler, Randy L.

    1992-11-01

    This paper compares, in terms of relative performance of line-of-sight (LOS) stabilization in the presence of vehicle jitter, three inertial LOS stabilization reference mechanizations for space-based optical systems: an inertially stabilized platform, the Inertial Pseudo-Star Reference Unit (IPSRU), the Optical Reference Gyro (ORG), and a strapdown wide-band inertial sensor assembly. Each of the three stabilization reference mechanizations generates a collimated alignment beam that is injected into the entrance aperture of the optical system. In the stabilized platform mechanization, the alignment beam emanates from a platform inertially stabilized from vehicle jitter in two axes, and thus the alignment beam becomes a jitter-stabilized pseudostar. An alignment loop closed around the pseudostar image and a steering mirror in the optical path stabilizes the LOS against vehicle jitter. The ORG alignment beam projects from the gyro rotor, which is decoupled from case motion and is effectively inertially stabilized. The ORG spin-speed noise is compensated with phase-lock technology. In the strapdown mechanization, the alignment beam source is hard-mounted to the vehicle. Inertial measurement of the local vehicle motion is fed forward, open loop, to a steering mirror in the optical path to compensate for alignment beam jitter.

  1. Analysis and comparison model for measuring tropospheric scintillation intensity for Ku-band frequency in Malaysia

    Directory of Open Access Journals (Sweden)

    Mandeep JS

    2011-06-01

    Full Text Available This study has been based on understanding local propagation signal data distribution characteristics and identifying and predicting the overall impact of significant attenuating factors regarding the propagation path such as impaired propagation for a signal being transmitted. Predicting propagation impairment is important for accurate link budgeting, thereby leading to better communication network system designation. This study has thus used sample data for one year concerning beacon satellite operation in Malaysia from April 2008 to April 2009. Data concerning 12GHz frequency (Ku-band and 40° elevation angle was collected and analysed, obtaining average signal amplitude value, ÷ and also standard deviation ó which is normally measured in dB to obtain long-term scintillation intensity distribution. This analysis showed that scintillation intensity distribution followed Gaussian distribution for long-term data distribution. A prediction model was then selected based on the above; Karasawa,
    ITU-R, Van de Kamp and Otung models were compared to obtain the best prediction model performance for selected data regarding specific meteorological conditions. This study showed that the Karasawa model had the best performance for predicting scintillation intensity for the selected da ta.

  2. Analysis of the heterochromatin of Cebus (Primates, Platyrrhini) by micro-FISH and banding pattern comparisons

    Indian Academy of Sciences (India)

    Mariela Nieves; Edivaldo H. C. De Oliveira; Paulo J. S. Amaral; Cleusa Y. Nagamachi; Julio C. Pieczarka; María C. Mühlmann; Marta D. Mudry

    2011-04-01

    The karyotype of the neotropical primate genus Cebus (Platyrrhini: Cebidae), considered the most ancestral one, shows the greatest amount of heterochromatin described among Platyrrhini genera. Banding techniques and restriction enzyme digestion have previously revealed great variability of quantity and composition of heterochromatin in this genus. In this context, we use fluorescence in situ hybridization (FISH) to analyse this genomic region and discuss its possible role in the diversification of Cebus. We used a heterochromatin probe for chromosome 11 of Cebus libidinosus (11qHe+ CLI probe), obtained by chromosome microdissection. Twenty-six specimens belonging to the families Atelidae, Cebidae, Callitrichidae and Pithecidae (Platyrrhini) were studied. Fourteen out of 26 specimens were Cebus (Cebidae) individuals of C. libidinosus, C. xanthosternos, C. apella, C. nigritus, C. albifrons, C. kaapori and C. olivaceus. In Cebus specimens, we found 6 to 22 positive signals located in interstitial and telomeric positions along the different species. No hybridization signal was observed among the remaining Ceboidea species, thus reinforcing the idea of a Cebus-specific heterochromatin composed of a complex system of repetitive sequences.

  3. The influence of T-square fractal shape holes on the band structure of two-dimensional phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaojian; Fan, Youhua, E-mail: yhfan@hit.edu.cn; An, Yumin

    2013-11-15

    The influences of the T-square fractal holes on the band structures of two-dimensional phononic crystals with periodic distributed void pores are studied. Through using the finite element method, the dispersion relations in the two-dimensional phonoinc crystals with different level fractal holes are illustrated. The absolute bandgap can be easily formed in the phononic crystal with high level fractal holes, but hardly for first level ones. And the frequencies of the band structure are decreased with the increase of the fractal level. By analyzing the vibration modes of the unit cell of the phononic crystal, we find the origin of the lower frequency band is due to the locally resonant mechanism. Moreover, the impacts of the size of the fractal hole on the band structure are studied.

  4. Electronic structure of the conduction band upon the formation of ultrathin fullerene films on the germanium oxide surface

    Science.gov (United States)

    Komolov, A. S.; Lazneva, E. F.; Gerasimova, N. B.; Panina, Yu. A.; Baramygin, A. V.; Zashikhin, G. D.

    2016-06-01

    The results of the investigation of the electronic structure of the conduction band in the energy range 5-25 eV above the Fermi level E F and the interfacial potential barrier upon deposition of aziridinylphenylpyrrolofullerene (APP-C60) and fullerene (C60) films on the surface of the real germanium oxide ((GeO2)Ge) have been presented. The content of the oxide on the (GeO2)Ge surface has been determined using X-ray photoelectron spectroscopy. The electronic properties have been measured using the very low energy electron diffraction (VLEED) technique in the total current spectroscopy (TCS) mode. The regularities of the change in the fine structure of total current spectra (FSTCS) with an increase in the thickness of the APP-C60 and C60 coatings to 7 nm have been investigated. A comparison of the structures of the FSTCS maxima for the C60 and APP-C60 films has made it possible to reveal the energy range (6-10 eV above the Fermi level E F) in which the energy states are determined by both the π* and σ* states and the FSTCS spectra have different structures of the maxima for the APP-C60 and unsubstituted C60 films. The formation of the interfacial potential barrier upon deposition of APP-C60 and C60 on the (GeO2)Ge surface is accompanied by an increase in the work function of the surface E vac- E F by the value of 0.2-0.3 eV, which corresponds to the transfer of the electron density from the substrate to the organic films under investigation. The largest changes occur with an increase in the coating thickness to 3 nm, and with further deposition of APP-C60 and C60, the work function of the surface changes only slightly.

  5. Birefringence and band structure of CdP{sub 2} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Beril, S.I.; Stamov, I.G. [Tiraspol State Corporative University, Yablocikin Street 5, 2069 Tiraspol, Republic of Moldova (Moldova, Republic of); Syrbu, N.N., E-mail: sirbunn@yahoo.com [Technical University of Moldova, 168 Stefan cel Mare Avenue, 2004 Chisinau, Republic of Moldova (Moldova, Republic of); Zalamai, V.V. [Institute of Applied Physics, Academy of Sciences of Moldova, 5 Academy Street, 2028 Chisinau, Republic of Moldova (Moldova, Republic of)

    2013-08-01

    The spatial dispersion in CdP{sub 2} crystals was investigated. The dispersion is positive (n{sup k||c}>n{sup k||y}) at λ>λ{sub 0} and negative (n{sup k||c}bands. Minimal direct energy intervals correspond to transitions Γ{sub 1}→Γ{sub 1} for E{sup ||}c and Γ{sub 2}→Γ{sub 1} for E⊥c. The temperature coefficient of energy gap sifting in the case of temperature changing between 2 and 4.2 K equals to 10.6 meV/K and 3.2 mev/K for Γ{sub 1}→Γ{sub 1} and Γ{sub 2}→Γ{sub 1} band gap correspondingly. Reflectivity spectra were measured for energy interval 1.5–10 eV and optical functions (n, k, ε{sub 1}, ε{sub 2,}d{sup 2}ε{sub 1}/dE{sup 2} and d{sup 2}ε{sub 2}/dE{sup 2}) were calculated by using Kramers–Kronig analyses. All features were interpreted as optical transitions on the basis of both theoretical calculations of band structure.

  6. EFFECTIVENESS IN DYNAMIC BALANCE: A COMPARISON BETWEEN FOOT MUSCLE STRENGTHENING USING ELASTIC BAND AND WITHOUT ELASTIC BAND IN CHILDREN AGED 8–12 WITH FLEXIBLE FLATFEET

    Directory of Open Access Journals (Sweden)

    Indri Listyorini

    2015-05-01

    Full Text Available Objective: To compare the effects of foot muscle strengthening exercises with and without elastic band to the dynamic balance function in children aged 8–12 years with flexible flatfeet. Methods: Forty-one children (aged 8–12 years with flexible flatfeet and dynamic balance problem were randomly allocated into either the intervention or control group. Both groups received thrice weekly training for 6 weeks. The foot strengthening exercise regimens consisted of pronation, supination, short foot, and tiptoeing using elastic band for the intervention group and without elastic band for the control group. Star Excursion Balance Test (SEBT was tested before and after 6 weeks of training. Results: A statistically significant difference of normalized SEBT scores was found for both groups in both legs (p=0.00, p<0.05. The intervention group was significantly better than the control group for both right and left legs (p=0.00, p<0.05. Conclusions: Foot muscle strengthening either with or without elastic band improves dynamic balance in children aged 8–12 years with flexible flatfeet. Exercise given with elastic band significantly shows better improvement in the dynamic balance compared to without elastic band.

  7. Physical properties and electronic band structure of noncentrosymmetric Th7Co3 superconductor.

    Science.gov (United States)

    Sahakyan, M; Tran, V H

    2016-05-25

    The physical properties of the noncentrosymmetric superconductor Th7Co3 have been investigated by means of ac-magnetic susceptibility, magnetization, specific heat, electrical resistivity, magnetoresistance and Hall effect measurements. From these data it is established that Th7Co3 is a dirty type-II superconductor with [Formula: see text] K, [Formula: see text] and moderate electron-phonon coupling [Formula: see text]. Some evidences for anisotropic superconducting gap are found, including e.g. reduced specific heat jump ([Formula: see text]) at T c, diminished superconducting energy gap ([Formula: see text]) as compared to the BCS values, power law field dependence of the Sommerfeld coefficient at 0.4 K ([Formula: see text]), and a concave curvature of the [Formula: see text] line. The magnitudes of the thermodynamic critical field and the energy gap are consistent with mean-squared anisotropy parameter [Formula: see text]. The electronic specific heat in the superconducting state is reasonably fitted to an oblate spheroidal gap model. Calculations of scalar relativistic and fully relativistic electronic band structures reveal considerable differences in the degenerate structure, resulting from asymmetric spin-orbit coupling (ASOC). A large splitting energy of spin-up spin-down bands at the Fermi level E F, [Formula: see text] meV is observed and a sizeable ratio [Formula: see text] could classify the studied compound into the class of noncentrosymmetric superconductors with strong ASOC. The noncentrosymmetry of the crystal structure and the atomic relativistic effects are both responsible for an importance of ASOC in Th7Co3. The calculated results for the density of states show a Van Hove singularity just below E F and dominant role of the 6d electrons of Th to the superconductivity. PMID:27120582

  8. Physical properties and electronic band structure of noncentrosymmetric Th7Co3 superconductor

    Science.gov (United States)

    Sahakyan, M.; Tran, V. H.

    2016-05-01

    The physical properties of the noncentrosymmetric superconductor Th7Co3 have been investigated by means of ac-magnetic susceptibility, magnetization, specific heat, electrical resistivity, magnetoresistance and Hall effect measurements. From these data it is established that Th7Co3 is a dirty type-II superconductor with {{T}\\text{c}}=1.8+/- 0.02 K, Hc2\\text{orb}energy gap ({{Δ }0}/{{k}\\text{B}}{{T}\\text{c}}=2.17 ) as compared to the BCS values, power law field dependence of the Sommerfeld coefficient at 0.4 K ({{C}p}/T\\propto {{H}0.6} ), and a concave curvature of the {{H}c2}≤ft({{T}\\text{c}}\\right) line. The magnitudes of the thermodynamic critical field and the energy gap are consistent with mean-squared anisotropy parameter ∼ 0.23 . The electronic specific heat in the superconducting state is reasonably fitted to an oblate spheroidal gap model. Calculations of scalar relativistic and fully relativistic electronic band structures reveal considerable differences in the degenerate structure, resulting from asymmetric spin–orbit coupling (ASOC). A large splitting energy of spin-up spin-down bands at the Fermi level E F, Δ {{E}\\text{ASOC}}∼ 100 meV is observed and a sizeable ratio Δ {{E}\\text{ASOC}}/{{k}\\text{B}}{{T}\\text{c}}∼ 640 could classify the studied compound into the class of noncentrosymmetric superconductors with strong ASOC. The noncentrosymmetry of the crystal structure and the atomic relativistic effects are both responsible for an importance of ASOC in Th7Co3. The calculated results for the density of states show a Van Hove singularity just below E F and dominant role of the 6d electrons of Th to the superconductivity.

  9. Band alignment of vanadium oxide as an interlayer in a hafnium oxide-silicon gate stack structure

    Science.gov (United States)

    Zhu, Chiyu; Kaur, Manpuneet; Tang, Fu; Liu, Xin; Smith, David J.; Nemanich, Robert J.

    2012-10-01

    Vanadium oxide (VO2) is a narrow band gap material (Eg = 0.7 eV) with a thermally induced insulator-metal phase transition at ˜343 K and evidence of an electric field induced transition at T oxidized Si(100) surface and a 2 nm hafnium oxide (HfO2) layer. The layer structure was confirmed with high resolution transmission electron microscopy. The electronic properties were characterized with x-ray and ultraviolet photoemission spectroscopy, and the band alignment was deduced on both n-type and p-type Si substrates. The valence band offset between VO2 and SiO2 is measured to be 4.0 eV. The valence band offset between HfO2 and VO2 is measured to be ˜3.4 eV. The band relation developed from these results demonstrates the potential for charge storage and switching for the embedded VO2 layer.

  10. Band structure of Heusler compounds studied by photoemission and tunneling spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Arbelo Jorge, Elena

    2011-07-01

    Heusler compounds are key materials for spintronic applications. They have attracted a lot of interest due to their half-metallic properties predicted by band structure calculations. The aim of this work is to evaluate experimentally the validity of the predictions of half metallicity by band structure calculations for two specific Heusler compounds, Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa. Two different spectroscopy methods for the analysis of the electronic properties were used: Angular Resolved Ultraviolet Photoemission Spectroscopy (ARUPS) and Tunneling Spectroscopy. Heusler compounds are prepared as thin films by RF-sputtering in an ultra high vacuum system. For the characterization of the samples, bulk and surface crystallographic and magnetic properties of Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa are studied. X-ray and electron diffraction reveal a bulk and surface crossover between two different types of sublattice order (from B2 to L2{sub 1}) with increasing annealing temperature. X-ray magnetic circular dichroism results show that the magnetic properties in the surface and bulk are identical, although the magnetic moments obtained are 5 % below from the theoretically predicted. By ARUPS evidence for the validity of the predicted total bulk density of states (DOS) was demonstrated for both Heusler compounds. Additional ARUPS intensity contributions close to the Fermi energy indicates the presence of a specific surface DOS. Moreover, it is demonstrated that the crystallographic order, controlled by annealing, plays an important role on broadening effects of DOS features. Improving order resulted in better defined ARUPS features. Tunneling magnetoresistance measurements of Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa based MTJ's result in a Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} spin polarization of 44 %, which is the highest experimentally obtained value for this compound, although it is lower than the 100 % predicted. For Co

  11. A PPM-focused klystron at X-band with a traveling-wave output structure

    International Nuclear Information System (INIS)

    We have developed algorithms for designing disk-loaded traveling-wave output structures for X-band klystrons to be used in the SLAC NLC. We use either a four- or five-cell structure in a π/2 mode. The disk radii are tapered to produce an approximately constant gradient. The matching calculation is not performed on the tapered structure, but rather on a coupler whose input and output cells are the same as the final cell of the tapered structure, and whose interior cells are the same as the penultimate cell in the tapered structure. 2-D calculations using CONDOR model the waveguide as a radial transmission line of adjustable impedance. 3-D calculations with MAFIA model the actual rectangular waveguide and coupling slot. A good match is obtained by adjusting the impedance of the final cell. In 3-D, this requires varying both the radius of the cell and the width of the aperture. When the output cell with the best match is inserted in the tapered structure, we obtain excellent cold-test agreement between the 2-D and 3-D models. We use hot-test simulations with CONDOR to design a structure with maximum efficiency and minimum surface fields. We have designed circuits at 11.424 Ghz for different perveances. At 440 kV, microperveance 1.2, we calculated 81 MW, 53 percent efficiency, with peak surface field 76 MV/m. A microperveance 0.6 design was done using a PPM stack for focusing. At 470 kV, 193 amps, we calculated 58.7 MW, 64.7 percent efficiency, peak surface field 62.3 MV/m. At 500 kV, 212 amps, we calculated 67.1 MW, 63.3 percent efficiency, peak surface field 66.0 MV/m. copyright 1995 American Institute of Physics

  12. Measurements of band gap structure in diamond compressed to 370 GPa

    Science.gov (United States)

    Gamboa, Eliseo; Fletcher, Luke; Lee, Hae-Ja; Zastrau, Ulf; Gauthier, Maxence; Gericke, Dirk; Vorberger, Jan; Granados, Eduardo; Heimann, Phillip; Hastings, Jerome; Glenzer, Siegfried

    2015-06-01

    We present the first measurements of the electronic structure of dynamically compressed diamond demonstrating a widening of the band gap to pressures of up to 370 +/- 25 GPa. The 8 keV free electron laser x-ray beam from the Linac Coherently Light Source (LCLS) has been focussed onto a diamond foil compressed by two counter-propagating laser pulses to densities of up to 5.3 g/cm3 and temperatures of up to 3000 +/- 400 K. The x-ray pulse excites a collective interband transition of the valence electrons, leading to a plasmon-like loss. We find good agreement with the observed plasmon shift by including the pressure dependence of the band gap as determined from density functional theory simulations. This work was performed at the Matter at Extreme Conditions (MEC) instrument of LCLS, supported by the DOE Office of Science, Fusion Energy Science under Contract No. SF00515. This work was supported by DOE Office of Science, Fusion Energy Science under F.

  13. Structure of positive parity bands and observation of magnetic rotation in 108Ag

    Science.gov (United States)

    Sethi, Jasmine; Palit, R.

    2015-10-01

    The interplay of nuclear forces among the neutron particles (holes) and proton holes (particles) in the odd-odd nuclei gives rise to a variety of shapes and hence novel modes of excitations. The odd-odd nuclei in the A ~ 110 region have proton holes in the g9/2 orbital and the neutron particles in the h11/2 orbitals. A systematic study of shears mechanism in A ~ 110 region indicates the presence of magnetic rotation (MR) phenomenon in Ag and In isotopes. Therefore, the structure of doubly odd 108Ag nucleus was probed in two different reactions, i.e, 100Mo(11B, 4n)108Ag at 39 MeV and 94Zr(18O, p3n)108Ag at 72 MeV beam energies. The emitted γ-rays were detected using the Indian National Gamma Array (INGA) at TIFR, Mumbai. A significant number of new transitions and energy levels were identified. Lifetime measurements, using the Doppler shift attenuation method, have been carried out for a positive parity dipole band. Tilted Axis Cranking (TAC) calculations have been performed for two positive parity dipole bands.

  14. Determinants of Capital Structure: A Cross-Country Comparison

    OpenAIRE

    Martin, James

    2013-01-01

    This paper is a cross-country comparison of capital structure; specifically its firm level determinants and how these fluctuate between both Japan and the United States to test the efficacy of competing capital structure theories within contrasting institutional traditions. The purpose of the study is to bring to light the possible effect of such institutional differences on the capital structure decision for financial managers. I utilize a pre-crisis sample of 292 firms, 147 from Japan and 1...

  15. Electronic structure and Fermi surface of the two-dimensional three-band Hubbard model in doped cuprates

    International Nuclear Information System (INIS)

    The electronic structure of the high-Tc copper oxides is calculated by means of an extended two-dimensional three-band Hubbard model in the unrestricted Hartree-Fock approximation. The influence of the coupling parameters on the obtained bands, as well as their doping dependence are investigated especially at the Fermi surface. Results are discussed in the light of recent experimental data for the cuprate Fermi surfaces. A comparative analysis of these conflicting data on the basis of our results sheds some light on the interpretation of the measured band structures. The direct oxygen-oxygen hopping interaction is found to be essential in fitting experimental results, suggesting that, in the doped regime, the oxygen band plays a key role at least in the near-EF region. Antiferromagnetic correlations among copper atoms turn out as well to be crucial. The results agree remarkably well with previous local-density calculations and with spectroscopic measurements

  16. Computing the band structure and energy gap of penta-graphene by using DFT and G0W0 approximations

    Science.gov (United States)

    Einollahzadeh, H.; Dariani, R. S.; Fazeli, S. M.

    2016-03-01

    In this paper, we consider the optimum coordinate of the penta-graphene. Penta-graphene is a new stable carbon allotrope which is stronger than graphene. Here, we compare the band gap of penta-graphene with various density functional theory (DFT) methods. We plot the band structure of penta-graphene which calculated with the generalized gradient approximation functional HTCH407, about Fermi energy. Then, one-shot GW (G0W0) correction for precise computations of band structure is applied. Quasi-direct band gap of penta-graphene is obtained around 4.1-4.3 eV by G0W0 correction. Penta-graphene is an insulator and can be expected to have broad applications in future, especially in nanoelectronics and nanomechanics.

  17. From Metal Cluster to Metal Nanowire: A Topological Analysis of Electron Density and Band Structure Calculation

    Directory of Open Access Journals (Sweden)

    Yu Wang

    2002-01-01

    Full Text Available Abstract:We investigate a theoretical model of molecular metalwire constructed from linear polynuclear metal complexes. In particular we study the linear Crn metal complex and Cr molecular metalwire. The electron density distributions of the model nanowire and the linear Crn metal complexes, with n = 3, 5, and 7, are calculated by employing CRYSTAL98 package with topological analysis. The preliminary results indicate that the bonding types between any two neighboring Cr are all the same, namely the polarized open-shell interaction. The pattern of electron density distribution in metal complexes resembles that of the model Cr nanowire as the number of metal ions increases. The conductivity of the model Cr nanowire is also tested by performing the band structure calculation.

  18. A Compact Narrow-Band Bandstop Filter Using Spiral-Shaped Defected Microstrip Structure

    Directory of Open Access Journals (Sweden)

    J. Wang

    2014-04-01

    Full Text Available A novel compact narrow-band bandstop filter is implemented by using the proposed spiral-shaped defected microstrip structure (SDMS in this paper. Compared with other DMSs, the presented SDMS exhibits the advantage of compact size and narrow stopband. Meanwhile, an approximate design rule of the SDMS is achieved and the effects of the dimensions on the resonant frequency and 3 dB fractional bandwidth (FBW are analyzed in detail. Both the simulation and measurement results of the fabricated bandstop filter show that it has a 10 dB stopband from 3.4 GHz to 3.6 GHz with more than 45 dB rejection at the center frequency.

  19. Total binding energy via the band structure energy of 4d group transition metals

    International Nuclear Information System (INIS)

    The binding in metals provides a basis genesis to discuss the cohesive, elastic, lattice dynamical and other allied properties of the metals. A thorough and comprehensive analysis with regard to (i) various energy terms contributing to total metallic bonding, (ii) forms of the model potential incurring the band structure part of the binding, (iii) implication of s-d hybridization and (iv) effect of electron screening, has prompted us to undertake the present study of binding in several complex metals which turn out to be superconducting at low temperatures and bear hcp, bcc and fcc configurations at room temperature i.e. yttrium (Y), zirconium (Zr), niobium (Nb), molybdenum (Mo), ruthenium (Ru), rhodium (Rh) and palladium (Pd). (author). 13 refs., 2 figs., 2 tabs

  20. Dual-band bandpass terahertz wave filter based on microstrip resonant structure

    Science.gov (United States)

    Liu, Yu-hang; Li, Jiu-sheng

    2012-03-01

    The terahertz (THz) band, which refers to the spectral region between 0.1 and 10THz, covers the fingerprints of many chemical and biological materials. Within the past few years, there are increasing demands for experiments in terahertz frequencies, in different areas such as biotechnology, nanotechnology, space science, security, chemical and biological sensing, terahertz wave communications, and medical diagnostics. For potential applications, the functional devices, such as beam polarizers, switchs and filters, are crucial components for a terahertz system. Terahertz wave filter based on two kinds of microstrip resonant structures, has been characterized by terahertz time-domain spectroscopy in the region from 0.1 to 3THz. The experimental results for the frequency dependence of the transmittance of the terahertz wave filter show that the terahertz wave transmittance peak is of 79.5% at 0.5THz and 82.5% at 0.81THz.

  1. The effect of spin-orbit coupling in band structure and edge states of bilayer graphene

    Energy Technology Data Exchange (ETDEWEB)

    Sahdan, Muhammad Fauzi; Darma, Yudi, E-mail: yudi@fi.itb.ac.id [Department of Physics, InstitutTeknologi Bandung, Jalan Ganesa 10, Bandung 40132 (Indonesia)

    2015-04-16

    Topological insulators are predicted to be useful ranging from spintronics to quantum computation. Graphene was first predicted to be the precursor of topological insulator by Kane-Mele. They developed a Hamiltonian model to describe the gap opening in graphene. In this work, we investigate the band structure of bilayer grapheme and also its edge states by using this model with analytical approach. The results of our calculation show that the gap opening occurs at K and K’ point in bilayer graphene.In addition, a pair of gapless edge modes occurs both in the zigzag and arm-chair configurations are no longer exist. There are gap created at the edge even though thery are very small.

  2. Surface waves in oversized G-band slow-wave structures with rectangular corrugations

    International Nuclear Information System (INIS)

    Surface waves in oversized G-band slow-wave structure with rectangularly corrugated wall are analyzed numerically. The inner corrugation generates cylindrical surface wave. The outer corrugation also generates transverse magnetic surface wave. The upper cut-offs of surface waves are controlled by corrugation amplitude. In excitation of the surface waves by an annular electron beam, the slow cyclotron interaction as well as the Cherenkov interaction occur due to there-dimensional beam perturbations. The slow cyclotron interaction merges with the Cherenkov interaction at lower magnetic field. The merged growth rate is enhanced by 13% as compared to the isolated Cherenkov growth rate. The surface waves on inner and outer corrugations can have different frequencies and can be excited selectively by adjusting the beam radius of the electron beam. (author)

  3. Band structure engineering of graphene by a local gate defined periodic potential

    Science.gov (United States)

    Forsythe, Carlos; Maher, Patrick; Scarabelli, Diego; Dean, Cory; Kim, Philip

    Recent improvements in 2-dimensional (2D) material layering have resulted in enhanced device quality and created pathways for new device architectures. We fabricate periodic arrays from a patterned local back gate and a uniform top gate on hBN encapsulated graphene channels. The symmetry and lattice size of the periodic potential can be determined by state-of-art electron beam lithography and etching, achieving a lattice constant of 35 nm. The strength of the electric potential modulation can be controlled through applied voltage on the patterned gate. We observe signatures of superlattice modulation near the main Dirac peak in the density dependent resistance measurement at zero magnetic field. Current studies focus on the exploration of Hofstadter fractal band structures under magnetic fields. Our nano-patterned engineered superlattices on graphene hold great promise for wider applications.

  4. Single and Multipolarimetric P-Band SAR Tomography of Subsurface Ice Structure

    DEFF Research Database (Denmark)

    Banda, Francesco; Dall, Jørgen; Tebaldini, Stefano

    2016-01-01

    was motivated by the fact that cryospheric remote sensing is of fundamental importance in order to understand more in depth the morphology and the dynamic processes regulating ice sheets. The main objective of the tomographic experiment of the campaign herein discussed was indeed to assess the......In this paper, first results concerning the characterization of the subsurface of ice sheets and glaciers through single and multipolarization synthetic aperture radar (SAR) tomography (TomoSAR) are illustrated. To this aim, the processing of data acquired in the framework of the European Space...... capability of P-band SAR to retrieve any information about ice subsurface structure. Imaging has been achieved through TomoSAR techniques, applied to airborne multibaseline data acquired in the southwest of Greenland. Different imaging approaches are compared, and the main results achieved are presented: It...

  5. The effect of spin-orbit coupling in band structure and edge states of bilayer graphene

    International Nuclear Information System (INIS)

    Topological insulators are predicted to be useful ranging from spintronics to quantum computation. Graphene was first predicted to be the precursor of topological insulator by Kane-Mele. They developed a Hamiltonian model to describe the gap opening in graphene. In this work, we investigate the band structure of bilayer grapheme and also its edge states by using this model with analytical approach. The results of our calculation show that the gap opening occurs at K and K’ point in bilayer graphene.In addition, a pair of gapless edge modes occurs both in the zigzag and arm-chair configurations are no longer exist. There are gap created at the edge even though thery are very small

  6. Band structure of semiconductor compounds of Mg sub 2 Si and Mg sub 2 Ge with strained crystal lattice

    CERN Document Server

    Krivosheeva, A V; Shaposhnikov, V L; Krivosheev, A E; Borisenko, V E

    2002-01-01

    The effect of isotopic and unaxial deformation of the crystal lattice on the electronic band structure of indirect band gap semiconductors Mg sub 2 Si and Mg sub 2 Ge has been simulated by means of the linear augmented plane wave method. The reduction of the lattice constant down to 95 % results in a linear increase of the direct transition in magnesium silicide by 48%. The stresses arising under unaxial deformation shift the bands as well as result in splitting of degenerated states. The dependence of the interband transitions on the lattice deformation is nonlinear in this case

  7. Probing the graphite band structure with resonant soft-x-ray fluorescence

    Energy Technology Data Exchange (ETDEWEB)

    Carlisle, J.A.; Shirley, E.L.; Hudson, E.A. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    Soft x-ray fluorescence (SXF) spectroscopy using synchrotron radiation offers several advantages over surface sensitive spectroscopies for probing the electronic structure of complex multi-elemental materials. Due to the long mean free path of photons in solids ({approximately}1000 {angstrom}), SXF is a bulk-sensitive probe. Also, since core levels are involved in absorption and emission, SXF is both element- and angular-momentum-selective. SXF measures the local partial density of states (DOS) projected onto each constituent element of the material. The chief limitation of SXF has been the low fluorescence yield for photon emission, particularly for light elements. However, third generation light sources, such as the Advanced Light Source (ALS), offer the high brightness that makes high-resolution SXF experiments practical. In the following the authors utilize this high brightness to demonstrate the capability of SXF to probe the band structure of a polycrystalline sample. In SXF, a valence emission spectrum results from transitions from valence band states to the core hole produced by the incident photons. In the non-resonant energy regime, the excitation energy is far above the core binding energy, and the absorption and emission events are uncoupled. The fluorescence spectrum resembles emission spectra acquired using energetic electrons, and is insensitive to the incident photon`s energy. In the resonant excitation energy regime, core electrons are excited by photons to unoccupied states just above the Fermi level (EF). The absorption and emission events are coupled, and this coupling manifests itself in several ways, depending in part on the localization of the empty electronic states in the material. Here the authors report spectral measurements from highly oriented pyrolytic graphite.

  8. Vibrational dynamics and band structure of methyl-terminated Ge(111)

    Energy Technology Data Exchange (ETDEWEB)

    Hund, Zachary M.; Nihill, Kevin J.; Sibener, S. J., E-mail: s-sibener@uchicago.edu [The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57" t" h Street, Chicago, Illinois 60637 (United States); Campi, Davide; Bernasconi, M. [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Wong, Keith T.; Lewis, Nathan S. [Division of Chemistry and Chemical Engineering, Beckman Institute and Kavli Nanoscience Institute, California Institute of Technology, 210 Noyes Laboratory, 127-72, Pasadena, California 91125 (United States); Benedek, G. [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Donostia International Physics Center (DIPC), Universidad del País Vasco (EHU), 20018 Donostia/San Sebastian (Spain)

    2015-09-28

    A combined synthesis, experiment, and theory approach, using elastic and inelastic helium atom scattering along with ab initio density functional perturbation theory, has been used to investigate the vibrational dynamics and band structure of a recently synthesized organic-functionalized semiconductor interface. Specifically, the thermal properties and lattice dynamics of the underlying Ge(111) semiconductor crystal in the presence of a commensurate (1 × 1) methyl adlayer were defined for atomically flat methylated Ge(111) surfaces. The mean-square atomic displacements were evaluated by analysis of the thermal attenuation of the elastic He diffraction intensities using the Debye-Waller model, revealing an interface with hybrid characteristics. The methyl adlayer vibrational modes are coupled with the Ge(111) substrate, resulting in significantly softer in-plane motion relative to rigid motion in the surface normal. Inelastic helium time-of-flight measurements revealed the excitations of the Rayleigh wave across the surface Brillouin zone, and such measurements were in agreement with the dispersion curves that were produced using density functional perturbation theory. The dispersion relations for H-Ge(111) indicated that a deviation in energy and lineshape for the Rayleigh wave was present along the nearest-neighbor direction. The effects of mass loading, as determined by calculations for CD{sub 3}-Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH{sub 3}-Ge(111) and CH{sub 3}-Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers.

  9. Vibrational dynamics and band structure of methyl-terminated Ge(111)

    International Nuclear Information System (INIS)

    A combined synthesis, experiment, and theory approach, using elastic and inelastic helium atom scattering along with ab initio density functional perturbation theory, has been used to investigate the vibrational dynamics and band structure of a recently synthesized organic-functionalized semiconductor interface. Specifically, the thermal properties and lattice dynamics of the underlying Ge(111) semiconductor crystal in the presence of a commensurate (1 × 1) methyl adlayer were defined for atomically flat methylated Ge(111) surfaces. The mean-square atomic displacements were evaluated by analysis of the thermal attenuation of the elastic He diffraction intensities using the Debye-Waller model, revealing an interface with hybrid characteristics. The methyl adlayer vibrational modes are coupled with the Ge(111) substrate, resulting in significantly softer in-plane motion relative to rigid motion in the surface normal. Inelastic helium time-of-flight measurements revealed the excitations of the Rayleigh wave across the surface Brillouin zone, and such measurements were in agreement with the dispersion curves that were produced using density functional perturbation theory. The dispersion relations for H-Ge(111) indicated that a deviation in energy and lineshape for the Rayleigh wave was present along the nearest-neighbor direction. The effects of mass loading, as determined by calculations for CD3-Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH3-Ge(111) and CH3-Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers

  10. Correlation between morphology, electron band structure, and resistivity of Pb atomic chains on the Si(5 5 3)-Au surface.

    Science.gov (United States)

    Jałochowski, M; Kwapiński, T; Łukasik, P; Nita, P; Kopciuszyński, M

    2016-07-20

    Structural and electron transport properties of multiple Pb atomic chains fabricated on the Si(5 5 3)-Au surface are investigated using scanning tunneling spectroscopy, reflection high electron energy diffraction, angular resolved photoemission electron spectroscopy and in situ electrical resistance. The study shows that Pb atomic chains growth modulates the electron band structure of pristine Si(5 5 3)-Au surface and hence changes its sheet resistivity. Strong correlation between chains morphology, electron band structure and electron transport properties is found. To explain experimental findings a theoretical tight-binding model of multiple atomic chains interacting on effective substrate is proposed. PMID:27228462

  11. On the Suppression Band and Bandgap of Planar Electromagnetic Bandgap Structures

    Directory of Open Access Journals (Sweden)

    Baharak Mohajer-Iravani

    2014-01-01

    Full Text Available Electromagnetic bandgap structures are considered a viable solution for the problem of switching noise in printed circuit boards and packages. Less attention, however, has been given to whether or not the introduction of EBGs affects the EMI potential of the circuit to couple unwanted energy to neighboring layers or interconnects. In this paper, we show that the bandgap of EBG structures, as generated using the Brillouin diagram, does not necessarily correspond to the suppression bandwidth typically generated using S-parameters. We show that the reactive near fields radiating from openings within the EBG layers can be substantial and are present in the entire frequency band including propagating and nonpropagating mode regions. These fields decay fast with distance; however, they can couple significant energy to adjacent layers and to signal lines. The findings are validated using full-wave three-dimensional numerical simulation. Based on this work, design guidelines for EBG structures can be drawn to insure not only suppression of switching noise but also minimization of EMI and insuring signal integrity.

  12. Investigation of the vertical structure of clouds over the Western Ghats, India using X-band and Ka-band Doppler radar observations

    Science.gov (United States)

    Das, Subrata Kumar

    Investigation of the vertical structure of clouds over the Western Ghats, India using X-band and Ka-band Doppler radar observations Subrata Kumar Das*, S. M. Deshpande, K. Chakravarty and M. C. R. Kalapureddy Indian Institute of Tropical Meteorology, Pune, India ABSTRACT The Western Ghats (WGs) located parallel to the west coast of India receives a huge amount of rainfall during the Indian summer monsoon (ISM) in which topography plays a huge role in it. To understand the dynamics and microphysics of monsoon precipitating clouds over the WGs, a High Altitude Cloud Physics Laboratory (HACPL) has been setup at Mahabaleshwar (17.92 oN, 73.6 oE, ~1.4 km AMSL) in 2012. As part of this laboratory, a mobile X-band (9.5 GHz) and Ka-band (35.29 GHz) dual-polarization Doppler weather radar system is installed at Mandhardev (18.04 oN, 73.87 oE, ~1.3 km AMSL, at 26 km radial distance from the HACPL). The X-band radar shows the dominant cloud movement is from the western side of the WGs to the eastern side, crossing the HACPL and the radar site. The cloud occurrence statistics show a sudden reduction within a distance of ~30 km on the eastern side of WGs indicates the possibility of a rain shadow area. Further, we investigate the vertical structure of cloud over the HACPL, and identified four cloud modes viz., shallow cumulus mode, congestus mode, deep convective mode, and overshooting convection mode. The frequency distribution of cloud-cell base height (CBH) and cloud-cell top height (CTH) shows most of the clouds with base below 2.5 km and tops usually not exceeding 9 km. This indicates the dominance of warm-rain process in the WGs region. The positive relationships between surface rainfall rates and CTH and 0oC isotherm level have observed. Details will be presented in the upcoming symposium.

  13. Electronic structure of MoSe2, MoS2, and WSe2. I. Band-structure calculations and photoelectron spectroscopy

    OpenAIRE

    Coehoorn, R.; Haas, C.; Dijkstra, J.; Flipse, C.J.F.; de Groot, R. A.; Wold, A.

    1987-01-01

    The band structures of the semiconducting layered compounds MoSe2, MoS2, and WSe2 have been calculated self-consistently with the augmented-spherical-wave method. Angle-resolved photoelectron spectroscopy of MoSe2 using He I, He II, and Ne I radiation, and photon-energy-dependent normal-emission photoelectron spectroscopy using synchrotron radiation, show that the calculational results give a good description of the valence-band structure. At about 1 eV below the top of the valence band a dis...

  14. Enlargement of the band gaps of water waves over one-dimensional combination bottom structures

    International Nuclear Information System (INIS)

    The phenomena of band gaps and propagation of water waves over one-dimensional periodic bottoms and combination bottoms is investigated by the transfer matrix method. For the periodic bottoms (PBs), the effect of the steps' numbers, their height and width on the band gaps are discussed, respectively. For two kinds of combination periodic-bottoms (CPBs), namely height-CPBs and width-CPBs, both corresponding whole band gaps are gained, respectively. Each of whole band gaps is the juxtaposition of the gaps of two kind of PBs, without covering. The numerical results show that the band gaps could be enlarged effectively by choosing the steps' height or width properly

  15. Electronic band structure of ZnO-rich highly mismatched ZnO1−xTex alloys

    International Nuclear Information System (INIS)

    We synthesized ZnO1−xTex alloys with Te composition x < 0.23 by using pulsed laser deposition. Alloys with x < 0.06 are crystalline with a columnar growth structure while samples with higher Te content are polycrystalline with random grain orientation. Electron microscopy images show a random distribution of Te atoms with no observable clustering. We found that the incorporation of a small concentration of Te (x ∼ 0.003) redshifts the ZnO optical absorption edge by more than 1 eV. The minimum band gap obtained in this work is 1.8 eV for x = 0.23. The optical properties of the alloys are explained by the modification of the valence band of ZnO, due to the anticrossing interactions of the localized Te states with the ZnO valence band extended states. Hence, the observed large band gap reduction is primarily originating from the upward shift of the valence band edge. We show that the optical data can be explained by the band anticrossing model with the localized level of Te located at 0.95 eV above the ZnO valence band and the band anticrossing coupling constant of 1.35 eV. These parameters allow the prediction of the compositional dependence of the band gap as well as the conduction and the valence band offsets in the full composition range of ZnO1−xTex alloys

  16. Analyzing the photonic band gaps in two-dimensional plasma photonic crystals with fractal Sierpinski gasket structure based on the Monte Carlo method

    Directory of Open Access Journals (Sweden)

    Hai-Feng Zhang

    2016-08-01

    Full Text Available In this paper, the properties of photonic band gaps (PBGs in two types of two-dimensional plasma-dielectric photonic crystals (2D PPCs under a transverse-magnetic (TM wave are theoretically investigated by a modified plane wave expansion (PWE method where Monte Carlo method is introduced. The proposed PWE method can be used to calculate the band structures of 2D PPCs which possess arbitrary-shaped filler and any lattice. The efficiency and convergence of the present method are discussed by a numerical example. The configuration of 2D PPCs is the square lattices with fractal Sierpinski gasket structure whose constituents are homogeneous and isotropic. The type-1 PPCs is filled with the dielectric cylinders in the plasma background, while its complementary structure is called type-2 PPCs, in which plasma cylinders behave as the fillers in the dielectric background. The calculated results reveal that the enough accuracy and good convergence can be obtained, if the number of random sampling points of Monte Carlo method is large enough. The band structures of two types of PPCs with different fractal orders of Sierpinski gasket structure also are theoretically computed for a comparison. It is demonstrate that the PBGs in higher frequency region are more easily produced in the type-1 PPCs rather than in the type-2 PPCs. Sierpinski gasket structure introduced in the 2D PPCs leads to a larger cutoff frequency, enhances and induces more PBGs in high frequency region. The effects of configurational parameters of two types of PPCs on the PBGs are also investigated in detail. The results show that the PBGs of the PPCs can be easily manipulated by tuning those parameters. The present type-1 PPCs are more suitable to design the tunable compacted devices.

  17. Efficient Multicriteria Protein Structure Comparison on Modern Processor Architectures.

    Science.gov (United States)

    Sharma, Anuj; Manolakos, Elias S

    2015-01-01

    Fast increasing computational demand for all-to-all protein structures comparison (PSC) is a result of three confounding factors: rapidly expanding structural proteomics databases, high computational complexity of pairwise protein comparison algorithms, and the trend in the domain towards using multiple criteria for protein structures comparison (MCPSC) and combining results. We have developed a software framework that exploits many-core and multicore CPUs to implement efficient parallel MCPSC in modern processors based on three popular PSC methods, namely, TMalign, CE, and USM. We evaluate and compare the performance and efficiency of the two parallel MCPSC implementations using Intel's experimental many-core Single-Chip Cloud Computer (SCC) as well as Intel's Core i7 multicore processor. We show that the 48-core SCC is more efficient than the latest generation Core i7, achieving a speedup factor of 42 (efficiency of 0.9), making many-core processors an exciting emerging technology for large-scale structural proteomics. We compare and contrast the performance of the two processors on several datasets and also show that MCPSC outperforms its component methods in grouping related domains, achieving a high F-measure of 0.91 on the benchmark CK34 dataset. The software implementation for protein structure comparison using the three methods and combined MCPSC, along with the developed underlying rckskel algorithmic skeletons library, is available via GitHub. PMID:26605332

  18. Band Structure Analysis of La0.7Sr0.3MnO3 Perovskite Manganite Using a Synchrotron

    Directory of Open Access Journals (Sweden)

    Hong-Sub Lee

    2015-01-01

    Full Text Available Oxide semiconductors and their application in next-generation devices have received a great deal of attention due to their various optical, electric, and magnetic properties. For various applications, an understanding of these properties and their mechanisms is also very important. Various characteristics of these oxides originate from the band structure. In this study, we introduce a band structure analysis technique using a soft X-ray energy source to study a La0.7Sr0.3MnO3 (LSMO oxide semiconductor. The band structure is formed by a valence band, conduction band, band gap, work function, and electron affinity. These can be determined from secondary electron cut-off, valence band spectrum, O 1s core electron, and O K-edge measurements using synchrotron radiation. A detailed analysis of the band structure of the LSMO perovskite manganite oxide semiconductor thin film was established using these techniques.

  19. Comparison of perceived value structural models

    Directory of Open Access Journals (Sweden)

    Sunčana Piri Rajh

    2012-07-01

    Full Text Available Perceived value has been considered an important determinant of consumer shopping behavior and studied as such for a long period of time. According to one research stream, perceived value is a variable determined by perceived quality and perceived sacrifice. Another research stream suggests that the perception of value is a result of the consumer risk perception. This implies the presence of two somewhat independent research streams that are integrated by a third research stream – the one suggesting that perceived value is a result of perceived quality and perceived sacrifices while perceived (performance and financial risk mediates the relationship between perceived quality and perceived sacrifices on the one hand, and perceived value on the other. This paper describes the three approaches (models that have been mentioned. The aim of the paper is to determine which of the observed models show the most acceptable level of fit to the empirical data. Using the survey method, research involving three product categories has been conducted on a sample of Croatian consumers. Collected data was analyzed by the structural equation modeling (SEM method. Research has shown an appropriate level of fit of each observed model to the empirical data. However, the model measuring the effect of perceived risk on perceived value indicates the best level of fit, which implies that perceived performance risk and perceived financial risk are the best predictors of perceived value.

  20. Large-area 2D periodic crystalline silicon nanodome arrays on nanoimprinted glass exhibiting photonic band structure effects

    International Nuclear Information System (INIS)

    Two-dimensional silicon nanodome arrays are prepared on large areas up to 50 cm2 exhibiting photonic band structure effects in the near-infrared and visible wavelength region by downscaling a recently developed fabrication method based on nanoimprint-patterned glass, high-rate electron-beam evaporation of silicon, self-organized solid phase crystallization and wet-chemical etching. The silicon nanodomes, arranged in square lattice geometry with 300 nm lattice constant, are optically characterized by angular resolved reflection measurements, allowing the partial determination of the photonic band structure. This experimentally determined band structure agrees well with the outcome of three-dimensional optical finite-element simulations. A 16% photonic bandgap is predicted for an optimized geometry of the silicon nanodome arrays. By variation of the duration of the selective etching step, the geometry as well as the optical properties of the periodic silicon nanodome arrays can be controlled systematically. (paper)

  1. Detecting forest structure and biomass with C-band multipolarization radar - Physical model and field tests

    Science.gov (United States)

    Westman, Walter E.; Paris, Jack F.

    1987-01-01

    The ability of C-band radar (4.75 GHz) to discriminate features of forest structure, including biomass, is tested using a truck-mounted scatterometer for field tests on a 1.5-3.0 m pygmy forest of cypress (Cupressus pygmaea) and pine (Pinus contorta ssp, Bolanderi) near Mendocino, CA. In all, 31 structural variables of the forest are quantified at seven sites. Also measured was the backscatter from a life-sized physical model of the pygmy forest, composed of nine wooden trees with 'leafy branches' of sponge-wrapped dowels. This model enabled independent testing of the effects of stem, branch, and leafy branch biomass, branch angle, and moisture content on radar backscatter. Field results suggested that surface area of leaves played a greater role in leaf scattering properties than leaf biomass per se. Tree leaf area index was strongly correlated with vertically polarized power backscatter (r = 0.94; P less than 0.01). Field results suggested that the scattering role of leaf water is enhanced as leaf surface area per unit leaf mass increases; i.e., as the moist scattering surfaces become more dispersed. Fog condensate caused a measurable rise in forest backscatter, both from surface and internal rises in water content. Tree branch mass per unit area was highly correlated with cross-polarized backscatter in the field (r = 0.93; P less than 0.01), a result also seen in the physical model.

  2. Structure of the doubly odd nucleus sup 1 sup 8 sup 0 Ta Description of 23 bands

    CERN Document Server

    Saitoh, T R; Sletten, G; Bark, R A; Toermaenen, S; Bergström, M H; Furuno, K; Furutaka, K; Hagemann, G B; Hayakawa, T; Komatsubara, T; Maj, A; Mitarai, S; Oshima, M; Sampson, J; Shizuma, T; Varmette, P G

    1999-01-01

    The structure of the doubly-odd nucleus sup 1 sup 8 sup 0 Ta has been studied by gamma-gamma coincidence measurements with a DC beam at 52 and 57 MeV and time-correlated gamma-gamma coincidence measurements with a pulsed beam at 55 MeV via the sup 1 sup 7 sup 6 Yb( sup 1 sup 1 B, alpha 3n) sup 1 sup 8 sup 0 Ta reaction. In all measurements, gamma-rays were detected in coincidence with charged particles. In the time-correlated gamma-gamma coincidence measurements with a pulsed sup 1 sup 1 B beam, three rotational bands and one octupole vibrational band have been identified above the I suppi=15 sup - T sub 1 sub / sub 2 =30 mu s isomer. The configuration of three bands built on 8 sup + states has been discussed by means of three-band mixing calculations. BCS calculations with blocking have been used in support of configuration assignment of four- and six-quasiparticle structures. Totally, 19 rotational bands, one beta-, one gamma- and two octupole-vibrational bands, plus one intrinsic state have been identified...

  3. BRASERO: A Resource for Benchmarking RNA Secondary Structure Comparison Algorithms

    OpenAIRE

    Chauve, Cedric; Allali, Julien; Saule, Cedric

    2012-01-01

    The pairwise comparison of RNA secondary structures is a fundamental problem, with direct application in mining databases for annotating putative noncoding RNA candidates in newly sequenced genomes. An increasing number of software tools are available for comparing RNA secondary structures, based on different models (such as ordered trees or forests, arc annotated sequences, and multilevel trees) and computational principles (edit distance, alignment). We describe here the website BRASERO tha...

  4. BRASERO: A Resource for Benchmarking RNA Secondary Structure Comparison Algorithms.

    Science.gov (United States)

    Allali, Julien; Saule, Cédric; Chauve, Cédric; d'Aubenton-Carafa, Yves; Denise, Alain; Drevet, Christine; Ferraro, Pascal; Gautheret, Daniel; Herrbach, Claire; Leclerc, Fabrice; de Monte, Antoine; Ouangraoua, Aida; Sagot, Marie-France; Termier, Michel; Thermes, Claude; Touzet, Hélène

    2012-01-01

    The pairwise comparison of RNA secondary structures is a fundamental problem, with direct application in mining databases for annotating putative noncoding RNA candidates in newly sequenced genomes. An increasing number of software tools are available for comparing RNA secondary structures, based on different models (such as ordered trees or forests, arc annotated sequences, and multilevel trees) and computational principles (edit distance, alignment). We describe here the website BRASERO that offers tools for evaluating such software tools on real and synthetic datasets. PMID:22675348

  5. Efficient Multicriteria Protein Structure Comparison on Modern Processor Architectures

    Directory of Open Access Journals (Sweden)

    Anuj Sharma

    2015-01-01

    F-measure of 0.91 on the benchmark CK34 dataset. The software implementation for protein structure comparison using the three methods and combined MCPSC, along with the developed underlying rckskel algorithmic skeletons library, is available via GitHub.

  6. Structural footprinting in protein structure comparison: the impact of structural fragments

    Directory of Open Access Journals (Sweden)

    Wilbur W John

    2007-08-01

    Full Text Available Abstract Background One approach for speeding-up protein structure comparison is the projection approach, where a protein structure is mapped to a high-dimensional vector and structural similarity is approximated by distance between the corresponding vectors. Structural footprinting methods are projection methods that employ the same general technique to produce the mapping: first select a representative set of structural fragments as models and then map a protein structure to a vector in which each dimension corresponds to a particular model and "counts" the number of times the model appears in the structure. The main difference between any two structural footprinting methods is in the set of models they use; in fact a large number of methods can be generated by varying the type of structural fragments used and the amount of detail in their representation. How do these choices affect the ability of the method to detect various types of structural similarity? Results To answer this question we benchmarked three structural footprinting methods that vary significantly in their selection of models against the CATH database. In the first set of experiments we compared the methods' ability to detect structural similarity characteristic of evolutionarily related structures, i.e., structures within the same CATH superfamily. In the second set of experiments we tested the methods' agreement with the boundaries imposed by classification groups at the Class, Architecture, and Fold levels of the CATH hierarchy. Conclusion In both experiments we found that the method which uses secondary structure information has the best performance on average, but no one method performs consistently the best across all groups at a given classification level. We also found that combining the methods' outputs significantly improves the performance. Moreover, our new techniques to measure and visualize the methods' agreement with the CATH hierarchy, including the

  7. A flexible Bloch mode method for computing complex band structures and impedances of two-dimensional photonic crystals

    CERN Document Server

    Lawrence, Felix J; Dossou, Kokou B; McPhedran, R C; de Sterke, C Martijn

    2011-01-01

    We present a flexible method that can calculate Bloch modes, complex band structures, and impedances of two-dimensional photonic crystals from scattering data produced by widely available numerical tools. The method generalizes previous work which relied on specialized multipole and FEM techniques underpinning transfer matrix methods. We describe the numerical technique for mode extraction, and apply it to calculate a complex band structure and to design two photonic crystal antireflection coatings. We do this for frequencies at which other methods fail, but which nevertheless are of significant practical interest.

  8. New method for computation of band structures in 1D photonic crystals based on the Fresnel equations

    Science.gov (United States)

    Roshan Entezar, S.

    2013-02-01

    In this paper, we present a new method for calculation of band structure in one-dimensional bilayer photonic crystals, based on the Fresnel equations. We derive a new relation to obtain the band structure without using the Floquet theorem. It is shown that this relation can be simplified under the assumption that the single-path phase-shift acquired through the individual layers of the photonic crystal be equal to ? . The results obtained by our method are compared with the ones obtained from the transfer matrix method to show that they are exactly identical.

  9. Band structure of cavity-type hypersonic phononic crystals fabricated by femtosecond laser-induced two-photon polymerization

    Science.gov (United States)

    Rakhymzhanov, A. M.; Gueddida, A.; Alonso-Redondo, E.; Utegulov, Z. N.; Perevoznik, D.; Kurselis, K.; Chichkov, B. N.; El Boudouti, E. H.; Djafari-Rouhani, B.; Fytas, G.

    2016-05-01

    The phononic band diagram of a periodic square structure fabricated by femtosecond laser pulse-induced two photon polymerization is recorded by Brillouin light scattering (BLS) at hypersonic (GHz) frequencies and computed by finite element method. The theoretical calculations along the two main symmetry directions quantitatively capture the band diagrams of the air- and liquid-filled structure and moreover represent the BLS intensities. The theory helps identify the observed modes, reveals the origin of the observed bandgaps at the Brillouin zone boundaries, and unravels direction dependent effective medium behavior.

  10. A High Gain & Wide Band Rectangular Microstrip Patch Antenna loaded with “Interconnected SRR” Metamaterial Structure

    OpenAIRE

    Pramod Singhal; Bimal Garg

    2012-01-01

    Communication applications require wide band and highly directive planner antennas. For such requirement this work deals with the analysis and simulation of a rectangular microstrip patch antenna loaded with “INTERCONNECTED SRR” metamaterial structure at a height of 3.2mm from the ground plane. The work also investigates the potential properties of the proposed metamaterial structure. The proposed Antenna is designed at a operating frequency of 2.75GHz to meet S-Band (2-4GHz) applications. By...

  11. Occupied and unoccupied band structure of Ag(100) determined by photoemission from Ag quantum wells and bulk samples

    International Nuclear Information System (INIS)

    Angle-resolved photoemission spectra taken from atomically uniform films of Ag on Fe(100) show layer-resolved quantum-well peaks. The measured peak positions as a function of film thickness permit a unique determination of the initial band dispersion via the Bohr-Sommerfeld quantization rule. This information, combined with normal-emission data taken from a single crystal Ag(100), leads to a unique determination of the final band dispersion. In this study, we employ a two-band model with four adjustable parameters for a simultaneous fit to these experimental results. The initial and final band dispersions deduced from the fit are accurate to better than 0.03 eV at any wave vector k within the range of measurement. The analytic formula for the band dispersions and the parameters for the best fit are given for future reference. The Fermi wave vector along [100], normalized to the Brillouin-zone size, is determined to be kF/kΓX=0.828±0.001, which is more accurate than the de Haas-van Alphen result. The corresponding Fermi velocity is νF=1.06 in units of the free-electron value. The combined reflection phase for the electron wave at the two boundaries is also deduced and compared with a semiempirical formula. This comparison allows us to deduce the edges of the hybridization gap in the Fe substrate. (c) 2000 The American Physical Society

  12. EFFECTIVENESS IN DYNAMIC BALANCE: A COMPARISON BETWEEN FOOT MUSCLE STRENGTHENING USING ELASTIC BAND AND WITHOUT ELASTIC BAND IN CHILDREN AGED 8–12 WITH FLEXIBLE FLATFEET

    OpenAIRE

    Indri Listyorini; Marietta Shanti; Tertianto Prabowo

    2015-01-01

    Objective: To compare the effects of foot muscle strengthening exercises with and without elastic band to the dynamic balance function in children aged 8–12 years with flexible flatfeet. Methods: Forty-one children (aged 8–12 years) with flexible flatfeet and dynamic balance problem were randomly allocated into either the intervention or control group. Both groups received thrice weekly training for 6 weeks. The foot strengthening exercise regimens consisted of pronation, supination, sho...

  13. Structural diversity of the 3-micron absorption band in Enceladus’ plume from Cassini VIMS: Insights into subsurface environmental conditions

    Science.gov (United States)

    Dhingra, Deepak; Hedman, Matthew M.; Clark, Roger N.

    2015-11-01

    Water ice particles in Enceladus’ plume display their diagnostic 3-micron absorption band in Cassini VIMS data. These near infrared measurements of the plume also exhibit noticeable variations in the character of this band. Mie theory calculations reveal that the shape and location of the 3-micron band are controlled by a number of environmental and structural parameters. Hence, this band provides important insights into the properties of the water ice grains and about the subsurface environmental conditions under which they formed. For example, the position of the 3-micron absorption band minimum can be used to distinguish between crystalline and amorphous forms of water ice and to constrain the formation temperature of the ice grains. VIMS data indicates that the water ice grains in the plume are dominantly crystalline which could indicate formation temperatures above 113 K [e.g. 1, 2]. However, there are slight (but observable) variations in the band minimum position and band shape that may hint at the possibility of varying abundance of amorphous ice particles within the plume. The modeling results further indicate that there are systematic shifts in band minimum position with temperature for any given form of ice but the crystalline and amorphous forms of water ice are still distinguishable at VIMS spectral resolution. Analysis of the eruptions from individual source fissures (tiger stripes) using selected VIMS observations reveal differences in the 3-micron band shape that may reflect differences in the size distributions of the water ice particles along individual fissures. Mie theory models suggest that big ice particles (>3 micron) may be an important component of the plume.[1] Kouchi, A., T. Yamamoto, T. Kozasa, T. Kuroda, and J. M. Greenberg (1994) A&A, 290, 1009-1018 [2] Mastrapa, R. M. E., W. M. Grundy, and M. S. Gudipati (2013) in M. S. Gudipati and J. Castillo-Rogez (Eds.), The Science of Solar System Ices, pp. 371.

  14. Raman scattering from layered superconductors: Effects of charge ordering, two-band superconductivity, and structural disorder

    Science.gov (United States)

    Mialitsin, Aleksej

    Subject of this dissertation is the investigation with experimental means of how the Raman response of three structurally similar materials -- MgB2, NbSe2, and CaC6 -- is affected by superconductivity (all three), charge ordering (NbSe2), or crystalline order-to-disorder phase transitions (CaC6). Universal characteristics of spectral renormalization pertaining to the superconducting phase transition are observed in all three compounds. Yet, the crystalline and electronic structures are sufficiently distinct, such that specific for each compound characteristics are imposed on this superconductivity-induced renormalization. Consequently, the method of polarized Raman scattering has been used to establish a variety of physical concepts: (1) Multi-band superconductivity in the layered superconductor MgB2 and its primary mediation by the strongly coupled 640 cm--1 E2g phonon. Additionally, it is shown how a Josephson-like coupling of two SC condensates in the reciprocal space is responsible for an exotic collective mode, the Leggett's resonance. (2) Interplay between the superconducting and the incommensurate charge-density-wave order parameters in NbSe2, which has been found to be consistent with an isotropic multi-band superconductivity scenario. This scenario is proposed in the frame of a picture that involves a combined 'superconductivity plus charge-density-wave' order parameter. (3) The Fano-Breit-Wigner line-shape formalism to account for an anti-resonance interference in the low temperature Raman response from NbSe2, in the polarization geometry corresponding to the non-symmetric E 2g symmetry channel. (4) Validity of the double resonant Raman scattering picture in the presence of disorder in the graphite intercalation compound CaC6. Simultaneously, it is explored how disorder suppresses superconductivity. To that end, the CaC6 superconducting coherence peak, too, is presented. All these phenomena are manifestations of electron-phonon coupling in solids. It is

  15. Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type

    International Nuclear Information System (INIS)

    The electronic properties of metal-organic frameworks (MOFs) are increasingly attracting the attention due to potential applications in sensor techniques and (micro-) electronic engineering, for instance, as low-k-dielectric in semiconductor technology. Here, the band gap and the band structure of MOFs of type HKUST-1 are studied in detail by means of spectroscopic ellipsometry applied to thin surface-mounted MOF films and by means of quantum chemical calculations. The analysis of the density of states, the band structure, and the excitation spectrum reveal the importance of the empty Cu-3d orbitals for the electronic properties of HKUST-1. This study shows that, in contrast to common belief, even in the case of this fairly “simple” MOF, the excitation spectra cannot be explained by a superposition of “intra-unit” excitations within the individual building blocks. Instead, “inter-unit” excitations also have to be considered

  16. Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type

    Science.gov (United States)

    Gu, Zhi-Gang; Heinke, Lars; Wöll, Christof; Neumann, Tobias; Wenzel, Wolfgang; Li, Qiang; Fink, Karin; Gordan, Ovidiu D.; Zahn, Dietrich R. T.

    2015-11-01

    The electronic properties of metal-organic frameworks (MOFs) are increasingly attracting the attention due to potential applications in sensor techniques and (micro-) electronic engineering, for instance, as low-k-dielectric in semiconductor technology. Here, the band gap and the band structure of MOFs of type HKUST-1 are studied in detail by means of spectroscopic ellipsometry applied to thin surface-mounted MOF films and by means of quantum chemical calculations. The analysis of the density of states, the band structure, and the excitation spectrum reveal the importance of the empty Cu-3d orbitals for the electronic properties of HKUST-1. This study shows that, in contrast to common belief, even in the case of this fairly "simple" MOF, the excitation spectra cannot be explained by a superposition of "intra-unit" excitations within the individual building blocks. Instead, "inter-unit" excitations also have to be considered.

  17. Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Zhi-Gang [Institut für Funktionelle Grenzflächen (IFG), Karlsruher Institut für Technologie (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, 350002 Fuzhou (China); Heinke, Lars, E-mail: Lars.Heinke@KIT.edu; Wöll, Christof [Institut für Funktionelle Grenzflächen (IFG), Karlsruher Institut für Technologie (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Neumann, Tobias; Wenzel, Wolfgang; Li, Qiang; Fink, Karin [Institute of Nanotechnology (INT), Karlsruher Institut für Technologie (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Gordan, Ovidiu D.; Zahn, Dietrich R. T. [Semiconductor Physics, Technische Universität Chemnitz, 09107 Chemnitz (Germany)

    2015-11-02

    The electronic properties of metal-organic frameworks (MOFs) are increasingly attracting the attention due to potential applications in sensor techniques and (micro-) electronic engineering, for instance, as low-k-dielectric in semiconductor technology. Here, the band gap and the band structure of MOFs of type HKUST-1 are studied in detail by means of spectroscopic ellipsometry applied to thin surface-mounted MOF films and by means of quantum chemical calculations. The analysis of the density of states, the band structure, and the excitation spectrum reveal the importance of the empty Cu-3d orbitals for the electronic properties of HKUST-1. This study shows that, in contrast to common belief, even in the case of this fairly “simple” MOF, the excitation spectra cannot be explained by a superposition of “intra-unit” excitations within the individual building blocks. Instead, “inter-unit” excitations also have to be considered.

  18. Surface Analysis of OFE-Copper X-Band Accelerating Structures and Possible Correlation to RF Breakdown Events

    CERN Document Server

    Harvey, S E; Kirby, R E; Marcelja, F; Adamson, K; Garwin, E L

    2003-01-01

    X-band accelerator structures meeting the Next Linear Collider (NLC) design requirements have been found to suffer vacuum surface damage caused by radio frequency (RF) breakdown, when processed to high electric-field gradients. Improved understanding of these breakdown events is desirable for the development of structure designs, fabrication procedures, and processing techniques that minimize structure damage. RF reflected wave analysis and acoustic sensor pickup have provided breakdowns localization in RF structures. Particle contaminations found following clean autopsy of four RF-processed travelling wave structures, have been catalogued and analyzed. Their influence on RF breakdown, as well as that of several other material-based properties, will be discussed.

  19. Microscopic nuclear structure models and methods: chiral symmetry, wobbling motion and γ–bands

    Science.gov (United States)

    Sheikh, Javid A.; Bhat, Gowhar H.; Dar, Waheed A.; Jehangir, Sheikh; Ganai, Prince A.

    2016-06-01

    A systematic investigation of the nuclear observables related to the triaxial degree of freedom is presented using the multi-quasiparticle triaxial projected shell model (TPSM) approach. These properties correspond to the observation of γ-bands, chiral doublet bands and the wobbling mode. In the TPSM approach, γ-bands are built on each quasiparticle configuration and it is demonstrated that some observations in high-spin spectroscopy that have remained unresolved for quite some time could be explained by considering γ-bands based on two-quasiparticle configurations. It is shown in some Ce-, Nd- and Ge-isotopes that the two observed aligned or s-bands originate from the same intrinsic configuration with one of them as the γ-band based on a two-quasiparticle configuration. In the present work, we have also performed a detailed study of γ-bands observed up to the highest spin in dysposium, hafnium, mercury and uranium isotopes. Furthermore, several measurements related to chiral symmetry breaking and wobbling motion have been reported recently. These phenomena, which are possible only for triaxial nuclei, have been investigated using the TPSM approach. It is shown that doublet bands observed in lighter odd–odd Cs-isotopes can be considered as candidates for chiral symmetry breaking. Transverse wobbling motion recently observed in 135Pr has also been investigated and it is shown that TPSM approach provides a reasonable description of the measured properties.

  20. Electronic band structures of AV2 (A = Ta, Ti, Hf and Nb) Laves phase compounds

    International Nuclear Information System (INIS)

    First-principles density functional calculations, using the all-electron full potential linearized augmented plane wave method, have been performed in order to investigate the structural and electronic properties for Laves phase AV2 (A = Ta, Ti, Hf and Nb) compounds. The generalized gradient approximation and the Engel-Vosko-generalized gradient approximation were used. Our calculations show that these compounds are metallic with more bands cutting the Fermi energy (EF) as we move from Nb to Ta, Hf and Ti, consistent with the increase in the values of the density of states at the Fermi level N(EF). N(EF) is controlled by the overlapping of V-p/d, A-d and A-p states around the Fermi energy. The ground state properties of these compounds, such as equilibrium lattice constant, are calculated and compared with the available literature. There is a strong/weak hybridization between the states, V-s states are strongly hybridized with A-s states below and above EF. Around the Fermi energy we notice that V-p shows strong hybridization with A-p states.

  1. The electronic band structures of gadolinium chalcogenides: a first-principles prediction for neutron detecting.

    Science.gov (United States)

    Li, Kexue; Liu, Lei; Yu, Peter Y; Chen, Xiaobo; Shen, D Z

    2016-05-11

    By converting the energy of nuclear radiation to excited electrons and holes, semiconductor detectors have provided a highly efficient way for detecting them, such as photons or charged particles. However, for detecting the radiated neutrons, those conventional semiconductors hardly behave well, as few of them possess enough capability for capturing these neutral particles. While the element Gd has the highest nuclear cross section, here for searching proper neutron-detecting semiconductors, we investigate theoretically the Gd chalcogenides whose electronic band structures have never been characterized clearly. Among them, we identify that γ-phase Gd2Se3 should be the best candidate for neutron detecting since it possesses not only the right bandgap of 1.76 eV for devices working under room temperature but also the desired indirect gap nature for charge carriers surviving longer. We propose further that semiconductor neutron detectors with single-neutron sensitivity can be realized with such a Gd-chalcogenide on the condition that their crystals can be grown with good quality. PMID:27049355

  2. ANOTHER LOOK AT THE EASTERN BANDED STRUCTURE: A STELLAR DEBRIS STREAM AND A POSSIBLE PROGENITOR

    International Nuclear Information System (INIS)

    Using the Sloan Digital Sky Survey Data Release 7, we re-examine the Eastern Banded Structure (EBS), a stellar debris stream first discovered in Data Release 5 and more recently detected in velocity space by Schlaufman et al. The visible portion of the stream is 180 long, lying roughly in the Galactic Anticenter direction and extending from Hydra to Cancer. At an estimated distance of 9.7 kpc, the stream is ∼170 pc across on the sky. The curvature of the stream implies a fairly eccentric box orbit that passes close to both the Galactic center and to the Sun, making it dynamically distinct from the nearby Monoceros, Anticenter, and GD-1 streams. Within the stream is a relatively strong, 20-wide concentration of stars with a very similar color-magnitude distribution that we designate Hydra I. Given its prominence within the stream and its unusual morphology, we suggest that Hydra I is the last vestige of EBS's progenitor, possibly already unbound or in the final throes of tidal dissolution. Though both Hydra I and the EBS have a relatively high-velocity dispersion, given the comparatively narrow width of the stream and the high frequency of encounters with the bulge and massive constituents of the disk that such an eccentric orbit would entail, we suggest that the progenitor was likely a globular cluster and that both it and the stream have undergone significant heating over time.

  3. Do ecohydrology and community dynamics feed back to banded-ecosystem structure and productivity?

    Science.gov (United States)

    Callegaro, Chiara; Ursino, Nadia

    2016-04-01

    Mixed communities including grass, shrubs and trees are often reported to populate self-organized vegetation patterns. Patterns of survey data suggest that species diversity and complementarity strengthen the dynamics of banded environments. Resource scarcity and local facilitation trigger self organization, whereas coexistence of multiple species in vegetated self-organizing patches, implying competition for water and nutrients and favorable reproduction sites, is made possible by differing adaptation strategies. Mixed community spatial self-organization has so far received relatively little attention, compared with local net facilitation of isolated species. We assumed that soil moisture availability is a proxy for the environmental niche of plant species according to Ursino and Callegaro (2016). Our modelling effort was focused on niche differentiation of coexisting species within a tiger bush type ecosystem. By minimal numerical modelling and stability analysis we try to answer a few open scientific questions: Is there an adaptation strategy that increases biodiversity and ecosystem functioning? Does specific adaptation to environmental niches influence the structure of self-organizing vegetation pattern? What specific niche distribution along the environmental gradient gives the highest global productivity?

  4. Microwave band gap and cavity mode in spoof–insulator–spoof waveguide with multiscale structured surface

    International Nuclear Information System (INIS)

    We propose a multiscale spoof–insulator–spoof (SIS) waveguide by introducing periodic geometry modulation in the wavelength scale to a SIS waveguide made of a perfect electric conductor. The MSIS consists of multiple SIS subcells. The dispersion relationship of the fundamental guided mode of the spoof surface plasmon polaritons (SSPPs) is studied analytically within the small gap approximation. It is shown that the multiscale SIS possesses microwave band gap (MBG) due to the Bragg scattering. The ‘gap maps’ in the design parameter space are provided. We demonstrate that the geometry of the subcells can efficiently adjust the effective refraction index of the elementary SIS and therefore further control the width and the position of the MBG. The results are in good agreement with numerical calculations by the finite element method (FEM). For finite-sized MSIS of given geometry in the millimeter scale, FEM calculations show that the first-order symmetric SSPP mode has zero transmission in the MBG within frequency range from 4.29 to 5.1 GHz. A cavity mode is observed inside the gap at 4.58 GHz, which comes from a designer ‘point defect’ in the multiscale SIS waveguide. Furthermore, ultrathin MSIS waveguides are shown to have both symmetric and antisymmetric modes with their own MBGs, respectively. The deep-subwavelength confinement and the great degree of control of the propagation of SSPPs in such structures promise potential applications in miniaturized microwave device. (paper)

  5. Complex band structure eigenvalue method adapted to Floquet systems: topological superconducting wires as a case study

    International Nuclear Information System (INIS)

    For systems that can be modeled as a single-particle lattice extended along a privileged direction, such as, for example, quantum wires, the so-called eigenvalue method provides full information about the propagating and evanescent modes as a function of energy. This complex band structure method can be applied either to lattices consisting of an infinite succession of interconnected layers described by the same local Hamiltonian or to superlattices: systems in which the spatial periodicity involves more than one layer. Here, for time-dependent systems subject to a periodic driving, we present an adapted version of the superlattice scheme capable of obtaining the Floquet states and the Floquet quasienergy spectrum. Within this scheme the time periodicity is treated as existing along a spatial dimension added to the original system. The solutions at a single energy for the enlarged artificial system provide the solutions of the original Floquet problem. The method is suited for arbitrary periodic excitations, including strong and anharmonic drivings. We illustrate the capabilities of the methods for both time-independent and time-dependent systems by discussing: (a) topological superconductors in multimode quantum wires with spin–orbit interaction and (b) microwave driven quantum dots in contact with a topological superconductor. (paper)

  6. The electronic band structures of gadolinium chalcogenides: a first-principles prediction for neutron detecting

    Science.gov (United States)

    Li, Kexue; Liu, Lei; Yu, Peter Y.; Chen, Xiaobo; Shen, D. Z.

    2016-05-01

    By converting the energy of nuclear radiation to excited electrons and holes, semiconductor detectors have provided a highly efficient way for detecting them, such as photons or charged particles. However, for detecting the radiated neutrons, those conventional semiconductors hardly behave well, as few of them possess enough capability for capturing these neutral particles. While the element Gd has the highest nuclear cross section, here for searching proper neutron-detecting semiconductors, we investigate theoretically the Gd chalcogenides whose electronic band structures have never been characterized clearly. Among them, we identify that γ-phase Gd2Se3 should be the best candidate for neutron detecting since it possesses not only the right bandgap of 1.76 eV for devices working under room temperature but also the desired indirect gap nature for charge carriers surviving longer. We propose further that semiconductor neutron detectors with single-neutron sensitivity can be realized with such a Gd-chalcogenide on the condition that their crystals can be grown with good quality.

  7. Two dimensional band structure mapping of organic single crystals using the new generation electron energy analyzer ARTOF

    Energy Technology Data Exchange (ETDEWEB)

    Vollmer, A.; Ovsyannikov, R.; Gorgoi, M.; Krause, S.; Oehzelt, M. [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Elektronenspeicherring BESSY II, 12489 Berlin (Germany); Lindblad, A.; Martensson, N.; Svensson, S. [Uppsala University, Department of Materials Chemistry and Department of Physics and Astronomy, Uppsala (Sweden); Karlsson, P.; Lundvuist, M. [VG Scienta AB, Uppsala (Sweden); Schmeiler, T.; Pflaum, J. [Lehrstuhl fuer Experimentelle Physik VI, Universitaet Wuerzburg und ZAE Bayern, 97074 Wuerzburg (Germany); Koch, N., E-mail: norbert.koch@physik.hu-berlin.de [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Elektronenspeicherring BESSY II, 12489 Berlin (Germany); Institut fuer Physik, Humboldt-Universitaet zu Berlin, 12489 Berlin (Germany)

    2012-04-15

    Highlights: Black-Right-Pointing-Pointer A novel type of photoemission detector is introduced: the Angle Resolved Time Of Flight electron energy analyzer (ARTOF). Black-Right-Pointing-Pointer It enables electronic band structure determination under measurement conditions that are ideal for radiation-sensitive samples. Black-Right-Pointing-Pointer The band structures of rubrene single crystal is confirmed. Black-Right-Pointing-Pointer The absence of HOMO-band dispersion for tetracene single crystals is revealed. - Abstract: We report on a novel type of photoemission detector, the Angle Resolved Time Of Flight electron energy analyzer (ARTOF 10k), which enables electronic band structure determination under measurement conditions that are ideal for radiation-sensitive samples. This is facilitated through the combination of very high electron transmission and wide accessible angular range in one geometry. These properties make the ARTOF 10k predestined to investigate specimens that strongly suffer from radiation damage during photoemission experiments under 'standard' conditions, such as organic single crystals, as extremely low fluxes can be used while not compromising spectra accumulation times and signal-to-noise ratio. Even though organic single crystals are of increasing fundamental and applied scientific interest, knowledge of their electronic properties is still largely based on theoretical calculations due to major experimental challenges in measuring photoemission. In this work we show that the band structures of rubrene and tetracene single crystals can be obtained with unprecedented quality using the ARTOF 10k detector. The dispersion of the highest occupied band in rubrene is confirmed in accordance with an earlier report and we disclose the absence of notable dispersion for the highest occupied energy level on the surface of tetracene single crystals.

  8. Electronic Band Structures of the Highly Desirable III-V Semiconductors: TB-mBJ DFT Studies

    Science.gov (United States)

    Rehman, Gul; Shafiq, M.; Saifullah; Ahmad, Rashid; Jalali-Asadabadi, S.; Maqbool, M.; Khan, Imad; Rahnamaye-Aliabad, H.; Ahmad, Iftikhar

    2016-05-01

    The correct band gaps of semiconductors are highly desirable for their effective use in optoelectronic and other photonic devices. However, the experimental and theoretical results of the exact band gaps are quite challenging and sometimes tricky. In this article, we explore the electronic band structures of the highly desirable optical materials, III-V semiconductors. The main reason of the ineffectiveness of the theoretical band gaps of these compounds is their mixed bonding character, where large proportions of electrons reside outside atomic spheres in the intestinal regions, which are challenging for proper theoretical treatment. In this article, the band gaps of the compounds are revisited and successfully reproduced by properly treating the density of electrons using the recently developed non-regular Tran and Blaha's modified Becke-Johnson (nTB-mBJ) approach. This study additionally suggests that this theoretical scheme could also be useful for the band gap engineering of the III-V semiconductors. Furthermore, the optical properties of these compounds are also calculated and compared with the experimental results.

  9. Band gap engineering and \\vec{k}\\cdot \\vec{\\pi } electronic structure of lead and tin tellurides

    Science.gov (United States)

    Behera, S. S.; Tripathi, G. S.

    2016-06-01

    We study the effect of the variation of energy gap on the k\\cdot π electronic structure of PbTe and SnTe, using a six-level basis at the L point. The basis functions in both the systems have the same transformation properties. However, the basis functions of the band edge states in SnTe are reversed with respect to the same in PbTe. Band dispersions are obtained analytically for a two band model. As the band gap decreases, the bands become linear. Far bands are included in the electronic dispersion, using perturbation theory. Fermi energy and the Density of States at the Fermi energy, { D }({\\varepsilon }F), are calculated for different carrier concentrations and energy gaps through a self-consistent approach. Interesting results are seen when the energy gap is reduced from the respective equilibrium values. For both the systems, the Fermi energy increases as the gap is decreased. The behavior of { D }({\\varepsilon }F) is, however, different. It decreases with the gap. It is also on expected lines. Calculated values of the electronic effective mass, as a function of temperature, energy gap and carrier concentration, are compared with previously published data. As distinguished from a first principles calculation, the work has focused on the carrier dependent electronic parameters for use both by theorists and experimenters as well.

  10. Electronic Band Structures of the Highly Desirable III-V Semiconductors: TB-mBJ DFT Studies

    Science.gov (United States)

    Rehman, Gul; Shafiq, M.; Saifullah; Ahmad, Rashid; Jalali-Asadabadi, S.; Maqbool, M.; Khan, Imad; Rahnamaye-Aliabad, H.; Ahmad, Iftikhar

    2016-07-01

    The correct band gaps of semiconductors are highly desirable for their effective use in optoelectronic and other photonic devices. However, the experimental and theoretical results of the exact band gaps are quite challenging and sometimes tricky. In this article, we explore the electronic band structures of the highly desirable optical materials, III-V semiconductors. The main reason of the ineffectiveness of the theoretical band gaps of these compounds is their mixed bonding character, where large proportions of electrons reside outside atomic spheres in the intestinal regions, which are challenging for proper theoretical treatment. In this article, the band gaps of the compounds are revisited and successfully reproduced by properly treating the density of electrons using the recently developed non-regular Tran and Blaha's modified Becke-Johnson (nTB-mBJ) approach. This study additionally suggests that this theoretical scheme could also be useful for the band gap engineering of the III-V semiconductors. Furthermore, the optical properties of these compounds are also calculated and compared with the experimental results.

  11. Formation of the conduction band electronic structure during deposition of ultrathin dicarboximide-substituted perylene films on the oxidized silicon surface

    Science.gov (United States)

    Komolov, A. S.; Lazneva, E. F.; Gerasimova, N. B.; Panina, Yu. A.; Baramygin, A. V.; Ovsyannikov, A. D.

    2015-07-01

    The results of the investigation of the conduction band electronic structure and the interfacial potential barrier during deposition of ultrathin dicarboximide-substituted perylene films (PTCBI-C8) on the oxidized silicon surface have been presented. The measurements have been performed using the very low energy electron diffraction (VLEED) technique implemented in the total current spectroscopy (TCS) mode with a variation in the incident electron energy from 0 to 25 eV. Changes in the intensities of the maxima from the deposited PTCBI-C8 film and from the substrate with an increase in the organic coating thickness to 7 nm have been analyzed using TCS measurements. A comparison of the structure of the maxima of PTCBI-C8 and perylene-tetracarboxylic-dianhydride (PTCDA) films has made it possible to distinguish the energy range (8-13 eV above E F) in which distinct differences in the structures of maxima for PTCDA and PTCBI-C8 films are observed. This energy range corresponds to low-lying σ*-states of the conduction band of the films studied. The formation of the interfacial region of the PTCBI-C8 film and (SiO2) n-Si substrate is accompanied by an increase in the surface work function by 0.6 eV, which corresponds to the electron density charge transfer from the (SiO2) n-Si substrate to the PTCBI-C8 film.

  12. Partial structural characterization of the cytoplasmic domain of the erythrocyte membrane protein, band 3.

    Science.gov (United States)

    Appell, K C; Low, P S

    1981-11-10

    group is suggested to exert significant control over the structure/stability of the cytoplasmic domain of band 3. PMID:7287756

  13. Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the band structure

    Science.gov (United States)

    Antonius, Gabriel; Poncé, Samuel; Lantagne-Hurtubise, Étienne; Auclair, Gabriel; Côté, Michel; Gonze, Xavier

    2015-03-01

    The electron-phonon coupling in solids renormalizes the band structure, reducing the band gap by several tenths of an eV in light-atoms semiconductors. Using the Allen-Heine-Cardona theory (AHC), we compute the zero-point renormalization (ZPR) as well as the quasiparticle lifetimes of the full band structure in diamond, BN, LiF and MgO. We show how dynamical effects can be included in the AHC theory, and still allow for the use of a Sternheimer equation to avoid the summation over unoccupied bands. The convergence properties of the electron-phonon coupling self-energy with respect to the Brillouin zone sampling prove to be strongly affected by dynamical effects. We complement our study with a frozen-phonon approach, which reproduces the static AHC theory, but also allows to probe the phonon wavefunctions at finite displacements and include anharmonic effects in the self-energy. We show that these high-order components tend to reduce the strongest electron-phonon coupling elements, which affects significantly the band gap ZPR.

  14. Microscopic nuclear structure models and methods : Chiral symmetry, Wobbling motion and $\\gamma-$bands

    CERN Document Server

    Sheikh, J A; Dar, W A; Jehangir, S; Ganai, P A

    2015-01-01

    A systematic investigation of the nuclear observables related to the triaxial degree of freedom is presented using the multi-quasiparticle triaxial projected shell model (TPSM) approach. These properties correspond to the observation of $\\gamma$-bands, chiral doublet bands and the wobbling mode. In the TPSM approach, $\\gamma$-bands are built on each quasiparticle configuration and it is demonstrated that some observations in high-spin spectroscopy that have remained unresolved for quite some time could be explained by considering $\\gamma$-bands based on two-quasiparticle configurations. It is shown in some Ce-, Nd- and Ge-isotopes that the two observed aligned or s-bands originate from the same intrinsic configuration with one of them as the $\\gamma$-band based on a two-quasiparticle configuration. In the present work, we have also performed a detailed study of $\\gamma$-bands observed up to the highest spin in Dysposium, Hafnium, Mercury and Uranium isotopes. Furthermore, several measurements related to chira...

  15. Configuration-dependent band structures in odd-odd 180Ir

    International Nuclear Information System (INIS)

    High-spin states in 180Ir have been investigated by means of in-beam γ-ray spectroscopy techniques with the 154Sm(31P,5nγ)180Ir reaction. Excitation functions, x-γ and γ-γ-t coincidences, DCO (directional correlation of γ rays deexciting oriented states) ratios, and intraband B(M1)/B(E2) ratios were measured. Five rotational bands have been identified and their configurations are proposed on the basis of B(M1)/B(E2) ratios and by comparing the band properties with known bands in neighboring odd-mass and even-mass nuclei. The neutron AB crossing is observed at (ℎ/2π)ωc=0.26(1) MeV for the π1/2-[541](multiply-in-circle sign)ν1/2-[521] and π1/2-[541](multiply-in-circle sign)ν5/2-[512] bands, respectively. Staggering of levels as a function of the number of neutron pairs is revealed in the π1/2-[541](multiply-in-circle sign)ν1/2-[521] doubly decoupled bands of 178-186Ir. The gradual alignment gains at low rotational frequencies are observed in the two strongly coupled bands. Band crossings and alignments in 180Ir are discussed with reference to the total Routhian surface and cranked shell model calculations performed for the neighboring odd-mass nuclei

  16. RESONANT ZENER TUNNELING OF ELECTRONS ACROSS THE BAND-GAP BETWEEN BOUND STATES IN THE VALENCE- AND CONDUCTION-BAND QUANTUM WELLS IN A MULTIPLE QUANTUM-WELL STRUCTURE

    OpenAIRE

    Allam, J.; Beltram, F.; Capasso, F; Cho, A.

    1987-01-01

    We report the observation of resonant tunneling effects at high applied fields in a multiple quantum-well P-I-N diode. The Al0.48In0.52As/Ga0.47In0.53As structure shows features in the dark current due to Zener tunneling of electrons from the lowest sub-band in a valence-band quantum well to the first and second sub-bands of an adjacent conduction-band well.

  17. Theory of the electronic structure of dilute nitride alloys: beyond the band-anti-crossing model

    International Nuclear Information System (INIS)

    We use an sp3s* tight-binding Hamiltonian to investigate the band-anti-crossing (BAC) model for dilute GaNxAs1-x alloys. The BAC model describes the strong band-gap bowing at low N composition x in terms of an interaction between the conduction band edge (E-) and a higher-lying band of localized nitrogen resonant states (E+). We demonstrate that the E- level can be described very accurately by the BAC model, in which we treat the nitrogen levels explicitly using a linear combination of isolated nitrogen resonant states (LCINS). We also use the LCINS results to identify E+ in the full tight-binding calculations, showing that at low N composition E+ forms a sharp resonance in the conduction band Γ-related density of states, which broadens rapidly at higher N composition when the E+ level rises in energy to become degenerate with the larger L-related density of states. We then turn to the conduction band dispersion, showing that the two-level BAC model must be modified to give a quantitative understanding of the dispersion. We demonstrate that the unexpectedly large electron effective mass values observed in some GaNAs samples are due to hybridization between the conduction band edge and nitrogen states close to the band edge. Finally we show that there is a fundamental connection between the strong composition-dependence of the conduction-band-edge energy and the n-type carrier scattering cross-section in Ga(In)NxAs1-x alloys, imposing general limits on the carrier mobility, comparable to the highest measured mobility in such alloys

  18. Analysis of band structure, transmission properties, and dispersion behavior of THz wave in one-dimensional parabolic plasma photonic crystal

    International Nuclear Information System (INIS)

    The photonic band gap of obliquely incident terahertz electromagnetic waves in a one-dimensional plasma photonic crystal is studied. The periodic structure consists of lossless dielectric and inhomogeneous plasma with a parabolic density profile. The dispersion relation and the THz wave transmittance are analyzed based on the electromagnetic equations and transfer matrix method. The dependence of effective plasma frequency and photonic band gap characteristics on dielectric and plasma thickness, plasma density, and incident angle are discussed in detail. A theoretical calculation for effective plasma frequency is presented and compared with numerical results. Results of these two methods are in good agreement

  19. Analysis of band structure, transmission properties, and dispersion behavior of THz wave in one-dimensional parabolic plasma photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Askari, Nasim; Eslami, Esmaeil, E-mail: eeslami@iust.ac.ir [Department of Physics, Iran University of Science & Technology, Narmak, Tehran 16846-13114 (Iran, Islamic Republic of); Mirzaie, Reza [Department of Physics, Shahid Beheshti University, G. C., Evin, Tehran 1983969411 (Iran, Islamic Republic of)

    2015-11-15

    The photonic band gap of obliquely incident terahertz electromagnetic waves in a one-dimensional plasma photonic crystal is studied. The periodic structure consists of lossless dielectric and inhomogeneous plasma with a parabolic density profile. The dispersion relation and the THz wave transmittance are analyzed based on the electromagnetic equations and transfer matrix method. The dependence of effective plasma frequency and photonic band gap characteristics on dielectric and plasma thickness, plasma density, and incident angle are discussed in detail. A theoretical calculation for effective plasma frequency is presented and compared with numerical results. Results of these two methods are in good agreement.

  20. Model comparison for the density structure along solar prominence threads

    CERN Document Server

    Arregui, I

    2015-01-01

    Quiescent solar prominence fine structures are typically modelled as density enhancements, called threads, which occupy a fraction of a longer magnetic flux tube. The profile of the mass density along the magnetic field is however unknown and several arbitrary alternatives are employed in prominence wave studies. We present a comparison of theoretical models for the field-aligned density along prominence fine structures. We consider Lorentzian, Gaussian, and parabolic profiles. We compare their theoretical predictions for the period ratio between the fundamental transverse kink mode and the first overtone to obtain estimates for the ratio of densities between the central part of the tube and its foot-points and to assess which one would better explain observed period ratio data. Bayesian parameter inference and model comparison techniques are developed and applied. Parameter inference requires the computation of the posterior distribution for the density gradient parameter conditional on the observable period...

  1. Electronic structure of metals of the beginning and the end of the third transition period. 1. Energy-band structure (review)

    International Nuclear Information System (INIS)

    The papers connected with the calculation of the energetic band structure of elements of the beginning and the end of the third transition period, such as Lu, Hf, Ir, Pt and Au, are considered. It is noted that the best agreement between theoretical and experimental ata is observed in casds when the crystalline potential is plotted on relativistic wave functions with complete Slater exchange. The application of the relativistic method of attached flat waves to calculate band structure and partial densities of transition metal states is considered. The effect of relativistic effects on the energetic band structure and energy distribution of complete and partical densities of states of the elements of the third transition period is discussed

  2. Shape optimization of phononic band gap structures using the homogenization approach

    CERN Document Server

    Vondřejc, Jaroslav; Heczko, Jan

    2016-01-01

    The paper deals with optimization of the acoustic band gaps computed using the homogenized model of strongly heterogeneous elastic composite which is constituted by soft inclusions periodically distributed in stiff elastic matrix. We employ the homogenized model of such medium to compute intervals - band gaps - of the incident wave frequencies for which acoustic waves cannot propagate. It was demonstrated that the band gaps distribution can be influenced by changing the shape of inclusions. Therefore, we deal with the shape optimization problem to maximize low-frequency band gaps; their bounds are determined by analyzing the effective mass tensor of the homogenized medium. Analytic transformation formulas are derived which describe dispersion effects of resizing the inclusions. The core of the problem lies in sensitivity of the eigenvalue problem associated with the microstructure. Computational sensitivity analysis is developed, which allows for efficient using of the gradient based optimization methods. Num...

  3. Flat Band Quastiperiodic Lattices

    Science.gov (United States)

    Bodyfelt, Joshua; Flach, Sergej; Danieli, Carlo

    2014-03-01

    Translationally invariant lattices with flat bands (FB) in their band structure possess irreducible compact localized flat band states, which can be understood through local rotation to a Fano structure. We present extension of these quasi-1D FB structures under incommensurate lattices, reporting on the FB effects to the Metal-Insulator Transition.

  4. Band structure of TiO sub 2 -doped yttria-stabilized zirconia probed by soft-x-ray spectroscopy

    CERN Document Server

    Higuchi, T; Kobayashi, K; Yamaguchi, S; Fukushima, A; Shin, S

    2003-01-01

    The electronic structure of TiO sub 2 -doped yttria-stabilized zirconia (YSZ) has been studied by soft-X-ray emission spectroscopy (SXES) and X-ray absorption spectroscopy (XAS). The valence band is mainly composed of the O 2p state. The O 1s XAS spectrum exhibits the existence of the Ti 3d unoccupied state under the Zr 4d conduction band. The intensity of the Ti 3d unoccupied state increases with increasing TiO sub 2 concentration. The energy separation between the top of the valence band and the bottom of the Ti 3d unoccupied state is in accord with the energy gap, as expected from dc-polarization and total conductivity measurements. (author)

  5. Structure comparisons of Aedes albopictus densovirus with other parvoviruses

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Parvoviridae is a family of the smallest viruses known with a wide variety of hosts. The capsid structure of the Aedes albopictus C6/36 cell densovirus (C6/36 DNV) at 1.2-nm resolution was obtained by elec-tron cryomicroscopy (cryoEM) and three-dimensional (3D) image reconstruction. Structure compari-sons between the C6/36 DNV and other parvoviruses reveal that the degree of structural similarity be-tween C6/36 DNV and the human parvovirus B19 is higher than that between C6/36 DNV and other in-sect parvoviruses. The amino acid sequence comparisons of structural and non-structural proteins also reveal higher levels of similarity between C6/36 DNV and parvovirus B19 than those between C6/36 DNV and other parvoviruses. These findings indicate that C6/36 DNV is closely related to the human virus B19, and the former might evolve from the human species other than from other insect viruses.

  6. Structure comparisons of Aedes albopictus densovirus with other parvoviruses

    Institute of Scientific and Technical Information of China (English)

    CHENG LingPeng; CHEN SenXiong; Z. H. ZHOU; ZHANG JingQiang

    2007-01-01

    Parvoviridae is a family of the smallest viruses known with a wide variety of hosts. The capsid structure of the Aedes albopictus C6/36 cell densovirus (C6/36 DNV) at 1.2-nm resolution was obtained by electron cryomicroscopy (cryoEM) and three-dimensional (3D) image reconstruction. Structure comparisons between the C6/36 DNV and other parvoviruses reveal that the degree of structural similarity between C6/36 DNV and the human parvovirus B19 is higher than that between C6/36 DNV and other insect parvoviruses. The amino acid sequence comparisons of structural and non-structural proteins also reveal higher levels of similarity between C6/36 DNV and parvovirus B19 than those between C6/36 DNV and other parvoviruses. These findings indicate that C6/36 DNV is closely related to the human virus B19, and the former might evolve from the human species other than from other insect viruses.

  7. Theoretical study on the photonic band gap in one-dimensional photonic crystals with graded multilayer structure

    Institute of Scientific and Technical Information of China (English)

    Fan Chun-Zhen; Wang Jun-Qiao; He Jin-Na; Ding Pei; Liang Er-Jun

    2013-01-01

    We theoretically investigate the photonic band gap in one-dimensional photonic crystals with a graded multilayer structure.The proposed structure constitutes an alternating composite layer (metallic nanoparticles embedded in TiO2 film) and an air layer.Regarding the multilayer as a series of capacitance,effective optical properties are derived.The dispersion relation is obtained with the solution of the transfer matrix equation.With a graded structure in the composite layer,numerical results show that the position and width of the photonic band gap can be effectively modulated by varying the number of the graded composite layers,the volume fraction of nanoparticles and the external stimuli.

  8. Simultaneous Out-of-band Interference Rejection and Radiation Enhancement in an Electronic Product via an EBG Structure

    DEFF Research Database (Denmark)

    Ruaro, Andrea; Thaysen, Jesper; Jakobsen, Kaj Bjarne

    2014-01-01

    This work presents an application of a planar electromagnetic band gap (EBG) structure with a perspective product implementation in the back of the mind. The focus is on the integration of such structure under the constraint of space and system coexistence. It is discovered that it is possible to...... (alternatively, parallel plate noise) and decrease the radiation efficiency of the structure forbidding higher-order modes to propagate and subsequently be diffracted by the ground plane....... to achieve simultaneously both the enhancement of the antenna radiation efficiency and the shrinking of its dimensions, while making the device more resilient to out-of-band electromagnetic interference (EMI). The patterning of the ground plane allows, in fact, to effectively suppress higher-order resonances...

  9. First-principles band-structure calculations and X-ray photoelectron spectroscopy studies of the electronic structure of TlPb{sub 2}Cl{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Khyzhun, O.Y., E-mail: khyzhun@ipms.kiev.ua [Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, Kyiv 03142 (Ukraine); Bekenev, V.L.; Denysyuk, N.M. [Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, Kyiv 03142 (Ukraine); Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Eastern European National University, 13 Voli Avenue, Lutsk 43025 (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, Pekarska St., 50, 79010 Lviv (Ukraine)

    2014-01-05

    Highlights: • Electronic structure of TlPb{sub 2}Cl{sub 5} is calculated by the FP-LAPW method. • The valence band is dominated by contributions of Cl 3p states. • Contributions of Pb 6p{sup *} states dominate at the bottom of the conduction band. • The FP-LAPW data allow concluding that TlPb{sub 2}Cl{sub 5} is an indirect-gap material. • XPS core-level and valence-band spectra of polycrystalline TlPb{sub 2}Cl{sub 5} are measured. -- Abstract: We report on first-principles calculations of total and partial densities of states of atoms constituting TlPb{sub 2}Cl{sub 5} using the full potential linearized augmented plane wave (FP-LAPW) method. The calculations reveal that the valence band of TlPb{sub 2}Cl{sub 5} is dominated by contributions of the Cl 3p-like states, which contribute mainly at the top of the valence band with also significant contributions throughout the whole valence-band region. In addition, the bottom of the conduction band of TlPb{sub 2}Cl{sub 5} is composed mainly of contributions of the unoccupied Pb 6p-like states. Our FP-LAPW data indicate that the TlPb{sub 2}Cl{sub 5} compound is an indirect-gap material with band gap of 3.42 eV. The X-ray photoelectron core-level and valence-band spectra for pristine and Ar{sup +} ion-irradiated surfaces of a TlPb{sub 2}Cl{sub 5} polycrystalline sample were measured. The measurements reveal high chemical stability and confirm experimentally the low hygroscopicity of TlPb{sub 2}Cl{sub 5} surface.

  10. Electronic Band Structure and Optical Parameters of Spinel SnMg2O4 by Modified Becke—Johnson Potential

    International Nuclear Information System (INIS)

    The electronic band structure and optical parameters of SnMg2O4 are investigated by the first-principles technique based on a new potential approximation known as modified Becke—Johnson (mBJ). The direct band gap values by LDA, GGA and EV-GGA are underestimated significantly as compared to mBJ-GGA, which generally provides the results comparable to the experimental values. Similarly, the present band gap value (4.85 eV) using mBJ-GGA is greatly enhanced to the previous value by EV-GGA (2.823 eV). The optical parametric quantities (dielectric constant, index of refraction, reflectivity, optical conductivity and absorption coefficient) relying on the band structure are presented and examined. The first critical point (optical absorption's edge) in SnMg2O4 occurs at about 4.85 eV. A strong absorption region is observed, extending between 5.4 eV to 25.0 eV. For SnMg2O4, static dielectric constant ε1(0), static refractive index n(0), and the magnitude of the coefficient of reflectivity at zero frequency R(0) are 2.296, 1.515 and 0.0419, respectively. The optoelectronic properties indicate that this material can be successfully used in optical devices

  11. Band structure and effective mass calculations for III-V compound semiconductors using hybrid functionals and optimized local potentials

    International Nuclear Information System (INIS)

    The band structures of III-V semiconductors (InP, InAs, InSb, GaAs, and GaSb) are calculated using the HSE06 hybrid functional, GW, and local potentials optimized for the description of band gaps. We show that the inclusion of a quarter of the exact HF exchange allows to predict accurate direct band gaps for InP, InAs, and InSb, i.e., 1.48, 0.42, 0.28 eV, in good agreement with recent experiments, i.e., 1.42, 0.42, 0.24 eV, respectively. The calculated effective masses and Luttinger parameters are also in reasonable agreement with experiment, although a tendency towards underestimation is observed with increasing anion mass. In order to find more efficient methods than hybrid functionals, the modified Becke-Johnson exchange potential is also employed to calculate the effective masses. The agreement of the effective masses with experiment is comparable to the one obtained with the HSE06 hybrid functional. Therefore, this opens a way to model band structures of much large systems than possible using hybrid functionals.

  12. On optimizing Jacobi–Davidson method for calculating eigenvalues in low dimensional structures using eight band k · p model

    International Nuclear Information System (INIS)

    The paper presents two ways of improving the Jacobi–Davidson method for calculating the eigenvalues and eigenvectors described by eight-band k · p model for quantum dots and other low dimensional structures. First, the method is extended by the application of time reversal symmetry operator. This extension allows efficient calculations of the twofold degeneracy present in the multiband k · p model and other interior eigenvalues. Second, the preconditioner for the indefinite matrix which comes from the discretization of the eight band k · p Hamiltonian is presented. The construction of this preconditioner is based on physical considerations about energy band structure in the k · p model. On the basis of two real examples, it is shown that the preconditioner can significantly shorten the time needed to calculate the interior eigenvalues, despite the fact that the memory usage of the preconditioner and Hamiltionian is comparable. Finally, some technical details for implementing the eight band k · p Hamiltonian and the eigensolver are provided

  13. Micro-metric electronic patterning of a topological band structure using a photon beam

    Science.gov (United States)

    Golden, Mark; Frantzeskakis, Emmanouil; de Jong, Nick; Huang, Yingkai; Wu, Dong; Pan, Yu; de Visser, Anne; van Heumen, Erik; van Bay, Tran; Zwartsenberg, Berend; Pronk, Pieter; Varier Ramankutty, Shyama; Tytarenko, Alona; Xu, Nan; Plumb, Nick; Shi, Ming; Radovic, Milan; Varkhalov, Andrei

    2015-03-01

    The only states crossing EF in ideal, 3D TIs are topological surface states. Single crystals of Bi2Se3andBi2Te3 are too defective to exhibit bulk-insulating behaviour, and ARPES shows topologically trivial 2DEGs at EF in the surface region due to downward band bending. Ternary & quaternary alloys of Bi /Te /Se /Sb hold promise for obtaining bulk-insulating crystals. Here we report ARPES data from quaternary, bulk-insulating, Bi-based TIs. Shortly after cleavage in UHV, downward band bending pulls the bulk conduction band below EF, once again frustrating the ``topological only'' ambition for the Fermi surface. However, there is light at the end of the tunnel: we show that a super-band-gap photon beam generates a surface photovoltage sufficient to flatten the bands, thereby recovering the ideal, ``topological only'' situation. In our bulk-insulating quaternary TIs, this effect is local in nature, and permits the writing of arbitrary, micron-sized patterns in the topological energy landscape at the surface. Support from FOM, NWO and the EU is gratefully acknowledged.

  14. A comparison of methods for evaluating structure during ship collisions

    International Nuclear Information System (INIS)

    A comparison is provided of the results of various methods for evaluating structure during a ship-to-ship collision. The baseline vessel utilized in the analyses is a 67.4 meter in length displacement hull struck by an identical vessel traveling at speeds ranging from 10 to 30 knots. The structural response of the struck vessel and motion of both the struck and striking vessels are assessed by finite element analysis. These same results are then compared to predictions utilizing the open-quotes Tanker Structural Analysis for Minor Collisionsclose quotes (TSAMC) Method, the Minorsky Method, the Haywood Collision Process, and comparison to full-scale tests. Consideration is given to the nature of structural deformation, absorbed energy, penetration, rigid body motion, and virtual mass affecting the hydrodynamic response. Insights are provided with regard to the calibration of the finite element model which was achievable through utilizing the more empirical analyses and the extent to which the finite element analysis is able to simulate the entire collision event. 7 refs., 8 figs., 4 tabs

  15. Alpha-band activity reflects reduction of mental effort in a comparison task : A source space analysis

    NARCIS (Netherlands)

    Keil, Andreas; Mussweiler, Thomas; Epstude, Kai

    2006-01-01

    Comparison processes contribute to many core phenomena of social cognition research. Whenever humans judge a given target, they rely on comparisons with a pertinent standard. We propose that comparison processes may be so ubiquitous because they reduce mental effort. To investigate this possibility,

  16. Comparison of Skeletal Muscle Protein Bands among Five Populations of Bufo viridis in Turkey by SDS-PAGE

    OpenAIRE

    BÜLBÜL, Ufuk; KUTRUP, Bilal

    2007-01-01

    Skeletal muscle protein bands of Bufo viridis samples from 5 different populations in Turkey were investigated by SDS-PAGE (Sodium Dodecyl Sulphate-Poly Acrylamide Gel Electrophoresis). The total number of skeletal muscle protein bands was 23 in Hatay, Kayseri, Rize, and Tekirdağ samples, and 25 in the Mersin sample. It can be ascertained from the present study that some populations of B. viridis in Turkey could be different according to skeletal muscle protein bands and SDS-PAGE results comp...

  17. Band structure engineering and vacancy induced metallicity at the GaAs-AlAs interface

    KAUST Repository

    Upadhyay Kahaly, M.

    2011-09-20

    We study the epitaxial GaAs-AlAs interface of wide gap materials by full-potential density functional theory. AlAsthin films on a GaAs substrate and GaAsthin films on an AlAs substrate show different trends for the electronic band gap with increasing film thickness. In both cases, we find an insulating state at the interface and a negligible charge transfer even after relaxation. Differences in the valence and conduction band edges suggest that the energy band discontinuities depend on the growth sequence. Introduction of As vacancies near the interface induces metallicity, which opens great potential for GaAs-AlAs heterostructures in modern electronics.

  18. Wigner random banded matrices with sparse structure local spectral density of states

    CERN Document Server

    Fyodorov, Yu V; Izrailev, F M; Casati, G

    1995-01-01

    Random banded matrices with linearly increasing diagonal elements are recently considered as an attractive model for complex nuclei and atoms. Apart from early papers by Wigner \\cite{Wig} there were no analytical studies on the subject. In this letter we present analytical and numerical results for local spectral density of states (LDOS) for more general case of matrices with a sparsity inside the band. The crossover from the semicircle form of LDOS to that given by the Breit-Wigner formula is studied in detail.

  19. The electronic structure of lanthanide doped compounds with 3d, 4d, 5d, or 6d conduction band states

    Energy Technology Data Exchange (ETDEWEB)

    Dorenbos, Pieter, E-mail: p.dorenbos@tudelft.nl

    2014-07-01

    The chemical shift model of electronic binding energies will be applied to the lanthanides in T O{sub 2} and MT O{sub 3} compounds where T is the cation Ti{sup 4+}, Zr{sup 4+}, Ce{sup 4+}, Hf{sup 4+}, or Th{sup 4+} and M is the alkaline earth cation Ba{sup 2+}, Sr{sup 2+}, or Ca{sup 2+}. As input, data from lanthanide spectroscopy will be used to generate the binding energies of electrons in all lanthanide impurity states and in the valence band and conduction band states of the host compound. In these compounds the bottom of the conduction band has a strong nd-orbital character (n=3, 4, 5, and 6 for titanates, zirconates, hafnates, and thorates, respectively). Electronic structure diagrams are determined that show the valence band and conduction band energy together with all lanthanide impurity level energies relative to the vacuum level. They reveal clear trends when n increases that has profound consequences for the lanthanide luminescence properties. - Highlights: • Electronic level schemes with all divalent and all trivalent lanthanide impurity states in titanate, zirconate, hafnate, and thorate compounds are presented. • Level schemes can be compared with each other with respect to a common energy reference, i.e., the energy of an electron at rest in vacuum. • It is found that the conduction band energy systematically increases when its character changes from 3d, to 4d, to 5d, to 6d-orbital type.

  20. Effect of interface/surface stress on the elastic wave band structure of two-dimensional phononic crystals

    International Nuclear Information System (INIS)

    In the present Letter, the multiple scattering theory (MST) for calculating the elastic wave band structure of two-dimensional phononic crystals (PCs) is extended to include the interface/surface stress effect at the nanoscale. The interface/surface elasticity theory is employed to describe the nonclassical boundary conditions at the interface/surface and the elastic Mie scattering matrix embodying the interface/surface stress effect is derived. Using this extended MST, the authors investigate the interface/surface stress effect on the elastic wave band structure of two-dimensional PCs, which is demonstrated to be significant when the characteristic size reduces to nanometers. -- Highlights: ► Multiple scattering theory including the interface/surface stress effect. ► Interface/surface elasticity theory to describe the nonclassical boundary conditions. ► Elastic Mie scattering matrix embodying the interface/surface stress effect. ► Interface/surface stress effect would be significant at the nanoscale.

  1. Effect of interaction between periodic δ-doping in both well and barrier layers on modulation of superlattice band structure

    Science.gov (United States)

    Xu, Huaizhe; Yan, Qiqi; Wang, Tianmin

    2007-08-01

    The modulation of superlattice band structure via periodic δ-doping in both well and barrier layers have been theoretically investigated, and the importance of interaction between the δ-function potentials in the well layers and those in the barrier layers on SL band structure have been revealed. It is pointed out that the energy dispersion relation Eq. (3) given in [G. Ihm, S.K. Noh, J.I. Lee, J.-S. Hwang, T.W. Kim, Phys. Rev. B 44 (1991) 6266] is an incomplete one, as the interaction between periodic δ-doping in both well and barrier layers had been overlooked. Finally, we have shown numerically that the electron states of a GaAs/Ga0.7Al0.3As superlattice can be altered more efficiently by intelligent tuning the two δ-doping's positions and heights.

  2. Two dimensional band structure mapping of organic single crystals using the new generation electron energy analyzer ARTOF

    OpenAIRE

    Vollmer, A.; R. Ovsyannikov; Gorgoi, M.; Krause, S.; Oehzelt, M.; Lindblad, Andreas; Mårtensson, Nils; Svensson, Svante; Karlsson, P; Lundvuist, M.; Schmeiler, T.; Pflaum, J.; Koch, N.

    2012-01-01

    We report on a novel type of photoemission detector, the Angle Resolved Time Of Flight electron energy analyzer (ARTOF 10k), which enables electronic band structure determination under measurement conditions that are ideal for radiation-sensitive samples. This is facilitated through the combination of very high electron transmission and wide accessible angular range in one geometry. These properties make the ARTOF 10k predestined to investigate specimens that strongly suffer from radiation da...

  3. A parallel multigrid method for band structure computation of 3D photonic crystals with higher order finite elements

    OpenAIRE

    Bulovyatov, Alexander

    2010-01-01

    The band structure computation turns into solving a family of Maxwell eigenvalue problems on the periodicity domain. The discretization is done by the finite element method with special higher order H(curl)- and H1-conforming modified elements. The eigenvalue problem is solved by a preconditioned iterative eigenvalue solver with a projection onto the divergence-free vector fields. As a preconditioner we use the parallel multigrid method with a special Hiptmair smoother.

  4. Band Structure and Fermi Surface of Cu2Sb by the LMTO Method

    DEFF Research Database (Denmark)

    Jan, J. P.; Skriver, Hans Lomholt

    1977-01-01

    The linear muffin-tin orbital (LMTO) method of bandstructure calculation has been applied to the simple tetragonal compound Cu2Sb. The d bands of Cu lie substantially below the Fermi level, and the Fermi surface is a recognizable distortion of the free-electron model. The Fermi surface has sheets...

  5. Crystal structure and band gap determination of HfO2 thin films

    NARCIS (Netherlands)

    Cheynet, M.C.; Pokrant, S.; Tichelaar, F.D.; Rouvière, J.L.

    2007-01-01

    Valence electron energy loss spectroscopy (VEELS) and high resolution transmission electron microscopy (HRTEM) are performed on three different HfO2 thin films grown on Si (001) by chemical vapor deposition (CVD) or atomic layer deposition (ALD). For each sample the band gap (Eg) is determined by lo

  6. Optical study of the band structure of wurtzite GaP nanowires

    KAUST Repository

    Assali, S.

    2016-07-25

    We investigated the optical properties of wurtzite (WZ) GaP nanowires by performing photoluminescence (PL) and time-resolved PL measurements in the temperature range from 4 K to 300 K, together with atom probe tomography to identify residual impurities in the nanowires. At low temperature, the WZ GaP luminescence shows donor-acceptor pair emission at 2.115 eV and 2.088 eV, and Burstein-Moss band-filling continuum between 2.180 and 2.253 eV, resulting in a direct band gap above 2.170 eV. Sharp exciton α-β-γ lines are observed at 2.140–2.164–2.252 eV, respectively, showing clear differences in lifetime, presence of phonon replicas, and temperature-dependence. The excitonic nature of those peaks is critically discussed, leading to a direct band gap of ∼2.190 eV and to a resonant state associated with the γ-line ∼80 meV above the Γ8C conduction band edge.

  7. Phononic band structure in a two-dimensional hybrid triangular graphite lattice

    International Nuclear Information System (INIS)

    The propagation of acoustic wave in a two-dimensional phononic crystal of a hybrid triangular graphite array is investigated by the plane wave expansion (PWE) method. Our numerical results show that the location and width of the band gaps can be tuned by altering the radii of scatters at different positions.

  8. Near-edge band structures and band gaps of Cu-based semiconductors predicted by the modified Becke-Johnson potential plus an on-site Coulomb U

    International Nuclear Information System (INIS)

    Diamond-like Cu-based multinary semiconductors are a rich family of materials that hold promise in a wide range of applications. Unfortunately, accurate theoretical understanding of the electronic properties of these materials is hindered by the involvement of Cu d electrons. Density functional theory (DFT) based calculations using the local density approximation or generalized gradient approximation often give qualitative wrong electronic properties of these materials, especially for narrow-gap systems. The modified Becke-Johnson (mBJ) method has been shown to be a promising alternative to more elaborate theory such as the GW approximation for fast materials screening and predictions. However, straightforward applications of the mBJ method to these materials still encounter significant difficulties because of the insufficient treatment of the localized d electrons. We show that combining the promise of mBJ potential and the spirit of the well-established DFT + U method leads to a much improved description of the electronic structures, including the most challenging narrow-gap systems. A survey of the band gaps of about 20 Cu-based semiconductors calculated using the mBJ + U method shows that the results agree with reliable values to within ±0.2 eV

  9. Valence band structure and optical properties of ZnO{sub 1−x}S{sub x} ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Shtepliuk, I., E-mail: ivan.shtepliuk@liu.se [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden); Frantsevich Institute for Problems of Materials Science NAS of Ukraine, 3 Krzhizhanivsky str., 03680 Kyiv (Ukraine); Khomyak, V. [Fedkovich Chernivtsi National University, 2 Kotsubinsky str., 58012 Chernivtsi (Ukraine); Khranovskyy, V.; Yakimova, R. [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden)

    2015-11-15

    The k.p method and the effective mass theory are applied to compute valence-band electronic structure and optical properties of ZnO{sub 1−x}S{sub x} ternary alloys under biaxial strain. A significant modification of the band structure with increasing sulfur content is revealed. Features of wave-functions and matrix elements in the transverse electrical (TE) and transverse magnetic (TM) regimes for three valence subbands are studied and discussed. The results of calculations of interband transition energy and spontaneous emission spectra are in agreement with experimental data for ZnO{sub 1−x}S{sub x} films grown by radiofrequency magnetron sputtering technique. - Highlights: • The band structure and matrix elements of ZnO{sub 1−x}S{sub x} alloys are calculated. • Sulfur content effect on matrix elements and emission spectra is studied. • Physical nature of the interband transitions in ZnO{sub 1−x}S{sub x} alloys is explained. • A good qualitative agreement between theory and experiment is observed.

  10. Impurity states are the origin of yellow-band emission in GaN structures produced by epitaxial lateral overgrowth

    International Nuclear Information System (INIS)

    GaN grown by selective area epitaxy and subsequent lateral overgrowth exhibits sharply peaked anisotropic structures in the form of hexagonal pyramids and ridges. Spatially resolved optical emission from these structures, using both cathodoluminescence and collection-mode near-field scanning optical microscopy, of radiation centered near 550 nm, the so-called yellow band, indicates that the emission arises predominantly from the apex regions of the pyramids and ridges. In contrast, transmission electron microscopy shows that the apex region is nearly dislocation free and that dislocations cluster at the vertical growth core region. The spatial separation of the dislocations and optical emission indicates that the yellow-band emission has no direct relationship to dislocations. The observation of yellow-band emission strongly localized in the apical regions of both types of structures and the tendency of impurity species to concentrate in these areas argues that it arises instead from impurity states, the most likely candidate of which is a complex formed between a gallium vacancy, VGa, and Si or O. (c) 1999 American Institute of Physics

  11. Atomic structure of shear bands in Cu64Zr36 metallic glasses studied by molecular dynamics simulations

    International Nuclear Information System (INIS)

    Graphical abstract: Figure shows that atoms in the shear band (SB) moved desultorily compared with those in the matrix. These atoms seriously interacted with each other similar to the grain boundary in crystalline materials. Figuratively, if these atoms wanted to “pass” the shear band, they should arrange their irritations. However, stress concentrations and high energy were observed in SB, which resulted in instability in the deformation process and finally led to a disastrously brittle fracture. - Abstract: Molecular dynamics simulations on the atomic structure of shear bands (SBs) in Cu64Zr36 metallic glasses are presented. Results show that the atoms in the SB move desultorily, in contrast to those in the matrix. The saturated degree of bonded pairs considering the “liquid-like” character of SB quantitatively provides important details in extending earlier studies on SBs. Zr-centered 〈0, 2, 8, 5〉 clusters exhibit strong spatial correlations and tendency to connect with each other in short-range order. The 〈0, 2, 8, 5〉 cluster-type medium-range order is the main feature inside the SB relative to the matrix. The fractal results demonstrate the planar-like fashion of the 〈0, 2, 8, 5〉 network in SB, forming an interpenetrating solid-like backbone. Such heterogeneous structure provides a fundamental structural perspective of mechanical instability in SB

  12. RF-components embedded with photonic-band-bap (PBG) and fishnet-metamaterial structures for high frequency accelerator application

    CERN Document Server

    Robak, Sara; Shin, Young-Min

    2015-01-01

    In the development of high efficiency and high gradient RF-accelerators, RF waveguides and cavities have been designed with Photonic Band Gap (PBG) and fishnet- metamaterial structures. The designed structures are comprised of a periodically corrugated channel sandwiched between two photonic crystal slabs with alternating high to low dielectric constants and a multi-cell cavity-resonator designed with fishnet-metamaterial apertures. The structural designs of our interest are intended to only allow an operating-mode or -band within a narrow frequency range to propagate. The simulation analysis shows that trapped non-PBG modes are effectively suppressed down to ~ -14.3 dB/cm, while PBG modes propagated with ~2 dB of insertion loss, corresponding to ~1.14 dB/cm attenuation. The pre- liminary modeling analysis on the fishnet-embedded cavity shows noticeable improvement of Q-factor and field gradient of the operating mode (TM010) compared to those of typical pillbox- or PBG-cavities. Fabrication of the Ka-band PBG...

  13. Structural and Morphometric Comparison of Lower Incisors in PACAP-Deficient and Wild-Type Mice.

    Science.gov (United States)

    Sandor, B; Fintor, K; Reglodi, D; Fulop, D B; Helyes, Z; Szanto, I; Nagy, P; Hashimoto, H; Tamas, A

    2016-06-01

    Pituitary adenylate cyclase activating polypeptide (PACAP) is a neuropeptide with widespread distribution. PACAP plays an important role in the development of the nervous system, it has a trophic and protective effect, and it is also implicated in the regulation of various physiological functions. Teeth are originated from the mesenchyme of the neural crest and the ectoderm of the first branchial arch, suggesting similarities with the development of the nervous system. Earlier PACAP-immunoreactive fibers have been found in the odontoblastic and subodontoblastic layers of the dental pulp. Our previous examinations have shown that PACAP deficiency causes alterations in the morphology and structure of the developing molars of 7-day-old mice. In our present study, morphometric and structural comparison was performed on the incisors of 1-year-old wild-type and PACAP-deficient mice. Hard tissue density measurements and morphometric comparison were carried out on the mandibles and the lower incisors with micro-CT. For structural examination, Raman microscopy was applied on frontal thin sections of the mandible. With micro-CT morphometrical measurements, the size of the incisors and the relative volume of the pulp to dentin were significantly smaller in the PACAP-deficient group compared to the wild-type animals. The density of calcium hydroxyapatite in the dentin was reduced in the PACAP-deficient mice. No structural differences could be observed in the enamel with Raman microscopy. Significant differences were found in the dentin of PACAP-deficient mice with Raman microscopy, where increased carbonate/phosphate ratio indicates higher intracrystalline disordering. The evaluation of amide III bands in the dentin revealed higher structural diversity in wild-type mice. Based upon our present and previous results, it is obvious that PACAP plays an important role in tooth development with the regulation of morphogenesis, dentin, and enamel mineralization. Further studies are

  14. Magnetic and structural properties of the 'brown phase' solid solution Ba(Nd2-xLax)CuO5

    International Nuclear Information System (INIS)

    The compounds BaR2CuO5 (R=Y and lanthanides) are well-known impurities that often coexist with the high Tc superconductors, Ba2RCu3O6+x. With R=La and Nd, brown color solid solutions (Ba1+xR2-xCuO5-x) form instead of the 'green phase', BaR2CuO5 (lanthanides with ionic radii smaller than that of Sm). A complete solid solution of Ba(Nd2-xLax)CuO5 exists with the tetragonal space group P4/mbm. Crystallographic studies of selected members (x=0.2, 0.6, 1.2, and 1.6) by X-ray Rietveld refinement technique showed the structure consists of RO8 and BaO10 cages, and square planar CuO4 units. As x increases in Ba(Nd2-xLax)CuO5, the size of these RO8 and BaO10 cages increases. BaLa2CuO5 was confirmed to be ferromagnetic at ∼5 K; despite the isostructural property of BaLa2CuO5 and BaNd5CuO5, the Nd-analog was found to be antiferromagnetic. As x in Ba(Nd2-xLax)CuO5 increases between 0 and 2, the amount of ferromagnetism increases

  15. Energy bands structure and Bloch functions in the planar channeling model with the Kronig-Penney potential

    International Nuclear Information System (INIS)

    The motion of the charged particle in a one-dimensional periodic potential of the Kronig-Penney type is considered. The energy band structure, Bloch wave functions (BWF) in coordinate and momentum representation are investigated in detail. Two sharply distinguished groups of states, i.e. below-the-barrier and above-the-barrier, are extracted, and the role of both positively and negatively charged particles in the channeling is explained. It is shown that only with use of a dispersion equation form one can obtain the information on the symmetry properties of the BWF at the edges of energy bands. The estimate of the corresponding regions of the edge coherence in the Brillouin zone is given. In above-the-barrier case the nontrivial effect of parity interchange violation of BWF at the edges of energy bands, connected with the nullification of the reflection coefficient either from the single barrier or well is found. Oscillation behaviour of both allowed and forbidden band widths is revealed. The analytical results for different values of the parameters are illustrated by computer calculations

  16. Field measurements of the global UV-B radiation: a comparison between a broad-band radiometer and a Brewer spectrophotometer

    International Nuclear Information System (INIS)

    The spectral responsivity shape plays an important role in the prospect of a wide use of broad-band meters in the UV-B monitoring. As most UV-B broad-band meters have a responsivity approximating an erythemal action spectrum, a measurement campaign was planned to verify if such an instrument could be successfully used to measure the unfiltered global irradiance. A Yankee radiometer mod. UV-B 1 and a Brewer spectrophotometer, considered as a reference meter, were compared for this purpose. A short theoretical treatment of the Yankee radiometer response and some results of the comparison are shown. Only clear-sky days data are selected so that the UV-B radiation reaching the ground could be modelled as the sum of the direct and isotropic diffuse components. The comparison results show a good agreement between the two instruments and confirm the capability of a broad-band UV-B radiometer of correctly measuring the global irradiance

  17. Multiple Baseline SAR Tomography's Performance Analysis in Forest 3-D Structure Mapping with long term ALOS L band repeat pass InSAR data

    Science.gov (United States)

    Lin, Q.; Zebker, H. A.

    2013-12-01

    Acquiring accurate measurement of three-dimensional structure of forest globally , is key to improve quantitative understanding of the state and dynamics of ecosystems, particularly global carbon cycle. Moreover, forest contains a large portion of Earth's renewable natural resources. All these require an accurate, timely and cost-effective global forest vertical structure mapping. Synthetic Aperture Radar Interferometry (InSAR) remote sensing is widely acknowledged as a powerful tool to accomplish this task. Within the last decade, a number of experimental demonstrations of 3-D InSAR techniques have suggested the possibility of remotely sensing global 3-D vegetation structure. Among all the 3-D InSAR techniques, Multiple Baseline SAR Tomography( MB Tomo-SAR) is a very promising one. Multiple baseline SAR tomography exploits InSAR images acquired from different baselines and form a synthetic aperture in the vertical direction in order to retrieval vertical structure. Though theoretical predictions and several laboratory experiments show great reconstruction results, applying the method in real world condition still face a lot of challenges, including low acquisition number, irregular sample distribution, atmospheric phase noise and time decorrelation effect. In this article, we use L band ALOS spaceborne SAR data in Hawaii area to test the performance of MB TomoSAR . In the process, advanced Fourier beamforming method, atmospheric phase screen removal algorithm and time decorrelation effect are all applied. In addition, we also utilize the Landsat vegetation index and the result with other 3-D reconstruction methods as comparison to validate its performance.

  18. New results on the superdeformed {sup 196}Pb nucleus: The decay of the excited bands to the yrast band

    Energy Technology Data Exchange (ETDEWEB)

    Bouneau, S.; Azaiez, F.; Duprat, J. [IPN, Orsay (France)] [and others

    1996-12-31

    The study of the superdeformed (SD) {sup 196}Pb nucleus has been revisited using the EUROGAM phase 2 spectrometer. In addition to the known yrast and two lowest excited SD bands, a third excited SD band has been seen. All of the three excited bands were found to decay to the yrast SD band through, presumably, E1 transitions, allowing relative spin and excitation energy assignments. Comparisons with calculations using the random-phase approximation suggest that all three excited bands can be interpreted as octupole vibrational structures.

  19. Comparison of various decentralised structural and cavity feedback control strategies for transmitted noise reduction through a double panel structure

    NARCIS (Netherlands)

    Ho, Jen-Hsuan; Berkhoff, A.P.

    2014-01-01

    This paper compares various decentralised control strategies, including structural and acoustic actuator-sensor configuration designs, to reduce noise transmission through a double panel structure. The comparison is based on identical control stability indexes. The double panel structure consists of

  20. Photonic band gap materials

    International Nuclear Information System (INIS)

    An overview of the theoretical and experimental efforts in obtaining a photonic band gap, a frequency band in three-dimensional dielectric structures in which electromagnetic waves are forbidden, is presented