WorldWideScience

Sample records for surface band structures

  1. Surface band structures on Nb(001)

    International Nuclear Information System (INIS)

    Fang, B.; Lo, W.; Chien, T.; Leung, T.C.; Lue, C.Y.; Chan, C.T.; Ho, K.M.

    1994-01-01

    We report the joint studies of experimental and theoretical surface band structures of Nb(001). Angle-resolved photoelectron spectroscopy was used to determine surface-state dispersions along three high-symmetry axes bar Γ bar M, bar Γ bar X, and bar M bar X in the surface Brillouin zone. Ten surface bands have been identified. The experimental data are compared to self-consistent pseudopotential calculations for the 11-layer Nb(001) slabs that are either bulk terminated or fully relaxed (with a 12% contraction for the first interlayer spacing). The band calculations for a 12% surface-contracted slab are in better agreement with the experimental results than those for a bulk-terminated slab, except for a surface resonance near the Fermi level, which is related to the spin-orbit interaction. The charge profiles for all surface states or resonances have been calculated. Surface contraction effects on the charge-density distribution and the energy position of surface states and resonances will also be discussed

  2. Investigations of the Band Structure and Morphology of Nanostructured Surfaces

    Science.gov (United States)

    Knox, Kevin R.

    2011-12-01

    In this dissertation, I examine the electronic structure of two very different types of two-dimensional systems: valence band electrons in single layer graphene and electronic states created at the vacuum interface of single crystal copper surfaces. The characteristics of both electronic systems depend intimately on the morphology of the surfaces they inhabit. Thus, in addition to discussing the respective band structures of these systems, a significant portion of this dissertation will be devoted to measurements of the surface morphology of these systems. Free-standing exfoliated monolayer graphene is an ultra-thin flexible membrane and, as such, is known to exhibit large out-of-plane deformation due to substrate and adsorbate interaction as well as thermal vibrations and, possibly, intrinsic buckling. Such crystal deformation is known to limit mobility and increase local chemical reactivity. Additionally, deformations present a measurement challenge to researchers wishing to determine the band structure by angle-resolved photoemission since they limit electron coherence in such measurements. In this dissertation, I present low energy electron microscopy and micro probe diffraction measurements, which are used to image and characterize corrugation in SiO2-supported and suspended exfoliated graphene at nanometer length scales. Diffraction line-shape analysis reveals quantitative differences in surface roughness on length scales below 20 nm which depend on film thickness and interaction with the substrate. Corrugation decreases with increasing film thickness, reflecting the increased stiffness of multilayer films. Specifically, single-layer graphene shows a markedly larger short range roughness than multilayer graphene. Due to the absence of interactions with the substrate, suspended graphene displays a smoother morphology and texture than supported graphene. A specific feature of suspended single-layer films is the dependence of corrugation on both adsorbate load

  3. Disorder enabled band structure engineering of a topological insulator surface

    International Nuclear Information System (INIS)

    Xu, Yishuai; Chiu, Janet; Miao, Lin; He, Haowei

    2017-01-01

    Three-dimensional topological insulators are bulk insulators with Z 2 topological electronic order that gives rise to conducting light-like surface states. These surface electrons are exceptionally resistant to localization by non-magnetic disorder, and have been adopted as the basis for a wide range of proposals to achieve new quasiparticle species and device functionality. Recent studies have yielded a surprise by showing that in spite of resisting localization, topological insulator surface electrons can be reshaped by defects into distinctive resonance states. Here we use numerical simulations and scanning tunnelling microscopy data to show that these resonance states have significance well beyond the localized regime usually associated with impurity bands. Lastly, at native densities in the model Bi 2 X 3 (X=Bi, Te) compounds, defect resonance states are predicted to generate a new quantum basis for an emergent electron gas that supports diffusive electrical transport.

  4. Electronic structure and band alignment of 9,10-phenanthrenequinone passivated silicon surfaces

    Science.gov (United States)

    Avasthi, Sushobhan; Qi, Yabing; Vertelov, Grigory K.; Schwartz, Jeffrey; Kahn, Antoine; Sturm, James C.

    2011-07-01

    In this work we demonstrate that the room-temperature deposition of the organic molecule 9,10-phenanthrenequinone (PQ) reduces the surface defect density of the silicon (100) surface by chemically bonding to the surface dangling bonds. Using various spectroscopic measurements we have investigated the electronic structure and band alignment properties of the PQ/Si interface. The band-bending at the PQ-passivated silicon surface is negligible for both n- and p-type substrates, demonstrating a low density of surface defects. Finally we show that PQ forms a semiconducting wide-bandgap type-I heterojunction with silicon.

  5. Surface effect on band structure of flexural wave propagating in magneto-elastic phononic crystal nanobeam

    International Nuclear Information System (INIS)

    Zhang, Shunzu; Gao, Yuanwen

    2017-01-01

    A theoretical model is established to study the size-dependent performance of flexural wave propagation in magneto-elastic phononic crystal (PC) nanobeam with surface effect based on Euler–Bernoulli beam theory and Gurtin–Murdoch theory. Considering the magneto-mechanical coupling constitutive relation of magnetostrictive material, the influence of surface effect on band structure is calculated by the plane wave expansion method for PC nanobeam subjected to pre-stress and magnetic field loadings. Through the example of an epoxy/Terfenol-D PC nanobeam, it can be observed that the characteristics of flexural wave band structures are size-dependent, and remarkably affected by surface effect when the dimension of the PC beam reduces to the nanoscale. The edges and width of the band gap with surface effect are higher than those without surface effect, especially for high frequency region. And surface effect gradually reduces with the increasing of bulk layer-to-surface layer thickness ratio until the band gap descends to a constant for the conventional one in the absence of surface effect. The effects of surface elasticity and piezomagneticity on band gap are more prominent than the residual surface stress. In addition, a distinctly nonlinear variation of band gap appears under the combined effects of pre-stress and magnetic field. Moreover, with the varying of filling fraction, multi-peaks of the width of the band gap are obtained and discussed. These results could be helpful for the intelligent regulation of magneto-elastic PC nanobeam and the design of nanobeam-based devices. (paper)

  6. Surface effect on band structure of flexural wave propagating in magneto-elastic phononic crystal nanobeam

    Science.gov (United States)

    Zhang, Shunzu; Gao, Yuanwen

    2017-11-01

    A theoretical model is established to study the size-dependent performance of flexural wave propagation in magneto-elastic phononic crystal (PC) nanobeam with surface effect based on Euler-Bernoulli beam theory and Gurtin-Murdoch theory. Considering the magneto-mechanical coupling constitutive relation of magnetostrictive material, the influence of surface effect on band structure is calculated by the plane wave expansion method for PC nanobeam subjected to pre-stress and magnetic field loadings. Through the example of an epoxy/Terfenol-D PC nanobeam, it can be observed that the characteristics of flexural wave band structures are size-dependent, and remarkably affected by surface effect when the dimension of the PC beam reduces to the nanoscale. The edges and width of the band gap with surface effect are higher than those without surface effect, especially for high frequency region. And surface effect gradually reduces with the increasing of bulk layer-to-surface layer thickness ratio until the band gap descends to a constant for the conventional one in the absence of surface effect. The effects of surface elasticity and piezomagneticity on band gap are more prominent than the residual surface stress. In addition, a distinctly nonlinear variation of band gap appears under the combined effects of pre-stress and magnetic field. Moreover, with the varying of filling fraction, multi-peaks of the width of the band gap are obtained and discussed. These results could be helpful for the intelligent regulation of magneto-elastic PC nanobeam and the design of nanobeam-based devices.

  7. Surface plasmon polariton band gap structures: implications to integrated plasmonic circuits

    DEFF Research Database (Denmark)

    Bozhevolnyi, S. I.; Volkov, V. S.; Østergaard, John Erland

    2001-01-01

    Conventional photonic band gap (PBG) structures are composed of regions with periodic modulation of refractive index that do not allow the propagation of electromagnetic waves in a certain interval of wavelengths, i.e., that exhibit the PBG effect. The PBG effect is essentially an interference...... phenomenon related to strong multiple scattering of light in periodic media. The interest to the PBG structures has dramatically risen since the possibility of efficient waveguiding around a sharp corner of a line defect in the PBG structure has been pointed out. Given the perspective of integrating various...... PBG-based components within a few hundred micrometers, we realized that other two-dimensional waves, e.g., surface plasmon polaritons (SPPs), might be employed for the same purpose. The SPP band gap (SPPBG) has been observed for the textured silver surfaces by performing angular measurements...

  8. Fermi surface and band structure of BiPd from ARPES studies

    Science.gov (United States)

    Lohani, H.; Mishra, P.; Gupta, Anurag; Awana, V. P. S.; Sekhar, B. R.

    2017-03-01

    We present a detailed electronic structure study of the non-centrosymmetric superconductor BiPd based on our angle resolved photoemission spectroscopy (ARPES) measurements and Density Functional Theory (DFT) based calculations. We observe a high intensity distribution on the Fermi surface (FS) of this compound resulting from various electron and hole like bands which are present in the vicinity of the Fermi energy (Ef). The near Ef states are primarily composed of Bi-6p with a little admixture of Pd-4dx2-y2/zy orbitals. There are various spin-orbit split bands involved in the crossing of Ef making a complex FS. The FS mainly consists of multi sheets of three dimensions which disfavor the nesting between different sheets of the FS. Our comprehensive study elucidates that BiPd could be a s-wave multiband superconductor.

  9. Metal-like Band Structures of Ultrathin Si {111} and {112} Surface Layers Revealed through Density Functional Theory Calculations.

    Science.gov (United States)

    Tan, Chih-Shan; Huang, Michael H

    2017-09-04

    Density functional theory calculations have been performed on Si (100), (110), (111), and (112) planes with tunable number of planes for evaluation of their band structures and density of states profiles. The purpose is to see whether silicon can exhibit facet-dependent properties derived from the presence of a thin surface layer having different band structures. No changes have been observed for single to multiple layers of Si (100) and (110) planes with a consistent band gap between the valence band and the conduction band. However, for 1, 2, 4, and 5 Si (111) and (112) planes, metal-like band structures were obtained with continuous density of states going from the valence band to the conduction band. For 3, 6, and more Si (111) planes, as well as 3 and 6 Si (112) planes, the same band structure as that seen for Si (100) and (110) planes has been obtained. Thus, beyond a layer thickness of five Si (111) planes at ≈1.6 nm, normal semiconductor behavior can be expected. The emergence of metal-like band structures for the Si (111) and (112) planes are related to variation in Si-Si bond length and bond distortion plus 3s and 3p orbital electron contributions in the band structure. This work predicts possession of facet-dependent electrical properties of silicon with consequences in FinFET transistor design. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. 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

  11. Photonic band structure computations.

    Science.gov (United States)

    Hermann, D; Frank, M; Busch, K; Wolfle, P

    2001-01-29

    We introduce a novel algorithm for band structure computations based on multigrid methods. In addition, we demonstrate how the results of these band structure calculations may be used to compute group velocities and effective photon masses. The results are of direct relevance to studies of pulse propagation in such materials.

  12. Volume and surface photoemission from tungsten. I. Calculation of band structure and emission spectra

    DEFF Research Database (Denmark)

    Christensen, N. Egede; Feuerbacher, B.

    1974-01-01

    of photoemission spectra from W single crystals. The nondirect as well as the direct models for bulk photoemission processes are investigated. The emission from the three low-index surfaces (100), (110), and (111) exhibits strong dependence on direction and acceptance cone. According to the present band model...... there should essentially be no emission normal to the (110) face for photon energies between 9.4 and 10.6 eV. Experimental observation of emission in this gap, however, implies effects not included in the simple bulk models. In particular, effects arising from surface emission have been considered, i.......e., emission of those electrons which are excited in a single-step process from initial states near the surface to final states outside the crystal. The electrons that are emitted from the surface in directions perpendicular to the crystal planes carry information on the one-dimensional surface density...

  13. 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......-orbit splitting, and of another closed sheet. Earlier de Haas-van Alphen results are explained semiquantitatively by the model, which also accounts for open orbits seen in high-field magnetoresistance experiments....

  14. Fermi surface changes in dilute magnesium alloys: a pseudopotential band structure model

    International Nuclear Information System (INIS)

    Fung, W.K.

    1976-01-01

    The de Haas-van Alphen effect has been used to study the Fermi surface of pure magnesium and its dilute alloys containing lithium and indium. The quantum oscillations in magnetization were detected by means of a torque magnetometer in magnetic field up to 36 kilogauss and temperature range of 4.2 0 to 1.7 0 K. The results provide information on the effects of lithium and indium solutes on the Fermi surface of magnesium in changes of extremal cross sections and effective masses as well as the relaxation times associated with the orbits. The nonlocal pseudopotential model proposed by Kimball, Stark and Mueller has been fitted to the Fermi surface of magnesium and extended to include the dilute alloys, fitting all the observed de Haas-van Alphen frequencies with an accuracy of better than 1 percent. A modified rigid band interpretation including both Fermi energy and local band edge changes computed from the model, gives an overall satisfactory description of the observed frequency shifts. With the pseudo-wavefunctions provided by the nonlocal model, the relaxation times in terms of Dingle temperatures for several orbits have been predicted using Sorbello's multiple-plane-wave phase shift model. The calculation with phase shifts obtained from a model potential yields a greater anisotropy than has been observed experimentally, while a two-parameter phase shift model provides a good fit to the experimental results

  15. Band structure engineering of monolayer MoS₂ by surface ligand functionalization for enhanced photoelectrochemical hydrogen production activity.

    Science.gov (United States)

    Pan, Jing; Wang, Zilu; Chen, Qian; Hu, Jingguo; Wang, Jinlan

    2014-11-21

    To achieve photoelectrochemical (PEC) activity of MoS2 for hydrogen production through water splitting, the band edges of MoS2 should match with the hydrogen and oxygen production levels. Our first-principles calculations show that the band edges of monolayer MoS2 can be effectively tuned by surface ligand functionalization, resulting from the intrinsic dipole of the ligand itself and the induced dipole at the ligand/MoS2 interface. We further explore the influence of ligand coverage, ligand functionalization and the substrate on the band structure of MoS2. The hybrid C6H5CH2NH2/MoS2/graphene structures may be compelling candidates as they satisfy the stringent requirements of PEC water splitting.

  16. 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...

  17. Energy band structure, fermi surfaces, magnetization densities, and properties of the rare-earths and actinides

    International Nuclear Information System (INIS)

    Freeman, A.J.

    1977-01-01

    Some aspects of the predictions of energy band theory for both the rare earths and actinides and their comparison with experiment are discussed. Recent developments in assessing eigenfunction behavior are emphasized. 5 figures

  18. Propagation of long-range surface plasmon polaritons in photonic band gap structures

    DEFF Research Database (Denmark)

    Boltasseva, Alexandra; Søndergaard, Thomas; Nikolajsen, Thomas

    2005-01-01

    We study the interaction of long-range surface plasmon polaritons (LR-SPPs), excited at telecommunication wavelengths, with photonic crystals (PCs) formed by periodic arrays of gold bumps that are arranged in a triangular lattice and placed symmetrically on both sides of a thin gold fil embedded...... in polymer. Radiation is delivered to and from the PC structures with the help of LR-SPP guides that consist of 8 mm wide and 15 nm thick gold stripes attached to wide film sections (of the same thickness) covered with bumps (diameter ~300 nm, height up to 150 nm on each side of the film). We investigate......, is rather weak, so that the photonic bandgap effect might be expected to take place only for some particular propagation directions. Preliminary experiments on LR-SPP bending and splitting at large angles are reported, and further research directions are discussed....

  19. Microstrip microwave band gap structures

    Indian Academy of Sciences (India)

    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 ...

  20. Adsorption of Ti on LiAlH4 surfaces studied by band structure calculations

    International Nuclear Information System (INIS)

    Loevvik, O.M.

    2004-01-01

    LiAlH 4 is a potential light-weight hydrogen storage material if hydrogenation can be made reversible. In NaAlH 4 this may be done by adding small amounts of Ti, but the same effect has not yet been observed in LiAlH 4 . To understand these mechanisms, detailed studies of the materials with and without the additive are necessary. In this study, two-dimensional slabs representing the open (0 1 0) and densely packed (1 0 1) surfaces of LiAlH 4 have been used to model adsorption of titanium atoms on those surfaces. The results show that the Ti atom tends to move below the surface towards interstitial sites rather than binding to a Li ion or AlH 4 complex at the surface

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

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Christensen, N. E.

    1973-01-01

    , but that their position relative to the Fermi level is correct. The derived Fermi-surface model allows a detailed interpretation of the de Hass-van Alphen (dHvA) data. The present model has no open orbit along for B→∥ 〈110〉. This agrees with dHvA as well as magnetoresistance measurements. Four new extremal cross sections...

  2. Band structure and fermi surface of an extremely overdoped iron-based superconductor KFe2As2.

    Science.gov (United States)

    Sato, T; Nakayama, K; Sekiba, Y; Richard, P; Xu, Y-M; Souma, S; Takahashi, T; Chen, G F; Luo, J L; Wang, N L; Ding, H

    2009-07-24

    We have performed high-resolution angle-resolved photoemission spectroscopy on heavily overdoped KFe_{2}As_{2} (transition temperature T_{c} = 3 K). We observed several renormalized bands near the Fermi level with a renormalization factor of 2-4. While the Fermi surface around the Brillouin-zone center is qualitatively similar to that of optimally doped Ba_{1-x}K_{x}Fe_{2}As_{2} (x = 0.4; T_{c} = 37 K), the Fermi surface topology around the zone corner (M point) is markedly different: the two electron Fermi surface pockets are completely absent due to an excess of hole doping. This result indicates that the electronic states around the M point play an important role in the high-T_{c} superconductivity of Ba_{1-x}K_{x}Fe_{2}As_{2} and suggests that the interband scattering via the antiferromagnetic wave vector essentially controls the T_{c} value in the overdoped region.

  3. Revisiting magnetism of capped Au and ZnO nanoparticles: Surface band structure and atomic orbital with giant magnetic moment

    Energy Technology Data Exchange (ETDEWEB)

    Hernando, Antonio; Crespo, Patricia [Instituto de Magnetismo Aplicado, UCM-CSIC-ADIF, Las Rozas. P.O. Box 155, 28230 Madrid (Spain); Dept. Fisica de Materiales, Universidad Complutense, Madrid (Spain); Garcia, Miguel Angel [Instituto de Ceramica y Vidrio, CSIC, C/ Kelsen, 5, Madrid 28049 (Spain); Coey, Michael [Trinity College Dublin, Dublin (Ireland); Ayuela, Andres; Echenique, Pedro Miguel [Centro de Fisica de Materiales, CFM-MPC CSIC-UPV/EHU, Donostia International Physics Center (DIPC), 20018 San Sebastian (Spain); Departamento de Fisica de Materiales, Fac. de Quimicas, Universidad del Pais Vasco UPV-EHU, 20018 San Sebastian (Spain)

    2011-10-15

    In this article we review the exotic magnetism of nanoparticles (NPs) formed by substances that are not magnetic in bulk as described with generality in Section 1. In particular, the intrinsic character of the magnetism observed on capped Au and ZnO NPs is analysed. X-ray magnetic circular dichroism (XMCD) analysis has shown that the magnetic moments are intrinsic and lie in the Au and Zn atoms, respectively, as analysed in Section 2, where the general theoretical ideas are also revisited. Since impurity atoms bonded to the surface act as donor or acceptor of electrons that occupy the surface states, the anomalous magnetic response is analysed in terms of the surface band in Section 3. Finally, Section 4 summarizes our last theoretical proposal. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Characterization of the Fermi surface of BEDT-TTF4[Hg2Cl6].PhCl by electronic band structure calculations

    International Nuclear Information System (INIS)

    Veiros, L.F.; Canadell, E.

    1994-01-01

    Tight-binding band structure calculations for the room temperature structure of BEDT-TTF 4 [Hg 2 Cl 6 ]-PhCl show the existence of closed electron and hole Fermi surfaces, in agreement with the 2D metallic conductivity of this salt. It is shown that these closed Fermi surfaces result from the hybridization of two hidden 1D Fermi surfaces. However, our study also shows that a transition associated with either a usual or a hidden nesting type mechanism is unlikely. This explains why this salt retains its metallic properties without any resistivity anomaly down to 1.3 K. Our study suggests that BEDT-TTF 4 [Hg 2 Cl 6 ]-PhCl is somewhat anisotropic 2D semimetal and should exhibit Shubnikov-de Haas oscillations corresponding to a cross-sectional area of approximately 13% of the first Brillouin zone. (orig.)

  5. 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.

  6. The (001) 3C SiC surface termination and band structure after common wet chemical etching procedures, stated by XPS, LEED, and HREELS

    Science.gov (United States)

    Tengeler, Sven; Kaiser, Bernhard; Ferro, Gabriel; Chaussende, Didier; Jaegermann, Wolfram

    2018-01-01

    The (001) surface of cubic silicon carbide (3C SiC) after cleaning, Ar sputtering and three different wet chemical etching procedures was thoroughly investigated via (angle resolved) XPS, HREELS, and LEED. While Ar sputtering was found to be unsuitable for surface preparation, all three employed wet chemical etching procedures (piranha/NH4F, piranha/HF, and RCA) provide a clean surface. HF as oxide removal agent tends to result in fluorine traces on the sample surface, despite thorough rinsing. All procedures yield a 1 × 1 Si-OH/C-H terminated surface. However, the XPS spectra reveal some differences in the resulting surface states. NH4F for oxide removal produces a flat band situation, whereas the other two procedures result in a slight downward (HF) or upward (RCA) band bending. Because the band bending is small, it can be concluded that the number of unsaturated surface defects is low.

  7. 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...

  8. Band mapping of surface states vs. adsorbate coverage

    International Nuclear Information System (INIS)

    Rotenberg, E.; Kevan, S.D.; Denlinger, J.D.; Chung, Jin-Wook

    1997-01-01

    The theory of electron bands, which arises from basic quantum mechanical principles, has been the cornerstone of solid state physics for over 60 years. Simply put, an energy band is an electron state in a solid whose energy varies with its momentum (similar to, but with a more complicated dependence than, how a free electron's energy is proportional to its momentum squared). Much attention over the last 15 years has been given to the study of band structure of surfaces and interfaces, especially as the applications of these two-dimensional systems have become increasingly important to industry and science. The ultraESCA endstation at beamline 7.01 at the Advanced Light Source was developed for very high-energy - (∼50 meV) and angular - ( 12 photons/sec) makes the detailed study of the evolution of bands possible. The authors are interested in learning how, when one forms a chemical bond between a metal and an overlaying atom or molecule, the resulting charge transfer to or from the adsorbate affects the surface bands. In some cases of interest, intermediate coverages lead to different band structure than at the extremes of clean and saturated surfaces. Surfaces of tungsten are particularly interesting, as their atomic geometry has been shown to be exquisitely sensitive to both the surface vibrational and electronic properties. In this study, the authors looked at the surface bands of tungsten ((110) surface), as a function both of coverage and mass of overlaying atoms. The adsorbed atoms were hydrogen and the alkali atoms lithium and cesium

  9. 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...

  10. Complex band structure and electronic transmission eigenchannels

    DEFF Research Database (Denmark)

    Jensen, Anders; Strange, Mikkel; Smidstrup, Soren

    2017-01-01

    molecular junctions. The molecular junctions show that both the length dependence of the total transmission and the individual transmission eigenvalues can be, almost always, found through the complex band structure. The complex band structure of the semi-conducting material, however, does not predict...

  11. Multiple band structures in 70Ge

    Science.gov (United States)

    Haring-Kaye, R. A.; Morrow, S. I.; Döring, J.; Tabor, S. L.; Le, K. Q.; Allegro, P. R. P.; Bender, P. C.; Elder, R. M.; Medina, N. H.; Oliveira, J. R. B.; Tripathi, Vandana

    2018-02-01

    High-spin states in 70Ge were studied using the 55Mn(18O,p 2 n ) fusion-evaporation reaction at a beam energy of 50 MeV. Prompt γ -γ coincidences were measured using the Florida State University Compton-suppressed Ge array consisting of three Clover detectors and seven single-crystal detectors. An investigation of these coincidences resulted in the addition of 31 new transitions and the rearrangement of four others in the 70Ge level scheme, providing a more complete picture of the high-spin decay pattern involving both positive- and negative-parity states with multiple band structures. Spins were assigned based on directional correlation of oriented nuclei ratios, which many times also led to unambiguous parity determinations based on the firm assignments for low-lying states made in previous work. Total Routhian surface calculations, along with the observed trends in the experimental kinematic moment of inertia with rotational frequency, support the multiquasiparticle configurations of the various crossing bands proposed in recent studies. The high-spin excitation spectra predicted by previous shell-model calculations compare favorably with the experimental one determined from this study.

  12. 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...

  13. Pass-band reconfigurable spoof surface plasmon polaritons

    Science.gov (United States)

    Zhang, Hao Chi; He, Pei Hang; Gao, Xinxin; Tang, Wen Xuan; Cui, Tie Jun

    2018-04-01

    In this paper, we introduce a new scheme to construct the band-pass tunable filter based on the band-pass reconfigurable spoof surface plasmon polaritons (SPPs), whose cut-off frequencies at both sides of the passband can be tuned through changing the direct current (DC) bias of varactors. Compared to traditional technology (e.g. microstrip filters), the spoof SPP structure can provide more tight field confinement and more significant field enhancement, which is extremely valuable for many system applications. In order to achieve this scheme, we proposed a specially designed SPP filter integrated with varactors and DC bias feeding structure to support the spoof SPP passband reconfiguration. Furthermore, the full-wave simulated result verifies the outstanding performance on both efficiency and reconfiguration, which has the potential to be widely used in advanced intelligent systems.

  14. Deformed configurations, band structures and spectroscopic ...

    Indian Academy of Sciences (India)

    2014-03-20

    Mar 20, 2014 ... 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 ...

  15. Deformed configurations, band structures and spectroscopic ...

    Indian Academy of Sciences (India)

    2014-03-20

    Mar 20, 2014 ... Here, we study theoretically the low-lying as well as the excited deformed bands and their electromagnetic properties to search for various structures, spherical and deformed, of the exotic nuclei 82Ge and 84Se by employing the deformed Hartree–Fock (HF) and angular momentum (J) projection method ...

  16. Surface Floating 2D Bands in Layered Nonsymmorphic Semimetals: ZrSiS and Related Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Topp, Andreas; Queiroz, Raquel; Grüneis, Andreas; Müchler, Lukas; Rost, Andreas W.; Varykhalov, Andrei; Marchenko, Dmitry; Krivenkov, Maxim; Rodolakis, Fanny; McChesney, Jessica L.; Lotsch, Bettina V.; Schoop, Leslie M.; Ast, Christian R.

    2017-12-01

    In this work, we present a model of the surface states of nonsymmorphic semimetals. These are derived from surface mass terms that lift the high degeneracy imposed in the band structure by the nonsymmorphic bulk symmetries. Reflecting the reduced symmetry at the surface, the bulk bands are strongly modified. This leads to the creation of two-dimensional floating bands, which are distinct from Shockley states, quantum well states or topologically protected surface states. We focus on the layered semimetal ZrSiS to clarify the origin of its surface states. We demonstrate an excellent agreement between DFT calculations and ARPES measurements and present an effective four-band model in which similar surface bands appear. Finally, we emphasize the role of the surface chemical potential by comparing the surface density of states in samples with and without potassium coating. Our findings can be extended to related compounds and generalized to other crystals with nonsymmorphic symmetries.

  17. Direct observation of a surface resonance state and surface band inversion control in black phosphorus

    Science.gov (United States)

    Ehlen, N.; Sanna, A.; Senkovskiy, B. V.; Petaccia, L.; Fedorov, A. V.; Profeta, G.; Grüneis, A.

    2018-01-01

    We report a Cs-doping-induced band inversion and the direct observation of a surface resonance state with an elliptical Fermi surface in black phosphorus (BP) using angle-resolved photoemission spectroscopy. By selectively inducing a higher electron concentration (1.7 ×1014cm-2 ) in the topmost layer, the changes in the Coulomb potential are sufficiently large to cause surface band inversion between the parabolic valence band of BP and a parabolic surface state around the Γ point of the BP Brillouin zone. Tight-binding calculations reveal that band gap openings at the crossing points in the two high-symmetry directions of the Brillouin zone require out-of-plane hopping and breaking of the glide mirror symmetry. Ab initio calculations are in very good agreement with the experiment if a stacking fault on the BP surface is taken into account. The demonstrated level of control over the band structure suggests the potential application of few-layer phosphorene in topological field-effect transistors.

  18. Wakefield Band Partitioning in LINAC Structures

    International Nuclear Information System (INIS)

    Jones, Roger M

    2003-01-01

    In the NLC project multiple bunches of electrons and positrons will be accelerated initially to a centre of mass of 500 GeV and later to 1 TeV or more. In the process of accelerating 192 bunches within a pulse train, wakefields are excited which kick the trailing bunches off axis and can cause luminosity dilution and BBU (Beam Break Up). Several structures to damp the wakefield have been designed and tested at SLAC and KEK and these have been found to successfully damp the wakefield [1]. However, these 2π/3 structures suffered from electrical breakdown and this has prompted us to explore lower group velocity structures operating at higher fundamental mode phase advances. The wakefield partitioning amongst the bands has been found to change markedly with increased phase advance. Here we report on general trends in the kick factor and associated wakefield band partitioning in dipole bands as a function of phase advance of the synchronous mode in linacs. These results are applicable to both TW (travelling wave) and SW (standing wave) structures

  19. X-band photonic band-gap accelerator structure breakdown experiment

    Directory of Open Access Journals (Sweden)

    Roark A. Marsh

    2011-02-01

    Full Text Available 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.

  20. Trigger of the Ubiquitous Surface Band Bending in 3D Topological Insulators

    Directory of Open Access Journals (Sweden)

    E. Frantzeskakis

    2017-11-01

    Full Text Available The main scientific activity in the field of topological insulators (TIs consists of determining their electronic structure by means of magnetotransport and electron spectroscopy with a view to devices based on topological transport. There is, however, a caveat in this approach. There are systematic experimental discrepancies on the electronic structure of the most pristine surfaces of TI single crystals as determined by Shubnikov–de Haas oscillations and by angle-resolved photoelectron spectroscopy (ARPES. We identify intense ultraviolet illumination—that is inherent to an ARPES experiment—as the source for these experimental differences. We explicitly show that illumination is the key parameter, or in other words, the trigger, for energetic shifts of electronic bands near the surface of a TI crystal. This finding revisits the common belief that surface decoration is the principal cause of surface band bending and explains why band bending is not a prime issue in illumination-free magnetotransport studies. Our study further clarifies the role of illumination on the electronic band structure of TIs by revealing its dual effect: downward band bending on very small time scales followed by band flattening at large time scales. Our results therefore allow us to present and predict the complete evolution of the band structure of TIs in a typical ARPES experiment. By virtue of our findings, we pinpoint two alternatives of how to approach flat-band conditions by means of photon-based techniques and we suggest a microscopic mechanism that can explain the underlying phenomena.

  1. Trigger of the Ubiquitous Surface Band Bending in 3D Topological Insulators

    Science.gov (United States)

    Frantzeskakis, E.; Ramankutty, S. V.; de Jong, N.; Huang, Y. K.; Pan, Y.; Tytarenko, A.; Radovic, M.; Plumb, N. C.; Shi, M.; Varykhalov, A.; de Visser, A.; van Heumen, E.; Golden, M. S.

    2017-10-01

    The main scientific activity in the field of topological insulators (TIs) consists of determining their electronic structure by means of magnetotransport and electron spectroscopy with a view to devices based on topological transport. There is, however, a caveat in this approach. There are systematic experimental discrepancies on the electronic structure of the most pristine surfaces of TI single crystals as determined by Shubnikov-de Haas oscillations and by angle-resolved photoelectron spectroscopy (ARPES). We identify intense ultraviolet illumination—that is inherent to an ARPES experiment—as the source for these experimental differences. We explicitly show that illumination is the key parameter, or in other words, the trigger, for energetic shifts of electronic bands near the surface of a TI crystal. This finding revisits the common belief that surface decoration is the principal cause of surface band bending and explains why band bending is not a prime issue in illumination-free magnetotransport studies. Our study further clarifies the role of illumination on the electronic band structure of TIs by revealing its dual effect: downward band bending on very small time scales followed by band flattening at large time scales. Our results therefore allow us to present and predict the complete evolution of the band structure of TIs in a typical ARPES experiment. By virtue of our findings, we pinpoint two alternatives of how to approach flat-band conditions by means of photon-based techniques and we suggest a microscopic mechanism that can explain the underlying phenomena.

  2. Changing optical band structure with single photons

    Science.gov (United States)

    Albrecht, Andreas; Caneva, Tommaso; Chang, Darrick E.

    2017-11-01

    Achieving strong interactions between individual photons enables a wide variety of exciting possibilities in quantum information science and many-body physics. Cold atoms interfaced with nanophotonic structures have emerged as a platform to realize novel forms of nonlinear interactions. In particular, when atoms are coupled to a photonic crystal waveguide, long-range atomic interactions can arise that are mediated by localized atom-photon bound states. We theoretically show that in such a system, the absorption of a single photon can change the band structure for a subsequent photon. This occurs because the first photon affects the atoms in the chain in an alternating fashion, thus leading to an effective period doubling of the system and a new optical band structure for the composite atom-nanophotonic system. We demonstrate how this mechanism can be engineered to realize a single-photon switch, where the first incoming photon switches the system from being highly transmissive to highly reflective, and analyze how signatures can be observed via non-classical correlations of the outgoing photon field.

  3. Three-dimensional photonic band gaps in woven structures

    CERN Document Server

    Tsai Ya Chih; Pendry, J B

    1998-01-01

    In this paper, we studied the photonic properties of dielectric fibres woven into three-dimensional (3D) structures. Such fibres can be fabricated on the micrometre scale, and hence the gaps are in the far-infrared to the infrared regime. The vector-wave transfer matrix method is applied to evaluate the photonic band structures. We have also employed the constant-frequency dispersion surface scheme to investigate the development of a full band gap. Such a 3D absolute gap is observed in a rectangular lattice, but at a fairly large dielectric constant for the fibres. Ways to improve on this have been suggested. Our study indicates that woven structures are promising materials for realizing the 3D photonic insulator in the infrared regime. (author)

  4. V-Band Wireless Surface Networks Project

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA GLENN RESEARCH CENTER in Topic O1.10 has identified the need to provide surface communications networks for human and robotic missions to explore the Moon and...

  5. 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 p bands for the HCP structure. Energy bands have been evaluated both with and without spin-orbit coupling which is particularly large in thallium. Energy bands close to the Fermi level were found to be mainly 6p like in character. The 6s states lay below the 6p bands and were separated from them...

  6. 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.

  7. Electronic band structures of binary skutterudites

    International Nuclear Information System (INIS)

    Khan, Banaras; Aliabad, H.A. Rahnamaye; Saifullah; Jalali-Asadabadi, S.; Khan, Imad; Ahmad, Iftikhar

    2015-01-01

    The electronic properties of complex binary skutterudites, MX 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

  8. Band structures in fractal grading porous phononic crystals

    Science.gov (United States)

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

    2018-05-01

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

  9. Large Rashba spin splitting of a metallic surface-state band on a semiconductor surface

    Science.gov (United States)

    Yaji, Koichiro; Ohtsubo, Yoshiyuki; Hatta, Shinichiro; Okuyama, Hiroshi; Miyamoto, Koji; Okuda, Taichi; Kimura, Akio; Namatame, Hirofumi; Taniguchi, Masaki; Aruga, Tetsuya

    2010-01-01

    The generation of spin-polarized electrons at room temperature is an essential step in developing semiconductor spintronic applications. To this end, we studied the electronic states of a Ge(111) surface, covered with a lead monolayer at a fractional coverage of 4/3, by angle-resolved photoelectron spectroscopy (ARPES), spin-resolved ARPES and first-principles electronic structure calculation. We demonstrate that a metallic surface-state band with a dominant Pb 6p character exhibits a large Rashba spin splitting of 200 meV and an effective mass of 0.028 me at the Fermi level. This finding provides a material basis for the novel field of spin transport/accumulation on semiconductor surfaces. Charge density analysis of the surface state indicated that large spin splitting was induced by asymmetric charge distribution in close proximity to the nuclei of Pb atoms. PMID:20975678

  10. Recent Asteroid Disruptions in the WISE Dataset - Constraining Asteroid Surface Properties Using Solar System Dust Bands

    Science.gov (United States)

    Kehoe, A. E.; Shaw, C.; Kehoe, T. J. J.

    2017-12-01

    Zodiacal dust bands are a fine-structure feature of the mid-IR emission profile of the zodiacal cloud. The dust bands have been studied for many years dating back to the InfraRed Astronomical Satellite (IRAS) data of the 1980's. The recent discovery and modeling (Espy et al., 2009; 2010; Espy Kehoe et al., 2015) of a very young, still-forming dust band structure has shown that, in the early stages following an asteroid disruption, much information on the dust parameters of the original disruption is retained in the band. Partial dust bands allow a never-before-seen observational look at the size distribution and cross-sectional area of dust produced in an asteroidal disruption, before it has been lost or significantly altered by orbital and collisional decay. The study of these partial band structures reveals information on the way asteroids disrupt and allow us to reconstruct the surface properties of the parent asteroid, including the depth of the surface regolith and the size distribution of particles composing the regolith. Using the greatly increased sensitivity of the Wide-field Infrared Survey Explorer (WISE), we can now detect much fainter (and thus younger) dust bands. The WISE data also reveals much better longitudinal resolution of the bands, allowing a better constraint on the source and age of the disruption. We will present our newest results from the WISE dataset, including detection of faint partial dust bands, improved models of more prominent bands, and our constraints on the asteroid surface properties from modeling these structures.

  11. Deformed configurations, band structures and spectroscopic ...

    Indian Academy of Sciences (India)

    2014-03-20

    Mar 20, 2014 ... nuclei, e.g., in 16O (Z = N = 8) [12,13] and 56Ni (Z = N = 28) [14–16], coexisting with the spherical ground configuration. Recently, Hwang et al [2] have observed deformed rotational bands in 82Ge. To our knowledge, these deformed rotational bands have not been studied theoretically so far though there ...

  12. ARPES measurements of SnAs electronic band structure

    Science.gov (United States)

    Bezotosnyi, P. I.; Dmitrieva, K. A.; Gavrilkin, S. Yu.; Pervakov, K. S.; Tsvetkov, A. Yu.; Martovitski, V. P.; Rybkin, A. G.; Vilkov, O. Yu.; Pudalov, V. M.

    2017-10-01

    We report experimental study of the electronic band structure of SnAs superconductor with the NaCl type lattice structure by angular resolved photoelectron spectroscopy (ARPES). The determined band structure, in general, is in a good agreement with the calculated one. However, at odd with the calculated band structure, the experimental data reveals splitting of one of the upper valence bands into three branches along the \\bar K - \\bar Γ - \\bar K and \\bar M - \\bar Γ - \\bar M' symmetry directions. We assume this splitting can be caused by the spin orbit coupling of electrons or a mixed valence of Sn atoms in the compound.

  13. Effects of phosphorus-doping on energy band-gap, structural, surface, and photocatalytic characteristics of emulsion-based sol-gel derived TiO{sub 2} nano-powder

    Energy Technology Data Exchange (ETDEWEB)

    Ganesh, Ibram, E-mail: ibramganesh@arci.res.in

    2017-08-31

    Highlights: • Reported a novel route to synthesize high specific surface area P-doped TiO{sub 2} nano-powder photocatalysts. • Established methylene blue dye-sensitization mechanism of TiO{sub 2} photocatalyst. • Established the effects of methylene blue adsorption on the surface, structural and photocatalytic activity of P-doped TiO{sub 2}. • Established true quantum efficiency determination method for TiO{sub 2} photocatalysis. - Abstract: Different amounts of phosphorus (P)-doped TiO{sub 2} (PDT) nano-powders (P = 0–10 wt.%) were synthesized by following a new emulsion-based sol-gel (EBSG) route and calcined at 400 °C–800 °C for 6 h. These calcined PDT powders were then thoroughly characterized by means of XRD, XPS, SEM, FT-IR, FT-Raman, DRS, BET surface area, zeta-potential, cyclic-voltammetry and photocatalytic evaluation using methylene blue (MB) as a model-pollutant and established the effects of phosphorous doping on structural, surface, band-gap energy, and photocatalytic characteristics of TiO{sub 2} nano-powder formed in EBSG route. The characterization results suggest that the EBSG derived TiO{sub 2} nano-powder after calcination at 400 °C for 6 h is in the form of anatase phase when it was doped with <8 wt.% P, and it is in the amorphous state when doped with >8 wt.% P. Furthermore, these EBSG derived PDT powders own high negative zeta-potentials, high specific surface areas (up to >250 m{sup 2}/g), and suitable band-gap energies (<3.34 eV). Surprisingly, these PDT powders exhibit very high MB adsorption (up to 50%) from its aqueous 0.01 mM, 0.02 mM and 0.03 mM solutions during 30 min stirring in the dark, whereas, the commercial Degussa P-25 TiO{sub 2} nano-powder shows no adsorption. Among various photocatalysts investigated in this study, the 1 wt.% P-doped TiO{sub 2} nano-powder formed in EBSG route exhibited the highest photocatalytic activity for MB degradation reaction.

  14. Engineering the Electronic Band Structure for Multiband Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, N.; Reichertz, L.A.; Yu, K.M.; Campman, K.; Walukiewicz, W.

    2010-07-12

    Using the unique features of the electronic band structure of GaNxAs1-x alloys, we have designed, fabricated and tested a multiband photovoltaic device. The device demonstrates an optical activity of three energy bands that absorb, and convert into electrical current, the crucial part of the solar spectrum. The performance of the device and measurements of electroluminescence, quantum efficiency and photomodulated reflectivity are analyzed in terms of the Band Anticrossing model of the electronic structure of highly mismatched alloys. The results demonstrate the feasibility of using highly mismatched alloys to engineer the semiconductor energy band structure for specific device applications.

  15. Bi-directional evolutionary optimization for photonic band gap structures

    Science.gov (United States)

    Meng, Fei; Huang, Xiaodong; Jia, Baohua

    2015-12-01

    Toward an efficient and easy-implement optimization for photonic band gap structures, this paper extends the bi-directional evolutionary structural optimization (BESO) method for maximizing photonic band gaps. Photonic crystals are assumed to be periodically composed of two dielectric materials with the different permittivity. Based on the finite element analysis and sensitivity analysis, BESO starts from a simple initial design without any band gap and gradually re-distributes dielectric materials within the unit cell so that the resulting photonic crystal possesses a maximum band gap between two specified adjacent bands. Numerical examples demonstrated the proposed optimization algorithm can successfully obtain the band gaps from the first to the tenth band for both transverse magnetic and electric polarizations. Some optimized photonic crystals exhibit novel patterns markedly different from traditional designs of photonic crystals.

  16. Bi-directional evolutionary optimization for photonic band gap structures

    International Nuclear Information System (INIS)

    Meng, Fei; Huang, Xiaodong; Jia, Baohua

    2015-01-01

    Toward an efficient and easy-implement optimization for photonic band gap structures, this paper extends the bi-directional evolutionary structural optimization (BESO) method for maximizing photonic band gaps. Photonic crystals are assumed to be periodically composed of two dielectric materials with the different permittivity. Based on the finite element analysis and sensitivity analysis, BESO starts from a simple initial design without any band gap and gradually re-distributes dielectric materials within the unit cell so that the resulting photonic crystal possesses a maximum band gap between two specified adjacent bands. Numerical examples demonstrated the proposed optimization algorithm can successfully obtain the band gaps from the first to the tenth band for both transverse magnetic and electric polarizations. Some optimized photonic crystals exhibit novel patterns markedly different from traditional designs of photonic crystals.

  17. Band structure engineered layered metals for low-loss plasmonics

    DEFF Research Database (Denmark)

    Gjerding, Morten Niklas; Pandey, Mohnish; Thygesen, Kristian Sommer

    2017-01-01

    dichalcogenide TaS2, due to an extraordinarily small density of states for scattering in the near-IR originating from their special electronic band structure. On the basis of this observation, we propose a new class of band structure engineered van der Waals layered metals composed of hexagonal transition metal...

  18. Determination of conduction and valence band electronic structure ...

    Indian Academy of Sciences (India)

    Abstract. Electronic structures of rutile and anatase polymorph of TiO2 were determined by resonant inelas- tic X-ray scattering measurements and FEFF9.0 calculations. Difference between crystalline structures led to shifts in the rutile Ti d-band to lower energy with respect to anatase, i.e., decrease in band gap. Anatase ...

  19. Band warping, band non-parabolicity, and Dirac points in electronic and lattice structures

    Science.gov (United States)

    Resca, Lorenzo; Mecholsky, Nicholas A.; Pegg, Ian L.

    2017-10-01

    We illustrate at a fundamental level the physical and mathematical origins of band warping and band non-parabolicity in electronic and vibrational structures. We point out a robust presence of pairs of topologically induced Dirac points in a primitive-rectangular lattice using a p-type tight-binding approximation. We analyze two-dimensional primitive-rectangular and square Bravais lattices with implications that are expected to generalize to more complex structures. Band warping is shown to arise at the onset of a singular transition to a crystal lattice with a larger symmetry group, which allows the possibility of irreducible representations of higher dimensions, hence band degeneracy, at special symmetry points in reciprocal space. Band warping is incompatible with a multi-dimensional Taylor series expansion, whereas band non-parabolicities are associated with multi-dimensional Taylor series expansions to all orders. Still band non-parabolicities may merge into band warping at the onset of a larger symmetry group. Remarkably, while still maintaining a clear connection with that merging, band non-parabolicities may produce pairs of conical intersections at relatively low-symmetry points. Apparently, such conical intersections are robustly maintained by global topology requirements, rather than any local symmetry protection. For two p-type tight-binding bands, we find such pairs of conical intersections drifting along the edges of restricted Brillouin zones of primitive-rectangular Bravais lattices as lattice constants vary relatively to each other, until these conical intersections merge into degenerate warped bands at high-symmetry points at the onset of a square lattice. The conical intersections that we found appear to have similar topological characteristics as Dirac points extensively studied in graphene and other topological insulators, even though our conical intersections have none of the symmetry complexity and protection afforded by the latter more

  20. Band structures in Sierpinski triangle fractal porous phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Kai; Liu, Ying, E-mail: yliu5@bjtu.edu.cn; Liang, Tianshu

    2016-10-01

    In this paper, the band structures in Sierpinski triangle fractal porous phononic crystals (FPPCs) are studied with the aim to clarify the effect of fractal hierarchy on the band structures. Firstly, one kind of FPPCs based on Sierpinski triangle routine is proposed. Then the influence of the porosity on the elastic wave dispersion in Sierpinski triangle FPPCs is investigated. The sensitivity of the band structures to the fractal hierarchy is discussed in detail. The results show that the increase of the hierarchy increases the sensitivity of ABG (Absolute band gap) central frequency to the porosity. But further increase of the fractal hierarchy weakens this sensitivity. On the same hierarchy, wider ABGs could be opened in Sierpinski equilateral triangle FPPC; whilst, a lower ABG could be opened at lower porosity in Sierpinski right-angled isosceles FPPCs. These results will provide a meaningful guidance in tuning band structures in porous phononic crystals by fractal design.

  1. 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.

  2. Shell model description of band structure in 48Cr

    International Nuclear Information System (INIS)

    Vargas, Carlos E.; Velazquez, Victor M.

    2007-01-01

    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

  3. Band connectivity for topological quantum chemistry: Band structures as a graph theory problem

    Science.gov (United States)

    Bradlyn, Barry; Elcoro, L.; Vergniory, M. G.; Cano, Jennifer; Wang, Zhijun; Felser, C.; Aroyo, M. I.; Bernevig, B. Andrei

    2018-01-01

    The conventional theory of solids is well suited to describing band structures locally near isolated points in momentum space, but struggles to capture the full, global picture necessary for understanding topological phenomena. In part of a recent paper [B. Bradlyn et al., Nature (London) 547, 298 (2017), 10.1038/nature23268], we have introduced the way to overcome this difficulty by formulating the problem of sewing together many disconnected local k .p band structures across the Brillouin zone in terms of graph theory. In this paper, we give the details of our full theoretical construction. We show that crystal symmetries strongly constrain the allowed connectivities of energy bands, and we employ graph theoretic techniques such as graph connectivity to enumerate all the solutions to these constraints. The tools of graph theory allow us to identify disconnected groups of bands in these solutions, and so identify topologically distinct insulating phases.

  4. Transport in bilayer and trilayer graphene: band gap engineering and band structure tuning

    Science.gov (United States)

    Zhu, Jun

    2014-03-01

    Controlling the stacking order of atomically thin 2D materials offers a powerful tool to control their properties. Linearly dispersed bands become hyperbolic in Bernal (AB) stacked bilayer graphene (BLG). Both Bernal (ABA) and rhombohedral (ABC) stacking occur in trilayer graphene (TLG), producing distinct band structures and electronic properties. A symmetry-breaking electric field perpendicular to the sample plane can further modify the band structures of BLG and TLG. In this talk, I will describe our experimental effort in these directions using dual-gated devices. Using thin HfO2 film deposited by ALD as gate dielectric, we are able to apply large displacement fields D > 6 V/nm and observe the opening and saturation of the field-induced band gap Eg in bilayer and ABC-stacked trilayer graphene, where the conduction in the mid gap changes by more than six decades. Its field and temperature dependence highlights the crucial role played by Coulomb disorder in facilitating hopping conduction and suppressing the effect of Eg in the tens of meV regime. In contrast, mid-gap conduction decreases with increasing D much more rapidly in clean h-BN dual-gated devices. Our studies also show the evolution of the band structure in ABA-stacked TLG, in particular the splitting of the Dirac-like bands in large D field and the signatures of two-band transport at high carrier densities. Comparison to theory reveals the need for more sophisticated treatment of electronic screening beyond self-consistent Hartree calculations to accurately predict the band structures of trilayer graphene and graphenic materials in general.

  5. Band structure peculiarities of magnetic photonic crystals

    Science.gov (United States)

    Gevorgyan, A. H.; Golik, S. S.

    2017-10-01

    In this work we studied light diffraction in magneto-photonic crystals (MPC) having large magneto-optical activity and modulation large depth. The case of arbitrary angles between the direction of the external static magnetic field and the normal to the border of the MPC layer is considered. The problem is solved by Ambartsumian's modified layer addition method. It is found that there is a new type of non-reciprocity, namely, the relation R (α) ≠ R (- α) takes place, where R is the reflection coefficient, and α is the incidence angle. It is shown the formation of new photonic band gap (PBG) at oblique incidence of light, which is not selective for the polarization of the incident light, in the case when the external magnetic field is directed along the medium axis. Such a system can be used as: a tunable polarization filter, polarization mirror, circular (elliptical) polarizer, tunable optical diode, etc.

  6. Two-dimensional microwave band-gap structures of different ...

    Indian Academy of Sciences (India)

    - stant and/or magnetic permeability (or in particular impedance) are periodic and the propagation of electromagnetic waves is forbidden at certain frequencies when allowed to pass through these structures. This is similar to the electronic band.

  7. Unoccupied surface electronic structure of Gd(0001)

    International Nuclear Information System (INIS)

    Li, D.; Dowben, P.A.; Ortega, J.E.; Himpsel, F.J.

    1994-01-01

    The unoccupied surface electronic structure of Gd(0001) was investigated with high-resolution inverse-photoemission spectroscopy. An empty surface state near E F is observed at bar Γ. Two other surface-sensitive features are also revealed at 1.2 and 3.1 eV above the Fermi level. Hydrogen adsorption on Gd surfaces was used to distinguish the surface-sensitive features from the bulk features. The unoccupied bulk-band critical points are determined to be Γ 3 + at 1.9 eV and A 1 at 0.8 eV

  8. Phonon band structures of the three dimensional latticed pentamode metamaterials

    Directory of Open Access Journals (Sweden)

    Guan Wang

    2017-02-01

    Full Text Available The artificially designed three-dimensional (3D pentamode metamaterials have such an extraordinary characteristic that the solid materials behave like liquids. Meanwhile, the ideal structure of the pentamode metamaterials arranges in the same way as that of the diamond crystals. In the present research, we regard three types of pentamode metamaterials derived from the 3D crystal lattices as research objects. The phonon band structures of the candidate pentamode structures are calculated by using the finite element method (FEM. We illustrate the relation between the ratio of the bulk modulus B and the shear modulus G of different combinations of D and d. Finally, we find out the relationship between the phonon band structure and the structure parameters. It is useful for generating the phonon band structure and controlling elastic wave propagation.

  9. Structural mechanisms of formation of adiabatic shear bands

    Directory of Open Access Journals (Sweden)

    Mikhail Sokovikov

    2016-10-01

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

  10. Surface roughness of orthodontic band cements with different compositions

    Directory of Open Access Journals (Sweden)

    Françoise Hélène van de Sande

    2011-06-01

    Full Text Available OBJECTIVES: The present study evaluated comparatively the surface roughness of four orthodontic band cements after storage in various solutions. MATERIAL AND METHODS: Eight standardized cylinders were made from 4 materials: zinc phosphate cement (ZP, compomer (C, resin-modified glass ionomer cement (RMGIC and resin cement (RC. Specimens were stored for 24 h in deionized water and immersed in saline (pH 7.0 or 0.1 M lactic acid solution (pH 4.0 for 15 days. Surface roughness readings were taken with a profilometer (Surfcorder SE1200 before and after the storage period. Data were analyzed by two-way ANOVA and Tukey's test (comparison among cements and storage solutions or paired t-test (comparison before and after the storage period at 5% significance level. RESULTS: The values for average surface roughness were statistically different (pRMGIC>C>R (p0.05. Compared to the current threshold (0.2 µm related to biofilm accumulation, both RC and C remained below the threshold, even after acidic challenge by immersion in lactic acid solution. CONCLUSIONS: Storage time and immersion in lactic acid solution increased the surface roughness of the majority of the tested cements. RC presented the smoothest surface and it was not influenced by storage conditions.

  11. 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.

  12. Topological classification of crystalline insulators through band structure combinatorics

    NARCIS (Netherlands)

    Kruthoff, J.; de Boer, J.; van Wezel, J.; Kane, C.L.; Slager, R.J.

    2017-01-01

    We present a method for efficiently enumerating all allowed, topologically distinct, electronic band structures within a given crystal structure in all physically relevant dimensions. The algorithm applies to crystals without time-reversal, particle-hole, chiral, or any other anticommuting or

  13. Two-dimensional microwave band-gap structures of different ...

    Indian Academy of Sciences (India)

    Abstract. 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 se- lected geometries are square and triangular and the materials chosen ...

  14. Discrete impurity band from surface danging bonds in nitrogen and phosphorus doped SiC nanowires

    Science.gov (United States)

    Li, Yan-Jing; Li, Shu-Long; Gong, Pei; Li, Ya-Lin; Cao, Mao-Sheng; Fang, Xiao-Yong

    2018-04-01

    The electronic structure and optical properties of the nitrogen and phosphorus doped silicon carbide nanowires (SiCNWs) are investigated using first-principle calculations based on density functional theory. The results show doping can change the type of the band gap and improve the conductivity. However, the doped SiCNWs form a discrete impurity levels at the Fermi energy, and the dispersion degree decreases with the diameter increasing. In order to reveal the root of this phenomenon, we hydrogenated the doped SiCNWs, found that the surface dangling bonds were saturated, and the discrete impurity levels are degeneracy, which indicates that the discrete impurity band of the doped SiCNWs is derived from the dangling bonds. The surface passivation can degenerate the impurity levels. Therefore, both doping and surface passivation can better improve the photoelectric properties of the SiCNWs. The result can provide additional candidates in producing nano-optoelectronic devices.

  15. Orbital-angular-momentum based origin of Rashba-type surface band splitting.

    Science.gov (United States)

    Park, Seung Ryong; Kim, Choong H; Yu, Jaejun; Han, Jung Hoon; Kim, Changyoung

    2011-10-07

    We propose that the existence of local orbital angular momentum (OAM) on the surfaces of high-Z materials plays a crucial role in the formation of Rashba-type surface band splitting. Local OAM state in a Bloch wave function produces an asymmetric charge distribution (electric dipole). The surface-normal electric field then aligns the electric dipole and results in chiral OAM states and the relevant Rashba-type splitting. Therefore, the band splitting originates from electric dipole interaction, not from the relativistic Zeeman splitting as proposed in the original Rashba picture. The characteristic spin chiral structure of Rashba states is formed through the spin-orbit coupling and thus is a secondary effect to the chiral OAM. Results from first-principles calculations on a single Bi layer under an external electric field verify the key predictions of the new model.

  16. 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.

  17. Self-consistent, relativistic, ferromagnetic band structure of gadolinium

    International Nuclear Information System (INIS)

    Harmon, B.N.; Schirber, J.; Koelling, D.D.

    1977-01-01

    An initial self-consistent calculation of the ground state magnetic band structure of gadolinium is described. A linearized APW method was used which included all single particle relativistic effects except spin-orbit coupling. The spin polarized potential was obtained in the muffin-tin form using the local spin density approximation for exchange and correlation. The most striking and unorthodox aspect of the results is the position of the 4f spin-down ''bands'' which are required to float just on top of the Fermi level in order to obtain convergence. If the 4f states (l = 3 resonance) are removed from the occupied region of the conduction bands the magnetic moment is approximately .75 μ/sub B//atom; however, as the 4f spin-down states are allowed to find their own position they hybridize with the conduction bands at the Fermi level and the moment becomes smaller. Means of improving the calculation are discussed

  18. 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 al...... 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....

  19. An algebraic approach to scattering and band structure problems

    International Nuclear Information System (INIS)

    Alhassid, Y.

    1984-01-01

    It is shown that both bound and scattering states of a class of potentials are related to the unitary representations of certain groups. For such systems the scattering matrix can be calculated in a completely algebraic way through the use of the Euclidean group to describe asymptotic behaviour. The band structures associated with a family of periodic potentials can also be obtained from the group theory. These results suggest that an algebraic approach to scattering and band structure problems similar to that applied to bound states is possible

  20. Optimum design of band-gap beam structures

    DEFF Research Database (Denmark)

    Olhoff, Niels; Niu, Bin; Cheng, Gengdong

    2012-01-01

    in the present paper that such an a priori assumption is not necessary since, in general, just the maximization of the gap between two consecutive natural frequencies leads to significant design periodicity. The aim of this paper is to maximize frequency gaps by shape optimization of transversely vibrating......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...

  1. Band structure analysis in SiGe nanowires

    International Nuclear Information System (INIS)

    Amato, Michele; Palummo, Maurizia; Ossicini, Stefano

    2012-01-01

    One of the main challenges for Silicon-Germanium nanowires (SiGe NWs) electronics is the possibility to modulate and engine their electronic properties in an easy way, in order to obtain a material with the desired electronic features. Diameter and composition constitute two crucial ways for the modification of the band gap and of the band structure of SiGe NWs. Within the framework of density functional theory we present results of ab initio calculations regarding the band structure dependence of SiGe NWs on diameter and composition. We point out the main differences with respect to the case of pure Si and Ge wires and we discuss the particular features of SiGe NWs that are useful for future technological applications.

  2. Band structure analysis in SiGe nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Amato, Michele [' Centro S3' , CNR-Istituto Nanoscienze, via Campi 213/A, 41100 Modena (Italy); Dipartimento di Scienze e Metodi dell' Ingegneria, Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy); Palummo, Maurizia [European Theoretical Spectroscopy Facility (ETSF) (Italy); CNR-INFM-SMC, Dipartimento di Fisica, Universita di Roma, ' Tor Vergata' , via della Ricerca Scientifica 1, 00133 Roma (Italy); Ossicini, Stefano, E-mail: stefano.ossicini@unimore.it [' Centro S3' , CNR-Istituto Nanoscienze, via Campi 213/A, 41100 Modena (Italy) and Dipartimento di Scienze e Metodi dell' Ingegneria, Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy) and European Theoretical Spectroscopy Facility - ETSF (Italy) and Centro Interdipartimentale ' En and Tech' , Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy)

    2012-06-05

    One of the main challenges for Silicon-Germanium nanowires (SiGe NWs) electronics is the possibility to modulate and engine their electronic properties in an easy way, in order to obtain a material with the desired electronic features. Diameter and composition constitute two crucial ways for the modification of the band gap and of the band structure of SiGe NWs. Within the framework of density functional theory we present results of ab initio calculations regarding the band structure dependence of SiGe NWs on diameter and composition. We point out the main differences with respect to the case of pure Si and Ge wires and we discuss the particular features of SiGe NWs that are useful for future technological applications.

  3. First Principles Study of Band Structure and Band Gap Engineering in Graphene for Device Applications

    Science.gov (United States)

    2015-03-20

    vacancy and added impurities in them are investigated using 96 atom slab of graphene . The relaxed structures and charge distribution plots of graphene 24... graphene gets reconstructed. In order to further improve the band gap opening in the graphene we introduced impurity atoms in the vacancies and...distorted Dirac cones at the Fermi point can be a check mark for presence of equal concentration of p-type and n-type impurities in graphene . The

  4. Direct Measurement of the Band Structure of a Buried Two-Dimensional Electron Gas

    DEFF Research Database (Denmark)

    Miwa, Jill; Hofmann, Philip; Simmons, Michelle Y.

    2013-01-01

    We directly measure the band structure of a buried two dimensional electron gas (2DEG) using angle resolved photoemission spectroscopy. The buried 2DEG forms 2 nm beneath the surface of p-type silicon, because of a dense delta-type layer of phosphorus n-type dopants which have been placed there...

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

    International Nuclear Information System (INIS)

    Al'perovich, G.I.; Gusatinskij, A.N.; Geguzin, I.I.; Blokhin, M.A.; Torbov, V.I.; Chukalin, V.I.; AN SSSR, Moscow. Inst. Novykh Khimicheskikh Problem)

    1977-01-01

    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

  6. 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 lowe...

  7. 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.

  8. 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......-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...

  9. Dose banding as an alternative to body surface area-based dosing of chemotherapeutic agents

    NARCIS (Netherlands)

    E. Chatelut (Etienne); M.L. White-Koning (M.); A.H.J. Mathijssen (Ron); F. Puisset (F.); S.D. Baker (Sharyn); A. Sparreboom (Alex)

    2012-01-01

    textabstractBackground: Dose banding is a recently suggested dosing method that uses predefined ranges (bands) of body surface area (BSA) to calculate each patients dose by using a single BSA-value per band. Thus, drugs with sufficient long-term stability can be prepared in advance. The main

  10. Band structure, band offsets, substitutional doping, and Schottky barriers of bulk and monolayer InSe

    Science.gov (United States)

    Guo, Yuzheng; Robertson, John

    2017-09-01

    We present a detailed study of the electronic structure of the layered semiconductor InSe. We calculate the band structure of the monolayer and bulk material using density functional theory, hybrid functionals, and G W . The band gap of the monolayer InSe is calculated to be 2.4 eV in screened exchange hybrid functional, close to the experimental photoluminescence gap. The electron affinities and band offsets are calculated for vertical stacked-layer heterostructures, and are found to be suitable for tunnel field effect transistors (TFETs) in combination with WS e2 or similar. The valence-band edge of InSe is calculated to lie 5.2 eV below the vacuum level, similar to that for the closed shell systems HfS e2 or SnS e2 . Hence InSe would be suitable to act as a p -type drain in the TFET. The intrinsic defects are calculated. For Se-rich layers, the Se adatom (interstitial) is found to be the most stable defect, whereas for In-rich layers, the Se vacancy is the most stable for the neutral state. Antisites tend to have energies just above those of vacancies. The Se antisite distorts towards a bond-breaking distortion as in the EL2 center of GaAs. Both substitutional donors and acceptors are calculated to be shallow, and effective dopants. They do not reconstruct to form nondoping configurations as occurs in black phosphorus. Finally, the Schottky barriers of metals on InSe are found to be strongly pinned by metal induced gap states (MIGS) at ˜0.5 eV above the valence-band edge. Any interfacial defects would lead to a stronger pinning at a similar energy. Overall, InSe is an effective semiconductor combining the good features of 2D (lack of dangling bonds, etc.) with the good features of 3D (effective doping), which few others achieve.

  11. Band structure engineered layered metals for low-loss plasmonics

    Science.gov (United States)

    Gjerding, Morten N.; Pandey, Mohnish; Thygesen, Kristian S.

    2017-04-01

    Plasmonics currently faces the problem of seemingly inevitable optical losses occurring in the metallic components that challenges the implementation of essentially any application. In this work, we show that Ohmic losses are reduced in certain layered metals, such as the transition metal dichalcogenide TaS2, due to an extraordinarily small density of states for scattering in the near-IR originating from their special electronic band structure. On the basis of this observation, we propose a new class of band structure engineered van der Waals layered metals composed of hexagonal transition metal chalcogenide-halide layers with greatly suppressed intrinsic losses. Using first-principles calculations, we show that the suppression of optical losses lead to improved performance for thin-film waveguiding and transformation optics.

  12. The surface electronic structure of Y(0001)

    International Nuclear Information System (INIS)

    Searle, C.

    1998-12-01

    Yttrium has been grown epitaxially on W(110). The growth was monitored by using photoemission spectroscopy with a synchrotron radiation source. The film thickness has been gauged by the attenuation of the W 4f 7/2 bulk component. The films have been grown reproducibly and show a prominent surface state which is indicative of good order and low contamination. Angle-Resolved Ultra-Violet Photoemission Spectroscopy has been used to examine the valence band of these ultra-thin films. The films show a very different structure to the valence band of a bulk crystal of yttrium. The differences have been investigated by a series of model calculations using the LMASA-46 tight-binding LMTO program. The calculations suggest that the ultra-thin film surface state may be hybridised with a tungsten orbital having (x 2 - y 2 ) character. (author)

  13. High-spin structure of yrast-band in Kr

    Indian Academy of Sciences (India)

    pp. 185–189. High-spin structure of yrast-band in. 78. Kr. P K JOSHI, R PALIT, H C JAIN, S NAGARAJ and J A SHEIKH. Tata Institute of Fundamental Research, Mumbai 400 005, India. Abstract. Lifetime of levels up to 22. ·. , have been measured in Kr and an oblate shape is assigned to the ground state using the CSM and ...

  14. Importance of complex band structure and resonant states for tunneling

    Czech Academy of Sciences Publication Activity Database

    Dederichs, P. H.; Mavropoulos, Ph.; Wunnicke, O.; Papanikolaou, N.; Bellini, V.; Zeller, R.; Drchal, Václav; Kudrnovský, Josef

    2002-01-01

    Roč. 240, - (2002), s. 108-113 ISSN 0304-8853 R&D Projects: GA AV ČR IAA1010829; GA ČR GA202/00/0122; GA MŠk OC P5.30 Grant - others:TSR(XX) 01398 Institutional research plan: CEZ:AV0Z1010914 Keywords : magnetoresistance * tunneling * band structure * interface effects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.046, year: 2002

  15. Experimental verification of directional liquid surface wave emission at band edge frequencies

    International Nuclear Information System (INIS)

    Wang, Zhenyu; Zhang, Pei; Zhang, Yongqiang; Nie, Xiaofei

    2013-01-01

    Directional liquid surface wave emission at band edge frequencies is an interesting physical phenomenon and has already been studied in theoretical research. There has been no experimental validation of it to date, however. This paper has as its subject the experimental investigation of the emission effect when a point source is placed inside a finite square array of rigid cylinders standing vertically in liquid. Both the wave patterns and spatial intensities are obtained by experiment and compared with simulated results calculated by using the finite element method. We can see from this comparison that the two results correspond closely both at lower and upper band edge frequency. Obvious directional wave emission along a desired direction is observed in the source structures, confirming previous theoretical predictions. In the future, this method could serve as a directional liquid wave source in applications used in hydraulic and ocean engineering for the concentration of wave energy

  16. ARPES on Na0.6CoO2: Fermi surface and unusual band dispersion.

    Science.gov (United States)

    Yang, H-B; Wang, S-C; Sekharan, A K P; Matsui, H; Souma, S; Sato, T; Takahashi, T; Takeuchi, T; Campuzano, J C; Jin, R; Sales, B C; Mandrus, D; Wang, Z; Ding, H

    2004-06-18

    The electronic structure of single crystals Na0.6CoO2, which are closely related to the superconducting Na0.3CoO2.yH(2)O (T(c) approximately 5 K), is studied by angle-resolved photoelectron spectroscopy. While the measured Fermi surface (FS) is consistent with the large FS enclosing the Gamma point from the band theory, the predicted small FS pockets near the K points are absent. In addition, the band dispersion is found to be highly renormalized, and anisotropic along the two principal axes (Gamma-K, Gamma-M). Our measurements also indicate that an extended flatband is formed slightly above E(F) along Gamma-K.

  17. Band structure and unconventional electronic topology of CoSi

    Science.gov (United States)

    Pshenay-Severin, D. A.; Ivanov, Y. V.; Burkov, A. A.; Burkov, A. T.

    2018-04-01

    Semimetals with certain crystal symmetries may possess unusual electronic structure topology, distinct from that of the conventional Weyl and Dirac semimetals. Characteristic property of these materials is the existence of band-touching points with multiple (higher than two-fold) degeneracy and nonzero Chern number. CoSi is a representative of this group of materials exhibiting the so-called ‘new fermions’. We report on an ab initio calculation of the electronic structure of CoSi using density functional methods, taking into account the spin–orbit interactions. The linearized \

  18. Band gaps in grid structure with periodic local resonator subsystems

    Science.gov (United States)

    Zhou, Xiaoqin; Wang, Jun; Wang, Rongqi; Lin, Jieqiong

    2017-09-01

    The grid structure is widely used in architectural and mechanical field for its high strength and saving material. This paper will present a study on an acoustic metamaterial beam (AMB) based on the normal square grid structure with local resonators owning both flexible band gaps and high static stiffness, which have high application potential in vibration control. Firstly, the AMB with variable cross-section frame is analytically modeled by the beam-spring-mass model that is provided by using the extended Hamilton’s principle and Bloch’s theorem. The above model is used for computing the dispersion relation of the designed AMB in terms of the design parameters, and the influences of relevant parameters on band gaps are discussed. Then a two-dimensional finite element model of the AMB is built and analyzed in COMSOL Multiphysics, both the dispersion properties of unit cell and the wave attenuation in a finite AMB have fine agreement with the derived model. The effects of design parameters of the two-dimensional model in band gaps are further examined, and the obtained results can well verify the analytical model. Finally, the wave attenuation performances in three-dimensional AMBs with equal and unequal thickness are presented and discussed.

  19. First direct observation of a nearly ideal graphene band structure

    Energy Technology Data Exchange (ETDEWEB)

    Sprinkle, M.; Siegel, D.; Hu, Y.; Hicks, J.; Tejeda, A.; Taleb-Ibrahimi, A.; Le Fèvre, P.; Bertran, F.; Vizzini, S.; Enriquez, H.; Chiang, S.; Soukiassian, P.; Berger, C.; de Heer, W.A.; Lanzara, A.; Conrad, E.H.; (CNRS-UMR); (UCB); (CEAS); (SOLEIL); (GIT)

    2009-12-10

    Angle-resolved photoemission and x-ray diffraction experiments show that multilayer epitaxial graphene grown on the SiC(000{bar 1}) surface is a new form of carbon that is composed of effectively isolated graphene sheets. The unique rotational stacking of these films causes adjacent graphene layers to electronically decouple leading to a set of nearly independent linearly dispersing bands (Dirac cones) at the graphene K point. Each cone corresponds to an individual macroscale graphene sheet in a multilayer stack where AB-stacked sheets can be considered as low density faults.

  20. First direct observation of a nearly ideal graphene band structure.

    Science.gov (United States)

    Sprinkle, M; Siegel, D; Hu, Y; Hicks, J; Tejeda, A; Taleb-Ibrahimi, A; Le Fèvre, P; Bertran, F; Vizzini, S; Enriquez, H; Chiang, S; Soukiassian, P; Berger, C; de Heer, W A; Lanzara, A; Conrad, E H

    2009-11-27

    Angle-resolved photoemission and x-ray diffraction experiments show that multilayer epitaxial graphene grown on the SiC(0001) surface is a new form of carbon that is composed of effectively isolated graphene sheets. The unique rotational stacking of these films causes adjacent graphene layers to electronically decouple leading to a set of nearly independent linearly dispersing bands (Dirac cones) at the graphene K point. Each cone corresponds to an individual macroscale graphene sheet in a multilayer stack where AB-stacked sheets can be considered as low density faults.

  1. Surface roughness from highlight structure

    NARCIS (Netherlands)

    Lu, Rong; Koenderink, Jan J.; Kappers, Astrid M L

    1999-01-01

    Highlights are due to specular reflection and cause the lustrous or mirrorlike appearance of many material surfaces. We investigated in detail the structure of highlight patterns that are due to material surface roughness. We interpret results in terms of a simple model of a random Gaussian surface.

  2. Crossing points in the electronic band structure of vanadium oxide

    Directory of Open Access Journals (Sweden)

    Keshav N. Shrivastava

    2010-03-01

    Full Text Available The electronic band structures of several models of vanadium oxide are calculated. In the models 1-3, every vanadium atom is connected to 4 oxygen atoms and every oxygen atom is connected to 4 vanadium atoms. In model 1, a=b=c 2.3574 Å; in model 2, a= 4.7148 Å, b= 2.3574 Å and c= 2.3574 Å; and in model 3, a= 4.7148 Å, b= 2.3574 Å and c= 4.7148 Å. In the models 4-6, every vanadium atom is connected to 4 oxygen atoms and every oxygen atom is connected to 2 vanadium atoms. In model 4, a=b= 4.551 Å and c= 2.851 Å; in model 5, a=b=c= 3.468 Å; and in model 6, a=b=c= 3.171 Å. We have searched for a crossing point in the band structure of all the models. In model 1 there is a point at which five bands appear to meet but the gap is 7.3 meV. In model 2 there is a crossing point between G and F points and there is a point between F and Q with the gap ≈ 3.6608 meV. In model 3, the gap is very small, ~ 10-5 eV. In model 4, the gap is 5.25 meV. In model 5, the gap between Z and G points is 2.035 meV, and in model 6 the gap at Z point is 4.3175 meV. The crossing point in model 2 looks like one line is bent so that the supersymmetry is broken. When pseudopotentials are replaced by a full band calculation, the crossing point changes into a gap of 2.72 x 10-4 eV.

  3. Bioinspired structured surfaces.

    Science.gov (United States)

    Bhushan, Bharat

    2012-01-24

    Nature has evolved objects with desired functionality using commonly found materials. Nature capitalizes on hierarchical structures to achieve functionality. The understanding of the functions provided by objects and processes found in nature can guide us to produce nanomaterials, nanodevices, and processes with desirable functionality. Various natural objects which provide functionality of commercial interest have been characterized to understand how a natural object provides functionality. We have modeled and fabricated structures in the lab using nature's route and developed optimum structures. Once it is understood how nature does it, optimum structures have been fabricated using smart materials and fabrication techniques. This feature article provides an overview of four topics: Lotus effect, rose petal effect, gecko feet, and shark skin.

  4. Optical processes in different types of photonic band gap structures

    Science.gov (United States)

    Wang, Zhiguo; Gao, Mengqin; Ullah, Zakir; Chen, Haixia; Zhang, Dan; Zhang, Yiqi; Zhang, Yanpeng

    2015-06-01

    For the first time, we investigate the photonic band gap (PBG) structure in the static and moving electromagnetically induced grating (EIG) through scanning the frequency detunings of the probe field, dressing field and coupling field. Especially, the suppression and enhancement of the four wave mixing band gap signal (FWM BGS) and the probe transmission signal (PTS) can be observed when we scan the dressing field frequency detuning in the FWM BGS system. It is worth noting that the PBG structure and FWM BGS appear at the right of the electromagnetically induced transparency (EIT) position in the case of scanning the frequency detuning of the coupling field in the FWM BGS system, while the PBG structure and FWM BGS appears at the left of the EIT position on the condition of scanning the probe field frequency detuning. Moreover, in the moving PBG structure, we can obtain the nonreciprocity of FWM BGS. Furthermore, we can modulate the intensity, width, location of the FWM BGS and PTS through changing the frequency detunings and intensities of the probe field, dressing field and coupling field, sample length and the frequency difference of coupling fields in EIG. Such scheme could have potential applications in optical diodes, amplifiers and quantum information processing.

  5. A Compact UWB Band-Pass Filter Using Embedded Circular Slot Structures for Improved Upper Stop-band Performance

    DEFF Research Database (Denmark)

    Shen, Ming; Ren, Jian; Mikkelsen, Jan Hvolgaard

    2016-01-01

    This paper presents an ultra-wideband band-pass filter designed using a slot-line ring resonator and two pairs of embedded circular slot structures. The slot-line ring resonator is used to form the desired UWB passband, and the upper stop-band response is suppressed by embedding the circular slot...

  6. High power breakdown testing of a photonic band-gap accelerator structure with elliptical rods

    Directory of Open Access Journals (Sweden)

    Brian J. Munroe

    2013-01-01

    Full Text Available An improved single-cell photonic band-gap (PBG structure with an inner row of elliptical rods (PBG-E was tested with high power at a 60 Hz repetition rate at X-band (11.424 GHz, achieving a gradient of 128  MV/m at a breakdown probability of 3.6×10^{-3} per pulse per meter at a pulse length of 150 ns. The tested standing-wave structure was a single high-gradient cell with an inner row of elliptical rods and an outer row of round rods; the elliptical rods reduce the peak surface magnetic field by 20% and reduce the temperature rise of the rods during the pulse by several tens of degrees, while maintaining good damping and suppression of high order modes. When compared with a single-cell standing-wave undamped disk-loaded waveguide structure with the same iris geometry under test at the same conditions, the PBG-E structure yielded the same breakdown rate within measurement error. The PBG-E structure showed a greatly reduced breakdown rate compared with earlier tests of a PBG structure with round rods, presumably due to the reduced magnetic fields at the elliptical rods vs the fields at the round rods, as well as use of an improved testing methodology. A post-testing autopsy of the PBG-E structure showed some damage on the surfaces exposed to the highest surface magnetic and electric fields. Despite these changes in surface appearance, no significant change in the breakdown rate was observed in testing. These results demonstrate that PBG structures, when designed with reduced surface magnetic fields and operated to avoid extremely high pulsed heating, can operate at breakdown probabilities comparable to undamped disk-loaded waveguide structures and are thus viable for high-gradient accelerator applications.

  7. Band structure engineering for ultracold quantum gases in optical lattices

    International Nuclear Information System (INIS)

    Weinberg, Malte

    2014-01-01

    The energy band structure fundamentally influences the physical properties of a periodic system. It may give rise to highly exotic phenomena in yet uncharted physical regimes. Ultracold quantum gases in optical lattices provide an ideal playground for the investigation of a large variety of such intriguing effects. Experiments presented here address several issues that require the systematic manipulation of energy band structures in optical lattices with diverse geometries. These artificial crystals of light, generated by interfering laser beams, allow for an unprecedented degree of control over a wide range of parameters. A major part of this thesis employs time-periodic driving to engineer tunneling matrix elements and, thus, the dispersion relation for bosonic quantum gases in optical lattices. Resonances emerging in the excitation spectrum due to the particularly strong forcing can be attributed to multi-photon transitions that are investigated systematically. By changing the sign of the tunneling, antiferromagnetic spin-spin interactions can be emulated. In a triangular lattice this leads to geometrical frustration with a doubly degenerate ground state as the simultaneous minimization of competing interactions is inhibited. Moreover, complex-valued tunneling matrix elements can be generated with a suitable breaking of time-reversal symmetry in the driving scheme. The associated Peierls phases mimic the presence of an electromagnetic vector gauge potential acting on charged particles. First proof-of-principle experiments reveal an excellent agreement with theoretical calculations. In the weakly interacting superfluid regime, these artificial gauge fields give rise to an Ising-XY model with tunable staggered magnetic fluxes and a complex interplay between discrete and continuous symmetries. A thermal phase transition from an ordered ferromagnetic- to an unordered paramagnetic state could be observed. In the opposite hard-core boson limit of strong interactions

  8. Band structure in Platinum nuclei (A ∼ 182)

    International Nuclear Information System (INIS)

    Popescu, D.G.

    1991-01-01

    In this thesis, the author studies the band structure in Platinum nuclei and has divided his work in 5 parts: in the first, the author makes a general presentation of nucleus physics with a high angular momentum and introduces to the deformed nucleus notion -axial, triaxial or mixing of different deformations. The notion of form co-existence will be used to interpret the experimental results. In the second part, the author describes the detection means which have been used to make measurements. An abstract of theoretical notions, usefull for the understanding of fusion-evaporation reaction is presented. The author explains the details, performances and different modes of using of 'Chateau de cristal' and others used spectrometers. In the third part, the author presents all experimental data. He has effected γ coincidence measurements for Pt, Au and Ir nuclei. In the fourth part, for a classical analysis or an interpretation in the frame of cranking model the author presents theoretical models which are adapted at the study of high spin states and band structures

  9. 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 solving the Maxwell's equations numerically. It expands the temporal derivatives using the finite differences, while it adopts the Fourier transform (FT) properties to expand the spatial derivatives in Maxwell's equations. In addition, the method makes use of the chain-rule property in calculus together...... with the transformed space technique in order to make the algorithm flexible in terms of non-uniform spatial sampling. Findings - Through the studies of the wave propagation characteristics on PBG structures in stratified medium, it has been found that the proposed method retains excellent accuracy in the occasions...

  10. Crystal structure, electrical properties and electronic band structure of tantalum ditelluride

    CERN Document Server

    Vernes, A; Bensch, W; Heid, W; Naether, C

    1998-01-01

    Motivated by the unexpectedly strong influence of the Te atoms on the structural and bonding properties of the transition metal tellurides, we have performed a detailed study of TaTe sub 2. Experimentally, this comprises a crystal structure determination as well as electrical resistivity measurements. The former analysis leads to an accurate update of the structural data reported in the 1960s, while the latter provides evidence for the mainly electronic character of scattering processes leading to the electrical conductivity. In addition, the electronic properties of TaTe sub 2 have been calculated using the TB-LMTO method. The partial density of states reflects the close connection of the Ta zigzag chains and the Te-Te network. This finding explains the charge transfer in the system in a rather simple way. The orthogonal-orbital character of the bands proved the existence of pi-bonds. The Fermi-surface study supports the interpretation of the experimental resistivity measurements. (author)

  11. [Terahertz-band study on surface enhanced Raman scattering of nanoparticle].

    Science.gov (United States)

    Wu, Yu-Deng; Ren, Guang-Jun; Hao, Yun; Yao, Jian-Quan

    2013-05-01

    Study on surface-enhanced Raman scattering in the terahertz-band proved in that the terahertz-band Raman enhancement also exists. By studing principles of electromagnetic enhancement of surface-enhanced Raman scattering, using the finite difference time-domain method, the electromagnetic enhancement of surface enhanced Raman scattering of nano-particles irradiated by terahertz-wave was simulated, and the enhancement effect of terahertz waves was analyzed. Simulation experiments show that using finite-difference time-domain method could obtain effectively accurate simulation result of nano-particle scattering, proving that for terahertz waves, surface-enhanced effects on the surface of the nano-particle also exist. The results for surface enhanced Raman scattering extended from the visible and infrared to terahertz-band, and provide a basis for application of the combination of surface-enhanced Raman scattering and terahertz-wave.

  12. Band structure of ABC-trilayer graphene superlattice

    International Nuclear Information System (INIS)

    Uddin, Salah; Chan, K. S.

    2014-01-01

    We investigate the effect of one-dimensional periodic potentials on the low energy band structure of ABC trilayer graphene first by assuming that all the three layers have the same potential. Extra Dirac points having the same electron hole crossing energy as that of the original Dirac point are generated by superlattice potentials with equal well and barrier widths. When the potential height is increased, the numbers of extra Dirac points are increased. The dispersions around the Dirac points are not isotropic. It is noted that the dispersion along the k y direction for k x  = 0 oscillates between a non-linear dispersion and a linear dispersion when the potential height is increased. When the well and barrier widths are not identical, the symmetry of the conduction and valence bands is broken. The extra Dirac points are shifted either upward or downward depending on the barrier and well widths from the zero energy, while the position of the central Dirac point oscillates with the superlattice potential height. By considering different potentials for different layers, extra Dirac points are generated not from the original Dirac points but from the valleys formed in the energy spectrum. Two extra Dirac points appear from each pair of touched valleys, so four Dirac points appeared in the spectrum at particular barrier height. By increasing the barrier height of superlattice potential two Dirac points merge into the original Dirac point. This emerging and merging of extra Dirac points is different from the equal potential case

  13. A High-Power Test of an X-Band Molybdenum-Iris Structure

    CERN Document Server

    Wuensch, Walter; Grudiev, A; Heikkinen, Samuli Tapio; Syratchev, I V; Taborelli, M; Wilson, Ian H; Adolphsen, C E

    2004-01-01

    In order to achieve accelerating gradients above 150 MV/m, alternative materials to copper are being investigated by the CLIC study. The potential of refractory metals has already been demonstrated in tests in which a tungsten-iris and a molybdenum-iris structure reached 150 and 193 MV/m respectively (30 GHz and a pulse length of 15 ns). In order to extend the investigation to the pulse lengths required for a linear collider, a molybdenum-iris structure scaled to X-band was tested at the Next Linear Collider Test Accelerator (NLCTA). The structure conditioned to only 65 MV/m (100 ns pulse length) in the available testing time and much more slowly than is typical of a copper structure. However the structure showed no sign of saturation and a microscopic inspection of the rf surfaces corroborated that the structure was still at an early stage of conditioning. The X-band and 30 GHz results are compared and what has been learned about material quality, surface preparation and conditioning strategy is discussed.

  14. V-Band Wireless Surface Networks, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA GLENN RESEARCH CENTER in Topic O1.10 has identified the need to provide surface communications networks for human and robotic missions to explore the Moon and...

  15. Anisotropic electronic band structure of intrinsic Si(110) studied by angle-resolved photoemission spectroscopy and first-principles calculations

    Science.gov (United States)

    Matsushita, Stephane Yu; Takayama, Akari; Kawamoto, Erina; Hu, Chunping; Hagiwara, Satoshi; Watanabe, Kazuyuki; Takahashi, Takashi; Suto, Shozo

    2017-09-01

    We have studied the electronic band structure of the hydrogen-terminated Si(110)-(1 ×1 ) [H:Si(110)-(1 ×1 )] surface using angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations in the framework of density functional theory with local density approximation (LDA). The bulk-truncated H:Si(110)-(1 ×1 ) surface is a good template to investigate the electronic band structure of the intrinsic Si(110). In the ARPES spectra, seven bulk states and one surface state due to the H-H interaction are observed clearly. The four bulk states consisting of Si 3 px y orbitals exhibit anisotropic band dispersions along the high symmetric direction of Γ ¯-X ¯ and Γ ¯-X¯' directions, where one state shows one-dimensional character. The calculated band structures show a good agreement with the experimental results except the surface state. We discuss the exact nature of electronic band structures and the applicability of LDA. We have estimated the anisotropic effective masses of electrons and holes of Si(110) for device application.

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

    Science.gov (United States)

    Deák, Peter

    2018-04-01

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

  17. Band structure and optical properties of diglycine nitrate crystal

    International Nuclear Information System (INIS)

    Andriyevsky, Bohdan; Ciepluch-Trojanek, Wioleta; Romanyuk, Mykola; Patryn, Aleksy; Jaskolski, Marcin

    2005-01-01

    Experimental and theoretical investigations of the electron energy characteristics and optical spectra for diglycine nitrate crystal (DGN) (NH 2 CH 2 COOH) 2 .HNO 3 , in the paraelectric phase (T=295K) are presented. Spectral dispersion of light reflection R(E) have been measured in the range of 3-22eV and the optical functions n(E) and k(E) have been calculated using Kramers-Kronig relations. First principal calculations of the electron energy characteristic and optical spectra of DGN crystal have been performed in the frame of density functional theory using CASTEP code (CAmbridge Serial Total Energy Package). Optical transitions forming the low-energy edge of fundamental absorption are associated with the nitrate groups NO 3 . Peculiarities of the band structure and DOS projected onto glycine and NO 3 groups confirm the molecular character of DGN crystal

  18. Intrinsic properties of high-spin band structures in triaxial nuclei

    Science.gov (United States)

    Jehangir, S.; Bhat, G. H.; Sheikh, J. A.; Palit, R.; Ganai, P. A.

    2017-12-01

    The band structures of 68,70Ge, 128,130,132,134Ce and 132,134,136,138Nd are investigated using the triaxial projected shell model (TPSM) approach. These nuclei depict forking of the ground-state band into several s-bands and in some cases, both the lowest two observed s-bands depict neutron or proton character. It was discussed in our earlier work that this anomalous behaviour can be explained by considering γ-bands based on two-quasiparticle configurations. As the parent band and the γ-band built on it have the same intrinsic structure, g-factors of the two bands are expected to be similar. In the present work, we have undertaken a detailed investigation of g-factors for the excited band structures of the studied nuclei and the available data for a few high-spin states are shown to be in fair agreement with the predicted values.

  19. Domain Structures in Nematic Liquid Crystals on a Polycarbonate Surface

    Directory of Open Access Journals (Sweden)

    Vasily F. Shabanov

    2013-08-01

    Full Text Available Alignment of nematic liquid crystals on polycarbonate films obtained with the use of solvents with different solvations is studied. Domain structures occurring during the growth on the polymer surface against the background of the initial thread-like or schlieren texture are demonstrated. It is established by optical methods that the domains are stable formations visualizing the polymer surface structures. In nematic droplets, the temperature-induced transition from the domain structure with two extinction bands to the structure with four bands is observed. This transition is shown to be caused by reorientation of the nematic director in the liquid crystal volume from the planar alignment to the homeotropic state with the pronounced radial configuration of nematic molecules on the surface. The observed textures are compared with different combinations of the volume LC orientations and the radial distribution of the director field and the disclination lines at the polycarbonate surface.

  20. Structure of negative parity yrast bands in odd mass 125−131Ce ...

    Indian Academy of Sciences (India)

    nated by rotational bands, built on the ground and low-lying excited states. The behaviour of these rotational bands can provide useful information about the un- derlying nuclear structure. The 125Ce nucleus is the lightest even–odd isotope of which the band structures have been published by Paul et al [2]. Excited states.

  1. Mapping surface soil moisture with L-band radiometric measurements

    Science.gov (United States)

    Wang, James R.; Shiue, James C.; Schmugge, Thomas J.; Engman, Edwin T.

    1989-01-01

    A NASA C-130 airborne remote sensing aircraft was used to obtain four-beam pushbroom microwave radiometric measurements over two small Kansas tall-grass prairie region watersheds, during a dry-down period after heavy rainfall in May and June, 1987. While one of the watersheds had been burned 2 months before these measurements, the other had not been burned for over a year. Surface soil-moisture data were collected at the time of the aircraft measurements and correlated with the corresponding radiometric measurements, establishing a relationship for surface soil-moisture mapping. Radiometric sensitivity to soil moisture variation is higher in the burned than in the unburned watershed; surface soil moisture loss is also faster in the burned watershed.

  2. Band Gap Opening Induced by the Structural Periodicity in Epitaxial Graphene Buffer Layer.

    Science.gov (United States)

    N Nair, Maya; Palacio, Irene; Celis, Arlensiú; Zobelli, Alberto; Gloter, Alexandre; Kubsky, Stefan; Turmaud, Jean-Philippe; Conrad, Matthew; Berger, Claire; de Heer, Walter; Conrad, Edward H; Taleb-Ibrahimi, Amina; Tejeda, Antonio

    2017-04-12

    The epitaxial graphene buffer layer on the Si face of hexagonal SiC shows a promising band gap, of which the precise origin remains to be understood. In this work, we correlate the electronic to the atomic structure of the buffer layer by combining angle resolved photoemission spectroscopy (ARPES), scanning tunneling microscopy (STM), and high-resolution scanning transmission electron microscopy (HR-STEM). We show that the band structure in the buffer has an electronic periodicity related to the structural periodicity observed in STM images and published X-ray diffraction. Our HR-STEM measurements show the bonding of the buffer layer to the SiC at specific locations separated by 1.5 nm. This is consistent with the quasi 6 × 6 periodic corrugation observed in the STM images. The distance between buffer C and SiC is 1.9 Å in the bonded regions and up to 2.8 Å in the decoupled regions, corresponding to a 0.9 Å corrugation of the buffer layer. The decoupled regions are sp 2 hybridized. Density functional tight binding (DFTB) calculations demonstrate the presence of a gap at the Dirac point everywhere in the buffer layer, even in the decoupled regions where the buffer layer has an atomic structure close to that of graphene. The surface periodicity also promotes band in the superperiodic Brillouin zone edges as seen by photoemission and confirmed by our calculations.

  3. Method of manufacturing flexible metallic photonic band gap structures, and structures resulting therefrom

    Science.gov (United States)

    Gupta, Sandhya; Tuttle, Gary L.; Sigalas, Mihail; McCalmont, Jonathan S.; Ho, Kai-Ming

    2001-08-14

    A method of manufacturing a flexible metallic photonic band gap structure operable in the infrared region, comprises the steps of spinning on a first layer of dielectric on a GaAs substrate, imidizing this first layer of dielectric, forming a first metal pattern on this first layer of dielectric, spinning on and imidizing a second layer of dielectric, and then removing the GaAs substrate. This method results in a flexible metallic photonic band gap structure operable with various filter characteristics in the infrared region. This method may be used to construct multi-layer flexible metallic photonic band gap structures. Metal grid defects and dielectric separation layer thicknesses are adjusted to control filter parameters.

  4. Complex layered materials and periodic electromagnetic band-gap structures: Concepts, characterizations, and applications

    Science.gov (United States)

    Mosallaei, Hossein

    The main objective of this dissertation is to characterize and create insight into the electromagnetic performances of two classes of composite structures, namely, complex multi-layered media and periodic Electromagnetic Band-Gap (EBG) structures. The advanced and diversified computational techniques are applied to obtain their unique propagation characteristics and integrate the results into some novel applications. In the first part of this dissertation, the vector wave solution of Maxwell's equations is integrated with the Genetic Algorithm (GA) optimization method to provide a powerful technique for characterizing multi-layered materials, and obtaining their optimal designs. The developed method is successfully applied to determine the optimal composite coatings for Radar Cross Section (RCS) reduction of canonical structures. Both monostatic and bistatic scatterings are explored. A GA with hybrid planar/curved surface implementation is also introduced to efficiently obtain the optimal absorbing materials for curved structures. Furthermore, design optimization of the non-uniform Luneburg and 2-shell spherical lens antennas utilizing modal solution/GA-adaptive-cost function is presented. The lens antennas are effectively optimized for both high gain and suppressed grating lobes. The second part demonstrates the development of an advanced computational engine, which accurately computes the broadband characteristics of challenging periodic electromagnetic band-gap structures. This method utilizes the Finite Difference Time Domain (FDTD) technique with Periodic Boundary Condition/Perfectly Matched Layer (PBC/PML), which is efficiently integrated with the Prony scheme. The computational technique is successfully applied to characterize and present the unique propagation performances of different classes of periodic structures such as Frequency Selective Surfaces (FSS), Photonic Band-Gap (PBG) materials, and Left-Handed (LH) composite media. The results are

  5. 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....

  6. Cresting the wave: proper motions of the Eastern Banded Structure

    Science.gov (United States)

    Deason, Alis J.; Belokurov, Vasily; Koposov, Sergey E.

    2018-01-01

    We study the kinematic properties of the Eastern Banded Structure (EBS) and Hydra I overdensity using exquisite proper motions derived from the Sloan Digital Sky Survey (SDSS) and Gaia source catalogue. Main sequence turn-off stars in the vicinity of the EBS are identified from SDSS photometry; we use the proper motions and, where applicable, spectroscopic measurements of these stars to probe the kinematics of this apparent stream. We find that the EBS and Hydra I share common kinematic and chemical properties with the nearby Monoceros Ring. In particular, the proper motions of the EBS, like Monoceros, are indicative of prograde rotation (Vϕ ∼ 180-220 km s-1), which is similar to the Galactic thick disc. The kinematic structure of stars in the vicinity of the EBS suggests that it is not a distinct stellar stream, but rather marks the 'edge' of the Monoceros Ring. The EBS and Hydra I are the latest substructures to be linked with Monoceros, leaving the Galactic anti-centre a mess of interlinked overdensities which likely share a unified, Galactic disc origin.

  7. High power experimental studies of hybrid photonic band gap accelerator structures

    Directory of Open Access Journals (Sweden)

    JieXi Zhang

    2016-08-01

    Full Text Available This paper reports the first high power tests of hybrid photonic band gap (PBG accelerator structures. Three hybrid PBG (HPBG structures were designed, built and tested at 17.14 GHz. Each structure had a triangular lattice array with 60 inner sapphire rods and 24 outer copper rods sandwiched between copper disks. The dielectric PBG band gap map allows the unique feature of overmoded operation in a TM_{02} mode, with suppression of both lower order modes, such as the TM_{11} mode, as well as higher order modes. The use of sapphire rods, which have negligible dielectric loss, required inclusion of the dielectric birefringence in the design. The three structures were designed to sequentially reduce the peak surface electric field. Simulations showed relatively high surface fields at the triple point as well as in any gaps between components in the clamped assembly. The third structure used sapphire rods with small pin extensions at each end and obtained the highest gradient of 19  MV/m, corresponding to a surface electric field of 78  MV/m, with a breakdown probability of 5×10^{-1} per pulse per meter for a 100-ns input power pulse. Operation at a gradient above 20  MV/m led to runaway breakdowns with extensive light emission and eventual damage. For all three structures, multipactor light emission was observed at gradients well below the breakdown threshold. This research indicated that multipactor triggered at the triple point limited the operational gradient of the hybrid structure.

  8. Determination of the surface band bending in InxGa1−xN films by hard x-ray photoemission spectroscopy

    Directory of Open Access Journals (Sweden)

    Mickael Lozac'h, Shigenori Ueda, Shitao Liu, Hideki Yoshikawa, Sang Liwen, Xinqiang Wang, Bo Shen, Kazuaki Sakoda, Keisuke Kobayashi and Masatomo Sumiya

    2013-01-01

    Full Text Available Core-level and valence band spectra of InxGa1−xN films were measured using hard x-ray photoemission spectroscopy (HX-PES. Fine structure, caused by the coupling of the localized Ga 3d and In 4d with N 2s states, was experimentally observed in the films. Because of the large detection depth of HX-PES (~20 nm, the spectra contain both surface and bulk information due to the surface band bending. The InxGa1−xN films (x = 0–0.21 exhibited upward surface band bending, and the valence band maximum was shifted to lower binding energy when the mole fraction of InN was increased. On the other hand, downward surface band bending was confirmed for an InN film with low carrier density despite its n-type conduction. Although the Fermi level (EF near the surface of the InN film was detected inside the conduction band as reported previously, it can be concluded that EF in the bulk of the film must be located in the band gap below the conduction band minimum.

  9. The structure of stepped surfaces

    International Nuclear Information System (INIS)

    Algra, A.J.

    1981-01-01

    The state-of-the-art of Low Energy Ion Scattering (LEIS) as far as multiple scattering effects are concerned, is discussed. The ion fractions of lithium, sodium and potassium scattered from a copper (100) surface have been measured as a function of several experimental parameters. The ratio of the intensities of the single and double scattering peaks observed in ion scattering spectroscopy has been determined and ion scattering spectroscopy applied in the multiple scattering mode is used to determine the structure of a stepped Cu(410) surface. The average relaxation of the (100) terraces of this surface appears to be very small. The adsorption of oxygen on this surface has been studied with LEIS and it is indicated that oxygen absorbs dissociatively. (C.F.)

  10. 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.

  11. Production and testing of an s-band resonator with a Nb3Sn surface

    International Nuclear Information System (INIS)

    Peiniger, M.

    1983-01-01

    This report describes the preparation of a niobium s-band resonator with Nb3Sn surface using a special vapor phase deposition method. High-frequency superconductivity tests were performed on this resonator. Measurements of transition temperature, penetration depth, energy gap, and temperature dependence of surface conductivity of Nb3Sn, and resonator behaviour at high electrical field strengths are reported. (GSCH)

  12. Dual-band microstrip patch antenna based on metamaterial refractive surface

    Science.gov (United States)

    Salhi, Ridha; Labidi, Mondher; Boujemaa, Mohamed Ali; Choubani, Fethi

    2017-06-01

    In this paper, we present a new design of microstrip patch antenna based on metamaterial refractive surface (MRS). By optimizing the air gap between the MRS layer and the patch antenna to be 7 mm, the band width and the gain of the proposed antenna are significantly enhanced. The proposed prototype presents a dual band antenna. The center frequency for the first band is 2.44 GHz and the generated bandwidth is 25 MHz. The second band has a center frequency of 2.8 GHz and with a bandwidth of 50 MHz. The simulation results are analyzed and discussed in terms of return loss, gain and radiation pattern using electromagnetic simulator software. Finally, the designed dual band antenna is fabricated and different measurement results are performed and compared with simulation results in order to validate its performances. The proposed antenna supports WiBro (wireless broadband), ISM, WiFi, Bluetooth, WiMAX and radars services.

  13. A new perspective for analyzing complex band structures of phononic crystals

    Science.gov (United States)

    Meng, Lingkai; Shi, Zhifei; Cheng, Zhibao

    2018-03-01

    Rewriting the formulation of the Bloch waves, this paper presents a new perspective for analyzing the complex band structures of the in-plane waves in 2D phononic crystals. Using the proposed formulation, a new finite element based method is developed for analyzing 2D periodic systems. The results of the validation example prove that the proposed method can provide exact solutions for both the real and complex band structures of 2D periodic systems. Furthermore, using the proposed method, the complex band structures of a 2D periodic structure are calculated. The physical meanings of the obtained complex band structures are discussed by performing the wave mode analysis.

  14. Energy Bands and Fermi Surface for beta-MgMh and beta-MgTl

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt

    1977-01-01

    surfaces are found to be sp-like but there are narrow 5d bands far below—and wide 3d and 6d bands far above—the Fermi levels. For β′-MgHg the calculated angular variation of extremal cross sections of the Fermi surface agrees very well with de Haas-van Alphen data and thereby provide an interpretation......The energy bands of ordered β′-MgHg and β′-MgTl have been calculated by the relativistic linear-muffintin-orbital method. We show how the gross features of the energy bands may be estimated from Wigner-Seitz rules. The densities of states are calculated and the heat capacities derived. The Fermi...

  15. Electronic band structure of epitaxial PbTe (111) thin films observed by angle-resolved photoemission spectroscopy

    Science.gov (United States)

    Ye, Zhenyu; Cui, Shengtao; Shu, Tianyu; Ma, Songsong; Liu, Yang; Sun, Zhe; Luo, Jun-Wei; Wu, Huizhen

    2017-04-01

    Using angle-resolved photoemission spectroscopy (ARPES), we studied bulk and surface electronic band structures of narrow-gap semiconductor lead telluride (PbTe) thin films grown by molecular beam epitaxy both perpendicular and parallel to the Γ -L direction. The comparison of ARPES data with the first-principles calculation reveals the details of band structures, orbital characters, spin-orbit splitting energies, and surface states. The photon-energy-dependent spectra show the bulk character. Both the L and Σ valence bands are observed and their energy difference is determined. The spin-orbit splitting energies at L and Γ points are 0.62 eV and 0.88 eV, respectively. The surface states below and close to the valence band maximum are identified. The valence bands are composed of a mixture of Pb 6 s and Te 5 pz orbitals with dominant in-plane even parity, which is attributed to the layered distortion in the vicinity of the PbTe (111) surface. These findings provide insights into PbTe fundamental properties and shall benefit relevant thermoelectric and optoelectronic applications.

  16. Surface properties in West Africa from spaceborne radars in C and Ku bands

    Science.gov (United States)

    Fatras, Christophe; Frappart, Frédéric; Mougin, Eric; Frison, Pierre-Louis; Faye, Gayane; Jarlan, Lionel

    2013-04-01

    We propose to compare the backscattering responses of land surfaces in West Africa for different radar spaceborne sensors: the nadir-looking radar altimeters and the side-looking radar scatterometers at different frequencies (Ku and C bands). The data used come from Envisat-RA2 measurements in Ku-band over the period 2003-2010 and the Jason-2 measurements in C band over mid-2008-2011 for radar altimetry, and from QuikSCAT - SeaWinds in Ku-band and Metop - ASCAT in C-band for radar scatterometry over the same time-spans. Along-track profiles and their temporal variations are analyzed and their behaviours are related to surfaces properties such as soil types, vegetation cover, and surface hydrology. Temporal variations of backscattering coefficients are extracted for main land covers along the bio-climatic transect (stone and sand deserts, saharo-sahelian, sahelian, and soudano-sahelian savannahs, tropical-seasonal and tropical forests) and compared to both rainfall estimates from TRMM and vegetation activity (NDVI) from MODIS. Range of variations of the backscattering signals are given for different surfaces and ecosystems along with delays between peaks of rainfall, backscattering responses of radar altimetry and scatterometry, and vegetation activity. The stability of the backscattering is also estimated over deserts and during the dry season over Sahelian environments. Finally, the complementarity of the different spaceborne sensors for continental surfaces monitoring is pointed out.

  17. Structure of the moon's surface

    CERN Document Server

    Fielder, Gilbert

    1961-01-01

    Structure of the Moon's Surface aims to assemble and marshal relevant matter, and to produce a largely unprejudiced text which brings lunar studies up to date and stresses the importance of certain features of the Moon which have frequently been disregarded in the past, largely because of lack of knowledge about them. The book contains 14 chapters organized into two parts. Part I reviews and summarizes important physical problems. These include the liberations of the moon; height determinations of points of the moon's surface; the figure of the moon; and the moon's temperature and atmosphere.

  18. Electronic band structure in porous silicon studied by photoluminescence and photoluminescence excitation spectroscopy

    International Nuclear Information System (INIS)

    Lee, Ki-Won; Kim, Young-You

    2004-01-01

    In this research, we used photoluminescence (PL) and photoluminescence excitation (PLE) to visualize the electronic band structure in porous silicon (PS). From the combined results of the PLE measurements at various PL emission energies and the PL measurements under excitation at various PLE absorption energies, we infer that three different electronic band structures, originating from different luminescent origins, give rise to the PL spectrum. Through either thermal activation or diffusive transfer, excited carriers are moved to each of the electronic band structures.

  19. Unoccupied electronic band structure effects in low-energy SEES and TCS of some d-metals

    International Nuclear Information System (INIS)

    Panchenko, O.F.

    2002-01-01

    The fine structure of the experimental secondary electron emission spectra (SEES) along the normal to a Ir(111) surface and the target (total) current spectra (TCS) along the normal to a Cu(111) surface are interpreted theoretically. It is shown that the fine structure of SEES and TCS is mainly due to the electronic structure of unoccupied high-level electronic states (above the vacuum level E vac ) to which the electrons come or from which they emit. The predominant role of the effects of bulk energy-band structure in the formation of spectra is shown. Comparison to existing experimental data is given

  20. Complete surface plasmon-polariton band gap and gap-governed waveguiding, bending and splitting

    Science.gov (United States)

    Wu, Fengqin; Han, Dezhuan; Hu, Xinhua; Liu, Xiaohan; Zi, Jian

    2009-05-01

    We show theoretically that a complete band gap for surface plasmon-polaritons (SPPs) can exist in a flat metal surface coated with a two-dimensional periodic array of dielectric cylinders. Based on the SPP band gap, gap-governed SPP waveguides, bends and splitters at telecom wavelengths can be achieved by introducing line defects. Numerical simulations show that the proposed SPP waveguides have a very low loss, while SPP bends and splitters can bend and split guided SPPs efficiently. The proposed SPP waveguides, bends and splitters could thus be exploited to construct compact integrated optical circuits in the emerging field of plasmonics.

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

    Science.gov (United States)

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

    2017-09-01

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

  2. Observation of Dirac-like energy band and ring-torus Fermi surface associated with the nodal line in topological insulator CaAgAs

    Science.gov (United States)

    Takane, Daichi; Nakayama, Kosuke; Souma, Seigo; Wada, Taichi; Okamoto, Yoshihiko; Takenaka, Koshi; Yamakawa, Youichi; Yamakage, Ai; Mitsuhashi, Taichi; Horiba, Koji; Kumigashira, Hiroshi; Takahashi, Takashi; Sato, Takafumi

    2018-01-01

    One of key challenges in current material research is to search for new topological materials with inverted bulk-band structure. In topological insulators, the band inversion caused by strong spin-orbit coupling leads to opening of a band gap in the entire Brillouin zone, whereas an additional crystal symmetry such as point-group and nonsymmorphic symmetries sometimes prohibits the gap opening at/on specific points or line in momentum space, giving rise to topological semimetals. Despite many theoretical predictions of topological insulators/semimetals associated with such crystal symmetries, the experimental realization is still relatively scarce. Here, using angle-resolved photoemission spectroscopy with bulk-sensitive soft-x-ray photons, we experimentally demonstrate that hexagonal pnictide CaAgAs belongs to a new family of topological insulators characterized by the inverted band structure and the mirror reflection symmetry of crystal. We have established the bulk valence-band structure in three-dimensional Brillouin zone, and observed the Dirac-like energy band and ring-torus Fermi surface associated with the line node, where bulk valence and conducting bands cross on a line in the momentum space under negligible spin-orbit coupling. Intriguingly, we found that no other bands cross the Fermi level and therefore the low-energy excitations are solely characterized by the Dirac-like band. CaAgAs provides an excellent platform to study the interplay among low-energy electron dynamics, crystal symmetry, and exotic topological properties.

  3. Vibrational dynamics and band structure of methyl-terminated Ge(111)

    International Nuclear Information System (INIS)

    th Street, Chicago, Illinois 60637 (United States))" data-affiliation=" (The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637 (United States))" >Hund, Zachary M.; th Street, Chicago, Illinois 60637 (United States))" data-affiliation=" (The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637 (United States))" >Nihill, Kevin J.; th Street, Chicago, Illinois 60637 (United States))" data-affiliation=" (The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57th Street, Chicago, Illinois 60637 (United States))" >Sibener, S. J.; Campi, Davide; Bernasconi, M.; Wong, Keith T.; Lewis, Nathan S.; Benedek, G.

    2015-01-01

    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 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 3 -Ge(111) and CH 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

  4. 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.

  5. Studies on electronic structure of GaN(0001) surface

    CERN Document Server

    Xie Chang Kun; Xu Fa Qiang; Deng Rui; Liu Feng; Yibulaxin, K

    2002-01-01

    An electronic structure investigation on GaN(0001) is reported. The authors employ a full-potential linearized augmented plane-wave (FPLAPW) approach to calculate the partial density of state, which is in agreement with previous experimental results. The effects of the Ga3d semi-core levels on the electronic structure of GaN are discussed. The valence-electronic structure of the wurtzite GaN(0001) surface is investigated using synchrotron radiation excited angle-resolved photoemission spectroscopy. The bulk bands dispersion along GAMMA A direction in the Brillouin zones is measured using normal-emission spectra by changing photon-energy. The band structure derived from authors' experimental data is compared well with the results of authors' FPLAPW calculation. Furthermore, off-normal emission spectra are also measured along the GAMMA K and GAMMA M directions. Two surface states are identified, and their dispersions are characterized

  6. 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.

  7. Lunar banding in the scleractinian coral Montastraea faveolata: Fine-scale structure and influence of temperature

    Science.gov (United States)

    Winter, Amos; Sammarco, Paul W.

    2010-10-01

    Lunar cycles play an important role in controlling biological rhythms in many organisms, including hermatypic corals. Coral spawning is correlated with environmental factors, including surface seawater temperature (SST) and lunar phase. Calcium carbonate skeletons of corals possess minute structures that, when viewed via X-radiography, produce high-density (HD) annual banding patterns. Some corals possess dissepiments that serve as the microstructural base for upward corallite growth. Here we report the results of detailed structural analysis of the skeleton of Montastraea faveolata (Scleractinia) (Ellis and Solander, 1786) and quantify the number of dissepiments that occur between HD bands, including interannual and intercorallite variability. Using a 30 year database, spanning from 1961 to 1991, we confirm earlier speculation by several authors that the frequencies of these microbands within a year is tightly linked to the lunar cycle. We also demonstrate that the frequency distribution of the number of these dissepiments per year is skewed to lower numbers. Extensive statistical analyses of long-term daily SST records (University of Puerto Rico, Mayaguez) revealed that precipitation of dissepiments is suppressed in years of cooler-than-average seawater temperature. We propose that dissepiment deposition is driven primarily by lunar cycle and seawater temperature, particularly at lower temperatures, and banding is generally unaffected by normal or high temperatures. These fine-scale banding patterns are also strongly correlated with the number of lunar months between reproductive spawning events in average or warmer-than-average seawater temperature years. This microbanding may represent another proxy for high-resolution estimates of variance in marine palaeo-temperatures, particularly during cooler SST years.

  8. A PPM-focused klystron at X-band with a traveling-wave output structure

    International Nuclear Information System (INIS)

    Eppley, K.R.

    1995-01-01

    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

  9. The band gap variation of a two dimensional binary locally resonant structure in thermal environment

    Directory of Open Access Journals (Sweden)

    Zhen Li

    2017-01-01

    Full Text Available In this study, the numerical investigation of thermal effect on band gap dynamical characteristic for a two-dimensional binary structure composed of aluminum plate periodically filled with nitrile rubber cylinder is presented. Initially, the band gap of the binary structure variation trend with increasing temperature is studied by taking the softening effect of thermal stress into account. A breakthrough is made which found the band gap being narrower and shifting to lower frequency in thermal environment. The complete band gap which in higher frequency is more sensitive to temperature that it disappears with temperature increasing. Then some new transformed models are created by changing the height of nitrile rubber cylinder from 1mm to 7mm. Simulations show that transformed model can produce a wider band gap (either flexure or complete band gap. A proper forbidden gap of elastic wave can be utilized in thermal environment although both flexure and complete band gaps become narrower with temperature. Besides that, there is a zero-frequency flat band appearing in the first flexure band, and it becomes broader with temperature increasing. The band gap width decreases trend in thermal environment, as well as the wider band gap induced by the transformed model with higher nitrile rubber cylinder is useful for the design and application of phononic crystal structures in thermal environment.

  10. 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.

  11. Energy Band Structure Studies Of Zinc-Blende GaAs and InAs ...

    African Journals Online (AJOL)

    Energy band structures, density of states and structural parameters of all the compounds are presented and discussed in context with available theoretical and experimental studies. Our results show that the energy band gaps of the semiconductors are underestimated. But overall our results show reasonable agreement ...

  12. Wetting of geometrically structured surfaces

    CERN Document Server

    Bruschi, L; Mistura, G

    2003-01-01

    We review recent experiments on the growth of cryogenic fluids adsorbed on various substrates structured in different ways. On a very well defined array of microscopic linear wedges sculpted on thin Si wafers, the film mass is found to diverge as a power law in the chemical potential difference from saturation with an exponent x=-1.96+-0.10, in very good agreement with recent scaling analysis results. For the other, more irregular patterns, the observed exponents range from -0.95 to -2. In any case, they are always much smaller than those found for flat or rough surfaces.

  13. Spin-polarized quasi-one-dimensional state with finite band gap on the Bi/InSb(001) surface

    Science.gov (United States)

    Kishi, J.; Ohtsubo, Y.; Nakamura, T.; Yaji, K.; Harasawa, A.; Komori, F.; Shin, S.; Rault, J. E.; Le Fèvre, P.; Bertran, F.; Taleb-Ibrahimi, A.; Nurmamat, M.; Yamane, H.; Ideta, S.; Tanaka, K.; Kimura, S.

    2017-11-01

    One-dimensional (1D) electronic states were discovered on the 1D surface atomic structure of Bi fabricated on semiconductor InSb(001) substrates by angle-resolved photoelectron spectroscopy (ARPES). The 1D state showed steep, Dirac-cone-like dispersion along the 1D atomic structure with a finite direct band gap opening as large as 150 meV. Moreover, spin-resolved ARPES revealed the spin polarization of the 1D unoccupied states as well as that of the occupied states, the orientation of which inverted depending on the wave-vector direction parallel to the 1D array on the surface. These results reveal that a spin-polarized quasi-1D carrier was realized on the surface of 1D Bi with highly efficient backscattering suppression, showing promise for use in future spintronics and energy-saving devices.

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

    International Nuclear Information System (INIS)

    Babitsky, Nicolay A.; Leshok, Darya Y.; Mikhaleva, Natalia S.; Kuzubov, Aleksandr A.; Zhereb, Vladimir P.; Kirik, Sergei D.

    2015-01-01

    New bismuth borophosphate Bi 4 BPO 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 2 O 2 ] 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 4 BPO 10 . The strips combining stacks are separated by flat triangle [BO 3 ] 3− -anions within stacks. Neighboring stacks are separated by tetrahedral [PO 4 ] 3− -anions and shifted relatively to each other. Bismuth atoms are placed in 5–7 vertex oxygen irregular polyhedra. Bi 4 BPO 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 4 BPO 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 4 BPO 10 was synthesized. • The crystal structure was determined by X-ray powder diffraction technique. • Bismuth-oxygen part [Bi 4 O 3 ] 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)

  15. Parametric exponentially correlated surface emission model for L-band passive microwave soil moisture retrieval

    Science.gov (United States)

    Surface soil moisture is an important parameter in hydrology and climate investigations. Current and future satellite missions with L-band passive microwave radiometers can provide valuable information for monitoring the global soil moisture. A factor that can play a significant role in the modeling...

  16. Specific heat, Electrical resistivity and Electronic band structure properties of noncentrosymmetric Th7Fe3superconductor.

    Science.gov (United States)

    Tran, V H; Sahakyan, M

    2017-11-17

    Noncentrosymmetric superconductor Th 7 Fe 3 has been investigated by means of specific heat, electrical resisitivity measurements and electronic properties calculations. Sudden drop in the resistivity at 2.05 ± 0.15 K and specific heat jump at 1.98 ± 0.02 K are observed, rendering the superconducting transition. A model of two BCS-type gaps appears to describe the zero-magnetic-field specific heat better than those based on the isotropic BCS theory or anisotropic functions. A positive curvature of the upper critical field H c2 (T c ) and nonlinear field dependence of the Sommerfeld coefficient at 0.4 K qualitatively support the two-gap scenario, which predicts H c2 (0) = 13 kOe. The theoretical densities of states and electronic band structures (EBS) around the Fermi energy show a mixture of Th 6d- and Fe 3d-electrons bands, being responsible for the superconductivity. Furthermore, the EBS and Fermi surfaces disclose significantly anisotropic splitting associated with asymmetric spin-orbit coupling (ASOC). The ASOC sets up also multiband structure, which presumably favours a multigap superconductivity. Electron Localization Function reveals the existence of both metallic and covalent bonds, the latter may have different strengths depending on the regions close to the Fe or Th atoms. The superconducting, electronic properties and implications of asymmetric spin-orbit coupling associated with noncentrosymmetric structure are discussed.

  17. Surface Relaxations, Surface Energies and Electronic Structures of BaSnO3 (001) Surfaces: Ab Initio Calculations

    Science.gov (United States)

    Slassi, A.; Hammi, M.; El Rhazouani, O.

    2017-07-01

    The surface relaxations, surface energies and electronic structures of BaO- and SnO2-terminated BaSnO3 (001) surfaces have been studied by employing the first-principles density functional theory. For both terminations, we find that the upper-layer Ba and Sn atoms move inward, whereas upper-layer O atoms move outward from the surface. Moreover, the largest relaxations are occurred on the first-layer atoms of both terminations. The surface rumpling of BaO-terminated BaSnO3 (001) is slightly less than that of the SnO2-terminated BaSnO3 (001) surface. The surface energies show that both terminated surfaces are energetically stable and favorable. Finally, the surface band gap is slightly decreased for the BaO termination, while it is dramatically decreased for the SnO2 termination.

  18. Structure research of L-band travelling-wave buncher

    International Nuclear Information System (INIS)

    Zhou Wenzhen; Zhang Xiangyang; Ding Shuling

    1996-01-01

    The authors introduce design and tuning of two kinds of the buncher of the L-band high current injector of China Institute of Atomic Energy. Characteristics of the few cavities buncher is shown and the effects of the two modes of the buncher in high current injector are given

  19. 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

  20. 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.

  1. Electronic structure of disordered alloys, surfaces and interfaces

    CERN Document Server

    Turek, Ilja; Kudrnovský, Josef; Šob, Mojmír; Weinberger, Peter

    1997-01-01

    At present, there is an increasing interest in the prediction of properties of classical and new materials such as substitutional alloys, their surfaces, and metallic or semiconductor multilayers. A detailed understanding based on a thus of the utmost importance for fu­ microscopic, parameter-free approach is ture developments in solid state physics and materials science. The interrela­ tion between electronic and structural properties at surfaces plays a key role for a microscopic understanding of phenomena as diverse as catalysis, corrosion, chemisorption and crystal growth. Remarkable progress has been made in the past 10-15 years in the understand­ ing of behavior of ideal crystals and their surfaces by relating their properties to the underlying electronic structure as determined from the first principles. Similar studies of complex systems like imperfect surfaces, interfaces, and mul­ tilayered structures seem to be accessible by now. Conventional band-structure methods, however, are of limited use ...

  2. Design and analysis of coplanar waveguide triple-band antenna based on defected ground structure

    Science.gov (United States)

    Lv, Hong; Chen, Wanli; Xia, Xinsheng; Qi, Peng; Sun, Quanling

    2017-11-01

    A kind of coplanar waveguide triple-band antenna based on defected ground structure is proposed, which has novel structure. Three batches with different frequency band are constructed by utilizing line combination, overlapping, and symmetry method. Stop band signals among three frequency bands are effectively suppressed by slots with different structures. More satisfactory impedance matching is realized by means of changing slot structure and improving return-loss. The presented antenna can operates simultaneously in various systems such as 3G / 4G wireless communication, Bluetooth, Worldwide Interoperability for Microwave Access, Wireless LAN. Test results show that the antenna has good radiation and gain in its working frequency band, and that it has great application potentials.

  3. Effect of pressure on the structural properties and electronic band structure of GaSe

    Energy Technology Data Exchange (ETDEWEB)

    Schwarz, U.; Olguin, D.; Syassen, K. [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany); Cantarero, A. [Department of Materials Sciences, University of Valencia, 46000 Burjasot (Spain); Hanfland, M. [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble (France)

    2007-01-15

    The structural properties of GaSe have been investigated up to 38 GPa by monochromatic X-ray diffraction. The onset of the phase transition from the {epsilon}-GaSe to a disordered NaCl-type structural motif is observed near 21 GPa. Using the experimentally determined lattice parameters of the layered {epsilon}-phase as input, constrained ab-initio total energy calculations were performed in order to optimize the internal structural parameters at different pressures. The results obtained for the nearest-neighbor Ga-Se distance agree with those derived from recent EXAFS measurements. In addition, information is obtained on the changes of Ga-Ga and Se-Se bond lengths which were not accessible to a direct experimental determination yet. Based on the optimized structural parameters, we report calculations of band gap changes of {epsilon}-GaSe under pressure. The optical response and electronic band structure of the metallic high-pressure phase of GaSe are discussed briefly. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. 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.

  5. Energy band structure tailoring of vertically aligned InAs/GaAsSb quantum dot structure for intermediate-band solar cell application by thermal annealing process.

    Science.gov (United States)

    Liu, Wei-Sheng; Chu, Ting-Fu; Huang, Tien-Hao

    2014-12-15

    This study presents an band-alignment tailoring of a vertically aligned InAs/GaAs(Sb) quantum dot (QD) structure and the extension of the carrier lifetime therein by rapid thermal annealing (RTA). Arrhenius analysis indicates a larger activation energy and thermal stability that results from the suppression of In-Ga intermixing and preservation of the QD heterostructure in an annealed vertically aligned InAs/GaAsSb QD structure. Power-dependent and time-resolved photoluminescence were utilized to demonstrate the extended carrier lifetime from 4.7 to 9.4 ns and elucidate the mechanisms of the antimony aggregation resulting in a band-alignment tailoring from straddling to staggered gap after the RTA process. The significant extension in the carrier lifetime of the columnar InAs/GaAsSb dot structure make the great potential in improving QD intermediate-band solar cell application.

  6. Surface structure of AU3Cu(001)

    DEFF Research Database (Denmark)

    Eckstein, G.A.; Maupai, S.; Dakkouri, A.S.

    1999-01-01

    The surface morphology, composition, and structure of Au3Cu(001) as determined by scanning tunneling microscopy and surface x-ray diffraction are presented. Atomic resolution STM images reveal distinctive geometric features. The analysis of the surface x-ray diffraction data provides clear evidence...... for the surface structure. [S0163-1829(99)04535-X]....

  7. Design and Additive Manufacturing of 3D Phononic Band Gap Structures Based on Gradient Based Optimization

    Directory of Open Access Journals (Sweden)

    Maximilian Wormser

    2017-09-01

    Full Text Available We present a novel approach for gradient based maximization of phononic band gaps. The approach is a geometry projection method combining parametric shape optimization with density based topology optimization. By this approach, we obtain, in a two dimension setting, cellular structures exhibiting relative and normalized band gaps of more than 8 and 1.6, respectively. The controlling parameter is the minimal strut size, which also corresponds with the obtained stiffness of the structure. The resulting design principle is manually interpreted into a three dimensional structure from which cellular metal samples are fabricated by selective electron beam melting. Frequency response diagrams experimentally verify the numerically determined phononic band gaps of the structures. The resulting structures have band gaps down to the audible frequency range, qualifying the structures for an application in noise isolation.

  8. Design and Additive Manufacturing of 3D Phononic Band Gap Structures Based on Gradient Based Optimization.

    Science.gov (United States)

    Wormser, Maximilian; Wein, Fabian; Stingl, Michael; Körner, Carolin

    2017-09-22

    We present a novel approach for gradient based maximization of phononic band gaps. The approach is a geometry projection method combining parametric shape optimization with density based topology optimization. By this approach, we obtain, in a two dimension setting, cellular structures exhibiting relative and normalized band gaps of more than 8 and 1.6, respectively. The controlling parameter is the minimal strut size, which also corresponds with the obtained stiffness of the structure. The resulting design principle is manually interpreted into a three dimensional structure from which cellular metal samples are fabricated by selective electron beam melting. Frequency response diagrams experimentally verify the numerically determined phononic band gaps of the structures. The resulting structures have band gaps down to the audible frequency range, qualifying the structures for an application in noise isolation.

  9. Three-dimensional band structure of LaSb and CeSb: Absence of band inversion

    Science.gov (United States)

    Oinuma, H.; Souma, S.; Takane, D.; Nakamura, T.; Nakayama, K.; Mitsuhashi, T.; Horiba, K.; Kumigashira, H.; Yoshida, M.; Ochiai, A.; Takahashi, T.; Sato, T.

    2017-07-01

    We have performed angle-resolved photoemission spectroscopy (ARPES) of LaSb and CeSb, a candidate of topological insulators. Using soft-x-ray photons, we have accurately determined the three-dimensional bulk band structure and revealed that the band inversion at the Brillouin-zone corner, a prerequisite for realizing the topological-insulator phase, is absent in both LaSb and CeSb. Moreover, unlike the ARPES data obtained with soft-x-ray photons, those with VUV photons were found to suffer significant kz broadening. These results suggest that LaSb and CeSb are topologically trivial semimetals, and unusual Dirac-cone-like states observed with VUV photons are not of the topological origin.

  10. Surface and Core Electronic Structure of Oxidized Silicon Nanocrystals

    Directory of Open Access Journals (Sweden)

    Noor A. Nama

    2010-01-01

    Full Text Available Ab initio restricted Hartree-Fock method within the framework of large unit cell formalism is used to simulate silicon nanocrystals between 216 and 1000 atoms (1.6–2.65 nm in diameter that include Bravais and primitive cell multiples. The investigated properties include core and oxidized surface properties. Results revealed that electronic properties converge to some limit as the size of the nanocrystal increases. Increasing the size of the core of a nanocrystal resulted in an increase of the energy gap, valence band width, and cohesive energy. The lattice constant of the core and oxidized surface parts shows a decreasing trend as the nanocrystal increases in a size that converges to 5.28 Ǻ in a good agreement with the experiment. Surface and core convergence to the same lattice constant reflects good adherence of oxide layer at the surface. The core density of states shows highly degenerate states that split at the oxygenated (001-(1×1 surface due to symmetry breaking. The nanocrystal surface shows smaller gap and higher valence and conduction bands when compared to the core part, due to oxygen surface atoms and reduced structural symmetry. The smaller surface energy gap shows that energy gap of the nanocrystal is controlled by the surface part. Unlike the core part, the surface part shows a descending energy gap that proves its obedience to quantum confinement effects. Nanocrystal geometry proved to have some influence on all electronic properties including the energy gap.

  11. 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.

  12. Photoelectron spectroscopy bulk and surface electronic structures

    CERN Document Server

    Suga, Shigemasa

    2014-01-01

    Photoelectron spectroscopy is now becoming more and more required to investigate electronic structures of various solid materials in the bulk, on surfaces as well as at buried interfaces. The energy resolution was much improved in the last decade down to 1 meV in the low photon energy region. Now this technique is available from a few eV up to 10 keV by use of lasers, electron cyclotron resonance lamps in addition to synchrotron radiation and X-ray tubes. High resolution angle resolved photoelectron spectroscopy (ARPES) is now widely applied to band mapping of materials. It attracts a wide attention from both fundamental science and material engineering. Studies of the dynamics of excited states are feasible by time of flight spectroscopy with fully utilizing the pulse structures of synchrotron radiation as well as lasers including the free electron lasers (FEL). Spin resolved studies also made dramatic progress by using higher efficiency spin detectors and two dimensional spin detectors. Polarization depend...

  13. MODIS/Aqua Land Surface Temperature/3-Band Emissivity Daily L3 Global 1km SIN Grid Day V006

    Data.gov (United States)

    National Aeronautics and Space Administration — MODIS/Aqua Land Surface Temperature/3-Band Emissivity Daily L3 Global 1km SIN Grid Day (MYD21A1D.006). A new suite of MODIS Land Surface Temperature (LST) and...

  14. MODIS/Terra Land Surface Temperature/3-Band Emissivity Daily L3 Global 1km SIN Grid Night V006

    Data.gov (United States)

    National Aeronautics and Space Administration — MODIS/Terra Land Surface Temperature/3-Band Emissivity Daily L3 Global 1km SIN Grid Night (MOD21A1N.006). A new suite of MODIS Land Surface Temperature (LST) and...

  15. MODIS/Aqua Land Surface Temperature/3-Band Emissivity Daily L3 Global 1km SIN Grid Night V006

    Data.gov (United States)

    National Aeronautics and Space Administration — MODIS/Aqua Land Surface Temperature/3-Band Emissivity Daily L3 Global 1km SIN Grid Night (MYD21A1N.006). A new suite of MODIS Land Surface Temperature (LST) and...

  16. MODIS/Terra Land Surface Temperature/3-Band Emissivity Daily L3 Global 1km SIN Grid Day V006

    Data.gov (United States)

    National Aeronautics and Space Administration — MODIS/Terra Land Surface Temperature/3-Band Emissivity Daily L3 Global 1km SIN Grid Day (MOD21A1D.006). A new suite of MODIS Land Surface Temperature (LST) and...

  17. C-Band Airport Surface Communications System Standards Development, Phase I

    Science.gov (United States)

    Hall, Edward; Isaacs, James; Zelkin, Natalie; Henriksen. Steve

    2010-01-01

    This document is being provided as part of ITT's NASA Glenn Research Center Aerospace Communication Systems Technical Support (ACSTS) contract NNC05CA85C, Task 7: "New ATM Requirements--Future Communications, C-Band and L-Band Communications Standard Development." The proposed future C-band (5091- to 5150-MHz) airport surface communication system, referred to as the Aeronautical Mobile Airport Communications System (AeroMACS), is anticipated to increase overall air-to-ground data communications systems capacity by using a new spectrum (i.e., not very high frequency (VHF)). Although some critical services could be supported, AeroMACS will also target noncritical services, such as weather advisory and aeronautical information services as part of an airborne System Wide Information Management (SWIM) program. AeroMACS is to be designed and implemented in a manner that will not disrupt other services operating in the C-band. This report defines the AeroMACS concepts of use, high-level system requirements, and architecture; the performance of supporting system analyses; the development of AeroMACS test and demonstration plans; and the establishment of an operational AeroMACS capability in support of C-band aeronautical data communications standards to be advanced in both international (International Civil Aviation Organization, ICAO) and national (RTCA) forums. This includes the development of system parameter profile recommendations for AeroMACS based on existing Institute of Electrical and Electronics Engineering (IEEE) 802.16e- 2009 standards

  18. Defect induced structural inhomogeneity, ultraviolet light emission and near-band-edge photoluminescence broadening in degenerate In2O3 nanowires

    Science.gov (United States)

    Mukherjee, Souvik; Sarkar, Ketaki; Wiederrecht, Gary P.; Schaller, Richard D.; Gosztola, David J.; Stroscio, Michael A.; Dutta, Mitra

    2018-04-01

    We demonstrate here defect induced changes on the morphology and surface properties of indium oxide (In2O3) nanowires and further study their effects on the near-band-edge (NBE) emission, thereby showing the significant influence of surface states on In2O3 nanostructure based device characteristics for potential optoelectronic applications. In2O3 nanowires with cubic crystal structure (c-In2O3) were synthesized via carbothermal reduction technique using a gold-catalyst-assisted vapor-liquid-solid method. Onset of strong optical absorption could be observed at energies greater than 3.5 eV consistent with highly n-type characteristics due to unintentional doping from oxygen vacancy ({V}{{O}}) defects as confirmed using Raman spectroscopy. A combination of high resolution transmission electron microscopy, x-ray photoelectron spectroscopy and valence band analysis on the nanowire morphology and stoichiometry reveals presence of high-density of {V}{{O}} defects on the surface of the nanowires. As a result, chemisorbed oxygen species can be observed leading to upward band bending at the surface which corresponds to a smaller valence band offset of 2.15 eV. Temperature dependent photoluminescence (PL) spectroscopy was used to study the nature of the defect states and the influence of the surface states on the electronic band structure and NBE emission has been discussed. Our data reveals significant broadening of the NBE PL peak consistent with impurity band broadening leading to band-tailing effect from heavy doping.

  19. Defect induced structural inhomogeneity, ultraviolet light emission and near-band-edge photoluminescence broadening in degenerate In 2 O 3 nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Mukherjee, Souvik; Sarkar, Ketaki; Wiederrecht, Gary P.; Schaller, Richard D.; Gosztola, David J.; Stroscio, Michael A.; Dutta, Mitra

    2018-03-01

    We demonstrate here defect induced changes on the morphology and surface properties of indium oxide (In2O3) nanowires and further study their effects on the near-band-edge (NBE) emission, thereby showing the significant influence of surface states on In2O3 nanostructure based device characteristics for potential optoelectronic applications. In2O3 nanowires with cubic crystal structure (c-In2O3) were synthesized via carbothermal reduction technique using a gold-catalyst-assisted vapor–liquid–solid method. Onset of strong optical absorption could be observed at energies greater than 3.5 eV consistent with highly n-type characteristics due to unintentional doping from oxygen vacancy (VO) defects as confirmed using Raman spectroscopy. A combination of high resolution transmission electron microscopy, x-ray photoelectron spectroscopy and valence band analysis on the nanowire morphology and stoichiometry reveals presence of high-density of VO defects on the surface of the nanowires. As a result, chemisorbed oxygen species can be observed leading to upward band bending at the surface which corresponds to a smaller valence band offset of 2.15 eV. Temperature dependent photoluminescence (PL) spectroscopy was used to study the nature of the defect states and the influence of the surface states on the electronic band structure and NBE emission has been discussed. Our data reveals significant broadening of the NBE PL peak consistent with impurity band broadening leading to band-tailing effect from heavy doping.

  20. Tuning colloidal quantum dot band edge positions through solution-phase surface chemistry modification

    Science.gov (United States)

    Kroupa, Daniel M.; Vörös, Márton; Brawand, Nicholas P.; McNichols, Brett W.; Miller, Elisa M.; Gu, Jing; Nozik, Arthur J.; Sellinger, Alan; Galli, Giulia; Beard, Matthew C.

    2017-05-01

    Band edge positions of semiconductors determine their functionality in many optoelectronic applications such as photovoltaics, photoelectrochemical cells and light emitting diodes. Here we show that band edge positions of lead sulfide (PbS) colloidal semiconductor nanocrystals, specifically quantum dots (QDs), can be tuned over 2.0 eV through surface chemistry modification. We achieved this remarkable control through the development of simple, robust and scalable solution-phase ligand exchange methods, which completely replace native ligands with functionalized cinnamate ligands, allowing for well-defined, highly tunable chemical systems. By combining experiments and ab initio simulations, we establish clear relationships between QD surface chemistry and the band edge positions of ligand/QD hybrid systems. We find that in addition to ligand dipole, inter-QD ligand shell inter-digitization contributes to the band edge shifts. We expect that our established relationships and principles can help guide future optimization of functional organic/inorganic hybrid nanostructures for diverse optoelectronic applications.

  1. Electronic Band Structure of BaCo_{2}As_{2}: A Fully Doped Ferropnictide Analog with Reduced Electronic Correlations

    Directory of Open Access Journals (Sweden)

    N. Xu

    2013-01-01

    Full Text Available We report an investigation with angle-resolved photoemission spectroscopy of the Fermi surface and electronic band structure of BaCo_{2}As_{2}. Although its quasinesting-free Fermi surface differs drastically from that of its Fe-pnictide cousins, we show that the BaCo_{2}As_{2} system can be used as an approximation to the bare unoccupied band structure of the related BaFe_{2-x}Co_{x}As_{2} and Ba_{1-x}K_{x}Fe_{2}As_{2} compounds. However, our experimental results, in agreement with dynamical-mean-field-theory calculations, indicate that electronic correlations are much less important in BaCo_{2}As_{2} than in the ferropnictides. Our findings suggest that this effect is due to the increased filling of the electronic 3d shell in the presence of significant Hund’s exchange coupling.

  2. Three band crossings in the yrast structure of 162Hf

    International Nuclear Information System (INIS)

    Bingham, C.R.; Riedinger, L.L.; Courtney, L.H.

    1988-01-01

    The yrast sequence of 162 Hf has been observed up to a level tentatively assigned as 38 + and reveals a continuing rotational character up to that spin. Sharp backbends at rotational frequencies of 0.27 and 0.42 MeV/ℎ are attributed to isub(13/2) neutron and hsub(11/2) proton alignments, respectively. A gradual increase in the aligned angular momentum of the yrast levels between these two sharp backbends is attributed to the rotational alignment of a pair of negative parity quasineutrons (mostly hsub(9/2) in character). The interpretation of this effect is supported by the failure of the negative parity bands, which already contain this aligned hsub(9/2) neutron, to gain alignment in the same rotational frequency range. While the alignment of the hsub(9/2) quasineutrons has been predicted in the cranked shell model to occur in the rare-earth region with a large interaction strength, this represents the first clear observation of such a band crossing. (author)

  3. Stability of graphene band structures against an external periodic perturbation: Na on graphene

    Science.gov (United States)

    Hwang, C. G.; Shin, S. Y.; Choi, Seon-Myeong; Kim, N. D.; Uhm, S. H.; Kim, H. S.; Hwang, C. C.; Noh, D. Y.; Jhi, Seung-Hoon; Chung, J. W.

    2009-03-01

    The electronic structure of Na-adsorbed graphenes formed on the 6H-SiC(0001) substrate was studied using angle-resolved photoemission spectroscopy with synchrotron photons and ab initio pseudopotential calculations. It was found that the band of the graphenes sensitively changes upon Na adsorption especially at low temperature. With increasing Na dose, the π band appears to be quickly diffused into the background at 85 K whereas it becomes significantly enhanced with its spectral intensity at room temperature (RT). A new parabolic band centered at ktilde 1.15Å-1 also forms near Fermi energy with Na at 85 K while no such band was observed at RT. Such changes in the band structure are found to be reversible with temperature. The changes in the π band of graphene are mainly driven by the Na-induced potential especially at low temperature where the potential becomes periodic due to the crystallized Na overlayer. The new parabolic band turns out to be the π band of the underlying buffer layer partially filled by the charge transfer from Na adatoms. The increase in the hopping rate of Na adatoms at RT by 5 orders of magnitude prevents such a charge transfer, explaining the absence of the new band at RT.

  4. Electronic structure of (001) semiconducting MTe surfaces (M = Zn, Cd, Hg)

    International Nuclear Information System (INIS)

    Rodriguez, F.; Camacho, A.; Quiroga, L.; Baquero, R.

    1990-01-01

    By using the tight-binding scheme with ten orbitals per atom (SP 3 s * and two spin orientations) the electronic projected bulk band structure, surface band structure (both anion- and cation-terminated surfaces), and the wave-vector-resolved density of states for these II-VI semiconductors are calculated. A quickly convergent iterative technique is employed for calculating the Green function of the actual semi-infinite crystal. This calculational method allows to precise very accurately, the energy of localized surface states. All the materials considered in this work present surface states with energies lying in the fundamental gap as well as surface states in the lenses opened in the projected bulk valence-band continuum. The atomic weight of each surface state is determined. The states in the fundamental gap turn out to be 'bridge-bond'-type states for anion-terminated surfaces and 'dangling-bond'-type states for cation-terminated surfaces. (author)

  5. Electronic structure of epitaxial chalcopyrite surfaces and interfaces for photovoltaics

    International Nuclear Information System (INIS)

    Hofmann, Andreas

    2012-01-01

    This thesis constitutes a comprehensive study of the surface physics of epitaxial CuInSe 2 films. It comprises analyses of the surface morphology and reconstruction, electronic band structure as well as hetero-junctions relevant to photovoltaic applications. Therefore, especially the aspect of stoichiometry variation from the CuInSe 2 to the copper-deficient defect phases was considered. Preparation and analysis was completely performed under ultra-high vacuum conditions in order to ensure the investigation of well-defined samples free of contaminants. For some of the analysis techniques, single-crystalline samples are indispensable: They allow for the determination of surface periodicity by low-energy electron diffraction (LEED). In combination with concentration depth profiling by angle-resolved x-ray photoemission, to types of surface reconstructions could be distinguished for the near-stoichiometric CuInSe 2 (112) surface. In the copper-rich case, it is stabilized by Cu In anti-site defects and on the indium-rich side by 2 V Cu defects, as predicted by surface total energy calculations by Jaffe and Zunger. Both configurations correspond to a c(4 x 2) reconstruction of the zinc blende type (111) surface. For the defect compound CuIn 3 Se 5 , a sphalerite order of the surface was found, which points at a weakening or absence of the chalcopyrite order in the bulk of the material. The unusual stability of the (112) surface could also be proven by comparison with the reconstruction and surface order of (001) and (220) surfaces. The results from surface analysis were used to measure the valence band structure of the epitaxial samples by synchrotron-based angle-resolved photoelectron spectroscopy. The CuInSe 2 (001) surface gives access to the high symmetry directions Γ-T and Γ-N of momentum space. By contrasting the data obtained for the stoichiometric surface with the copper-poor defect compound, a reduction of the valence band dispersion and a broadening of

  6. Band structure and orbital character of monolayer MoS2 with eleven-band tight-binding model

    Science.gov (United States)

    Shahriari, Majid; Ghalambor Dezfuli, Abdolmohammad; Sabaeian, Mohammad

    2018-02-01

    In this paper, based on a tight-binding (TB) model, first we present the calculations of eigenvalues as band structure and then present the eigenvectors as probability amplitude for finding electron in atomic orbitals for monolayer MoS2 in the first Brillouin zone. In these calculations we are considering hopping processes between the nearest-neighbor Mo-S, the next nearest-neighbor in-plan Mo-Mo, and the next nearest-neighbor in-plan and out-of-plan S-S atoms in a three-atom based unit cell of two-dimensional rhombic MoS2. The hopping integrals have been solved in terms of Slater-Koster and crystal field parameters. These parameters are calculated by comparing TB model with the density function theory (DFT) in the high-symmetry k-points (i.e. the K- and Γ-points). In our TB model all the 4d Mo orbitals and the 3p S orbitals are considered and detailed analysis of the orbital character of each energy level at the main high-symmetry points of the Brillouin zone is described. In comparison with DFT calculations, our results of TB model show a very good agreement for bands near the Fermi level. However for other bands which are far from the Fermi level, some discrepancies between our TB model and DFT calculations are observed. Upon the accuracy of Slater-Koster and crystal field parameters, on the contrary of DFT, our model provide enough accuracy to calculate all allowed transitions between energy bands that are very crucial for investigating the linear and nonlinear optical properties of monolayer MoS2.

  7. Band Jahn-Teller structural phase transition in Y2In

    Science.gov (United States)

    Svanidze, E.; Georgen, C.; Hallas, A. M.; Huang, Q.; Santiago, J. M.; Lynn, J. W.; Morosan, E.

    2018-02-01

    The number of paramagnetic materials that undergo a structural phase transition is rather small, which can perhaps explain the limited understanding of the band Jahn-Teller mechanism responsible for this effect. Here we present a structural phase transition observed in paramagnetic Y2In at temperature T0=250 ±5 K. Below T0, the high-temperature hexagonal P 63/m m c phase transforms into the low-temperature orthorhombic P n m a phase. This transition is accompanied by an unambiguous thermal hysteresis of about 10 K, observed in both magnetic susceptibility M /H (T ) and resistivity ρ (T ) , indicating a first-order transition. Band structure calculations suggest a band Jahn-Teller mechanism, during which the degeneracy of electron bands close to the Fermi energy is broken. We establish that this structural phase transition does not have a magnetic component; however, the possibility of a charge density wave formation has not been eliminated.

  8. Surface Plasmon-Induced Band Gap in the Photocurrent Response of Organic Solar Cells

    Directory of Open Access Journals (Sweden)

    Ribal Georges Sabat

    2010-01-01

    Full Text Available A 260 nm layer of organic bulk heterojunction blend of the polymer poly(3-hexylthiophene (P3HT and the fullerene [6,6]-phenyl C61-butyric (PCBM was spin-coated in between aluminum and gold electrodes, respectively, on top of a laser inscribed azo polymer surface-relief diffraction grating. Angle-dependent surface plasmons (SPs with a large band gap were observed in the normalized photocurrent by the P3HT-PCBM layer as a function of wavelength. The SP-induced photocurrents were also investigated as a function of the grating depth and spacing.

  9. Orientation-dependent chemistry and band-bending of Ti on polar ZnO surfaces.

    Science.gov (United States)

    Borghetti, Patrizia; Mouchaal, Younes; Dai, Zongbei; Cabailh, Gregory; Chenot, Stéphane; Lazzari, Rémi; Jupille, Jacques

    2017-04-19

    Orientation-dependent reactivity and band-bending are evidenced upon Ti deposition (1-10 Å) on polar ZnO(0001)-Zn and ZnO(0001[combining macron])-O surfaces. At the onset of the Ti deposition, a downward band-bending was observed on ZnO(0001[combining macron])-O while no change occurred on ZnO(0001)-Zn. Combining this with the photoemission analysis of the Ti 2p core level and Zn L 3 (L 2 )M 45 M 45 Auger transition, it is established that the Ti/ZnO reaction is of the form Ti + 2ZnO → TiO 2 + 2Zn on ZnO(0001)-Zn and Ti + yZnO → TiZn x O y + (y - x)Zn on ZnO(0001[combining macron])-O. Consistently, upon annealing thicker Ti adlayers, the metallic zinc is removed to leave ZnO(0001)-Zn surfaces covered with a TiO 2 -like phase and ZnO(0001[combining macron])-O surfaces covered with a defined (Ti, Zn, O) compound. Finally, a difference in the activation temperature between the O-terminated (500 K) and Zn-terminated (700 K) surfaces is observed, which is tentatively explained by different electric fields in the space charge layer at ZnO surfaces.

  10. Complete flexural vibration band gaps in membrane-like lattice structures

    International Nuclear Information System (INIS)

    Yu Dianlong; Liu Yaozong; Qiu Jing; Wang Gang; Zhao Honggang

    2006-01-01

    The propagation of flexural vibration in the periodical membrane-like lattice structure is studied. The band structure calculated with the plane wave expansion method indicates the existence of complete gaps. The frequency response function of a finite periodic structure is simulated with finite element method. Frequency ranges with vibration attenuation are in good agreement with the gaps found in the band structure. Much larger attenuations are found in the complete gaps comparing to those directional ones. The existence of complete flexural vibration gaps in such a lattice structure provides a new idea for vibration control of thin plates

  11. Multi-cavity locally resonant structure with the low frequency and broad band-gaps

    Directory of Open Access Journals (Sweden)

    Jiulong Jiang

    2016-11-01

    Full Text Available A multi-cavity periodic structure with the characteristic of local resonance was proposed in the paper. The low frequency band-gap structure was comparatively analyzed by the finite element method (FEM and electric circuit analogy (ECA. Low frequency band-gap can be opened through the dual influence of the coupling’s resonance in the cavity and the interaction among the couplings between structures. Finally, the influence of the structural factors on the band-gap was analyzed. The results show that the structure, which is divided into three parts equally, has a broader effective band-gap below the frequency of 200 Hz. It is also proved that reducing the interval between unit structures can increase the intensity of the couplings among the structures. And in this way, the width of band-gap would be expanded significantly. Through the parameters adjustment, the structure enjoys a satisfied sound insulation effect below the frequency of 500Hz. In the area of low frequency noise reduction, the structure has a lot of potential applications.

  12. Cell and band structures in cold rolled polycrystalline copper

    DEFF Research Database (Denmark)

    Ananthan, V.S.; Leffers, Torben; Hansen, Niels

    1991-01-01

    dislocation walls (DDWs) and cells develop during the initial stages of cold rolling. Grains having a high density of DDWs are described as high wall density (HWD) structures, and grains having a low density of DDWs are described as low wall density (LWD) structures. These structures are characterised by cell...... size, misorientation across the cell walls, and the crystallographic orientation of the grains in which they appear. The DDWs in the HWD structures have special characteristics, extending along several cells and having a misorientation across them greater than that across ordinary cell boundaries...... operating slip systems. Two generations of microbands are found to develop with increasing deformation. The first generation microbands are related to a continuous development of the structure according to the principle of grain subdivision, whereas the second generation microbands relate to localised shear...

  13. Low-frequency photonic band structures in graphene-like triangular metallic lattice

    Science.gov (United States)

    Wang, Kang

    2016-11-01

    We study the low frequency photonic band structures in triangular metallic lattice, displaying Dirac points in the frequency spectrum, and constructed upon the lowest order regular polygonal tiles. We show that, in spite of the unfavourable geometrical conditions intrinsic to the structure symmetry, the lowest frequency photonic bands are formed by resonance modes sustained by local structure patterns, with the corresponding electric fields following a triangular distribution at low structure filling rate and a honeycomb distribution at high filling rate. For both cases, the lowest photonic bands, and thus the plasma gap, can be described in the framework of a tight binding model, and analysed in terms of local resonance modes and their mutual correlations. At high filling rate, the Dirac points and their movement following the structure deformation are described in the same framework, in relation with local structure patterns and their variations, as well as the particularity of the metallic lattice that enhances the topological anisotropy.

  14. Cell and band structures in cold rolled polycrystalline copper

    DEFF Research Database (Denmark)

    Ananthan, V.S.; Leffers, Torben; Hansen, Niels

    1991-01-01

    The effect of plastic strain on the deformation microstructure has been investigated in polycrystalline copper rolled at room temperature to 5, 10, 20, and 30% reduction in thickness equivalent strain 0.06-0.42). Results from transmission electron microscopy (TEM) observations show that dense...... dislocation walls (DDWs) and cells develop during the initial stages of cold rolling. Grains having a high density of DDWs are described as high wall density (HWD) structures, and grains having a low density of DDWs are described as low wall density (LWD) structures. These structures are characterised by cell...... size, misorientation across the cell walls, and the crystallographic orientation of the grains in which they appear. The DDWs in the HWD structures have special characteristics, extending along several cells and having a misorientation across them greater than that across ordinary cell boundaries...

  15. Band Structures Analysis Method of Two-Dimensional Phononic Crystals Using Wavelet-Based Elements

    Directory of Open Access Journals (Sweden)

    Mao Liu

    2017-10-01

    Full Text Available A wavelet-based finite element method (WFEM is developed to calculate the elastic band structures of two-dimensional phononic crystals (2DPCs, which are composed of square lattices of solid cuboids in a solid matrix. In a unit cell, a new model of band-gap calculation of 2DPCs is constructed using plane elastomechanical elements based on a B-spline wavelet on the interval (BSWI. Substituting the periodic boundary conditions (BCs and interface conditions, a linear eigenvalue problem dependent on the Bloch wave vector is derived. Numerical examples show that the proposed method performs well for band structure problems when compared with those calculated by traditional FEM. This study also illustrates that filling fractions, material parameters, and incline angles of a 2DPC structure can cause band-gap width and location changes.

  16. Backscattered EM-wave manipulation using low cost 1-bit reflective surface at W-band

    Science.gov (United States)

    Taher Al-Nuaimi, Mustafa K.; Hong, Wei; He, Yejun

    2018-04-01

    The design of low cost 1-bit reflective (non-absorptive) surfaces for manipulation of backscattered EM-waves and radar cross section (RCS) reduction at W-band is presented in this article. The presented surface is designed based on the reflection phase cancellation principle. The unit cell used to compose the proposed surface has an obelus (division symbol of short wire and two disks above and below) like shape printed on a grounded dielectric material. Using this unit cell, surfaces that can efficiently manipulate the backscattered RCS pattern by using the proposed obelus-shaped unit cell (as ‘0’ element) and its mirrored unit cell (as ‘1’ element) in one surface with a 180°  ±  35° reflection phase difference between their reflection phases are designed. The proposed surfaces can generate various kinds of backscattered RCS patterns, such as single, three, or four lobes or even a low-level (reduced RCS) diffused reflection pattern when those two unit cells are distributed randomly across the surface aperture. For experimental characterization purposes, a 50  ×  50 mm2 surface is fabricated and measured.

  17. Evidence of a green luminescence band related to surface flaws in high purity silica glass

    Energy Technology Data Exchange (ETDEWEB)

    Fournier, J.; Neauport, J.; Grua, P. [CEA, CESTA, F-33114 Le Barp (France); Fournier, J.; Fargin, E.; Jubera, V. [Univ Bordeaux, CNRS, ICMCB, F-33608 Pessac (France); Talaga, D. [Univ Bordeaux, CNRS, ISM, F-33405 Talence (France); Jouannigot, S. [Univ Bordeaux 1, LCTS, SAFRAN, CNRS, CEA, UMR 5801, Pessac (France)

    2010-07-01

    Using luminescence con-focal microscopy under 325 nm laser excitation, we explore the populations of defects existing in or at the vicinity of macroscopic surface flaws in fused silica. We report our luminescence results on two types of surface flaws: laser damage and indentation on fused silica polished surfaces. Luminescence cartographies are made to show the spatial distribution of each kind of defect. Three bands, centered at 1.89 eV, 2.75 eV and 2.25 eV are evidenced on laser damage and indentations. The band centered at 2.25 eV was not previously reported in photo luminescence experiments on indentations and pristine silica, for excitation wavelengths of 325 nm or larger. The luminescent objects, expected to be trapped in sub-surface micro-cracks, are possibly involved in the first step of the laser damage mechanism when fused silica is enlightened at 351 nm laser in nanosecond regime. (authors)

  18. Electron microscopy and x-ray diffraction evidence for two Z-band structural states.

    Science.gov (United States)

    Perz-Edwards, Robert J; Reedy, Michael K

    2011-08-03

    In vertebrate muscles, Z-bands connect adjacent sarcomeres, incorporate several cell signaling proteins, and may act as strain sensors. Previous electron microscopy (EM) showed Z-bands reversibly switch between a relaxed, "small-square" structure, and an active, "basketweave" structure, but the mechanism of this transition is unknown. Here, we found the ratio of small-square to basketweave in relaxed rabbit psoas muscle varied with temperature, osmotic pressure, or ionic strength, independent of activation. By EM, the A-band and both Z-band lattice spacings varied with temperature and pressure, not ionic strength; however, the basketweave spacing was consistently 10% larger than small-square. We next sought evidence for the two Z-band structures in unfixed muscles using x-ray diffraction, which indicated two Z-reflections whose intensity ratios and spacings correspond closely to the EM measurements for small-square and basketweave if the EM spacings are adjusted for 20% shrinkage due to EM processing. We conclude that the two Z-reflections arise from the small-square and basketweave forms of the Z-band as seen by EM. Regarding the mechanism of transition during activation, the effects of Ca(2+) in the presence of force inhibitors suggested that the interconversion of Z-band forms was correlated with tropomyosin movement on actin. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  19. Surface magnetic structures in amorphous ferromagnetic microwires

    International Nuclear Information System (INIS)

    Usov, N.A.; Serebryakova, O.N.; Gudoshnikov, S.A.; Tarasov, V.P.

    2017-01-01

    The spatial period of magnetization perturbations that occur near the surface of magnetic nanotube or nanowire under the influence of surface magnetic anisotropy is determined by means of numerical simulation as a function of the sample geometry and material parameters. The surface magnetization distribution obtained is then used to estimate the period of the surface magnetic texture in amorphous microwire of several micrometers in diameter by means of appropriate variational procedure. The period of the surface magnetic texture in amorphous microwire is found to be significantly smaller than the wire diameter. - Highlights: • Magnetic structure may arise near the magnetic nanotube surface under the influence of surface magnetic anisotropy. • The period of the surface magnetization pattern is calculated as a function of the sample geometry. • Similar magnetic structure may exist in amorphous microwire of several micrometers in diameter. • The period of the surface magnetic structure in amorphous wire is found to be significantly smaller than the wire diameter.

  20. Surface magnetic structures in amorphous ferromagnetic microwires

    Energy Technology Data Exchange (ETDEWEB)

    Usov, N.A., E-mail: usov@obninsk.ru [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation); Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation, Russian Academy of Sciences, IZMIRAN, 108840 Troitsk, Moscow (Russian Federation); Serebryakova, O.N.; Gudoshnikov, S.A. [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation); Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation, Russian Academy of Sciences, IZMIRAN, 108840 Troitsk, Moscow (Russian Federation); Tarasov, V.P. [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation)

    2017-05-01

    The spatial period of magnetization perturbations that occur near the surface of magnetic nanotube or nanowire under the influence of surface magnetic anisotropy is determined by means of numerical simulation as a function of the sample geometry and material parameters. The surface magnetization distribution obtained is then used to estimate the period of the surface magnetic texture in amorphous microwire of several micrometers in diameter by means of appropriate variational procedure. The period of the surface magnetic texture in amorphous microwire is found to be significantly smaller than the wire diameter. - Highlights: • Magnetic structure may arise near the magnetic nanotube surface under the influence of surface magnetic anisotropy. • The period of the surface magnetization pattern is calculated as a function of the sample geometry. • Similar magnetic structure may exist in amorphous microwire of several micrometers in diameter. • The period of the surface magnetic structure in amorphous wire is found to be significantly smaller than the wire diameter.

  1. An ultrathin wide-band planar metamaterial absorber based on a fractal frequency selective surface and resistive film

    International Nuclear Information System (INIS)

    Fan Yue-Nong; Cheng Yong-Zhi; Nie Yan; Wang Xian; Gong Rong-Zhou

    2013-01-01

    We propose an ultrathin wide-band metamaterial absorber (MA) based on a Minkowski (MIK) fractal frequency selective surface and resistive film. This absorber consists of a periodic arrangement of dielectric substrates sandwiched with an MIK fractal loop structure electric resonator and a resistive film. The finite element method is used to simulate and analyze the absorption of the MA. Compared with the MA-backed copper film, the designed MA-backed resistive film exhibits an absorption of 90% at a frequency region of 2 GHz–20 GHz. The power loss density distribution of the MA is further illustrated to explain the mechanism of the proposed MA. Simulated absorptions at different incidence cases indicate that this absorber is polarization-insensitive and wide-angled. Finally, further simulated results indicate that the surface resistance of the resistive film and the dielectric constant of the substrate can affect the absorbing property of the MA. This absorber may be used in many military fields

  2. Influence of strain on band structure of semiconductor nanostructures

    Directory of Open Access Journals (Sweden)

    Raičević Nevena

    2009-01-01

    Full Text Available The influence of the mechanical strain on the electronic structure of the asymmetric (In,GaAs/GaAs quantum well is considered. Both the direct influence of strain on the orbital part of the electronic structure and an indirect influence through the strain dependent Rashba and Dresselhaus Hamiltonians are taken into account. The analyzed quantum well is taken to have a triangular shape, and is oriented along the direction. For this direction, there exists both the intrinsic and strain-induced spin-orbit interaction. For all analyzed types of spin-orbit interaction, subband splittings depend linearly on the in-plane wave vector. On the other hand, the electronic structure for the Rashba type of the strain-induced spin-orbit interaction shows isotropic dependence in the k-space, while the electronic structure due to the Dresselhaus type shows anisotropy. Furthermore, the Rashba strain-induced spin-orbit interaction increases subband splitting, while the effect of the Dresselhaus Hamiltonian on the electronic structure is opposite to the intrinsic spin-orbit interaction for certain polar angles.

  3. [Analysis of the Muscle Fatigue Based on Band Spectrum Entropy of Multi-channel Surface Electromyography].

    Science.gov (United States)

    Liu, Jian; Zou, Renling; Zhang, Dongheng; Xu, Xiulin; Hu, Xiufang

    2016-06-01

    Exercise-induced muscle fatigue is a phenomenon that the maximum voluntary contraction force or power output of muscle is temporarily reduced due to muscular movement.If the fatigue is not treated properly,it will bring about a severe injury to the human body.With multi-channel collection of lower limb surface electromyography signals,this article analyzes the muscle fatigue by adoption of band spectrum entropy method which combined electromyographic signal spectral analysis and nonlinear dynamics.The experimental result indicated that with the increase of muscle fatigue,muscle signal spectrum began to move to low frequency,the energy concentrated,the system complexity came down,and the band spectrum entropy which reflected the complexity was also reduced.By monitoring the entropy,we can measure the degree of muscle fatigue,and provide an indicator to judge fatigue degree for the sports training and clinical rehabilitation training.

  4. 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.

  5. Compact UWB Filtering-Antenna with Controllable WLAN Band Rejection Using Defected Microstrip Structure

    Directory of Open Access Journals (Sweden)

    A. Alhegazi

    2018-04-01

    Full Text Available An ultra-wideband (UWB filtering-antenna with controllable band notch is reported in this paper. The filtering-antenna consists of a modified monopole antenna and defected microstrip structure (DMS. The monopole antenna is modified using microstrip transition in the feedline and block with a triangular-shape slot on each side of the circular patch to produce wider impedance bandwidth with better return loss. The DMS is constructed using U-shaped slot etched on the feedline to provide band notch and remove WLAN band (5.1-5.8 GHz. A switch is employed in the DMS to control the created band notch. The measured results show that the proposed design exhibits a wide impedance bandwidth with controllable WLAN band rejection, realized peak gain of 4.85 dB and omnidirectional radiation pattern. Therefore, the proposed design is suitable for UWB applications.

  6. Electrical properties and band structures of Pb1-x Snx Te alloys

    International Nuclear Information System (INIS)

    Ocio, Miguel

    1972-01-01

    Both p type alloys Pb 0.72 Sn 0.28 Te and Pb 0.53 Sn 0.47 Te have been studied in the present work. The main obtained results are the following: the materials have a two-valence band structure, the first band following non-parabolic Cohen's dispersion law; at low temperatures, carriers are scattered by ionized impurities; the Coulomb potentials being screened almost completely, impurities act like neutral centers. At room temperature, scattering by acoustic modes can explain lattice mobility behavior; reversing of the thermo-power, for samples with carrier densities of about 10 20 cm -3 , is possibly due to inter-band scattering between both valence bands; a very simple picture of the band parameters variations as a function of alloy fraction is suggested. (author) [fr

  7. Precise fabrication of X-band accelerating structure

    International Nuclear Information System (INIS)

    Higo, T.; Sakai, H.; Higashi, Y.; Koike, S.; Takatomi, T.

    1994-01-01

    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. Band structures of graphene hexagonal lattice semiconductor quantum dots

    Science.gov (United States)

    Peng, Juan; Li, Shu-Shen

    2010-12-01

    Electronic structures of coupled semiconductor quantum dots (QDs) arranged as graphene hexagonal lattice are studied theoretically using the tight-binding method. In our calculations, the electrons can hop to the third-nearest-neighbors, and the overlap matrix as well as the multicenter integral are taken into account. The novel two-dimensional Dirac-like electronic excitations in graphene are found in these artificial planar QD structures. The results provide the theoretical basis for searching Dirac fermions in QD materials and have great significance for investigating and making semiconductor QD devices.

  9. Variational energy band theory for polarons: Mapping polaron structure with the global-local method

    International Nuclear Information System (INIS)

    Brown, D.W.; Lindenberg, K.; Zhao, Y.

    1997-01-01

    In this paper we revisit from a contemporary perspective a classic problem of polaron theory in one dimension using a new variational approach generalizing that of Toyozawa, based on delocalized trial states including mixed gobal and local exciton-phonon correlations. Polaron structure is represented by variational surfaces giving the optimal values of the complete set of exciton and phonon amplitudes for every value of the joint exciton-phonon crystal momentum κ. Characteristic small polaron, large polaron, and nearly free phonon structures are identified, and the manner in which these compete and/or coexist is examined in detail. Through such examination, the parameter space of the problem is mapped, with particular attention given to problematic areas such as the highly quantum mechanical weak-coupling regime, the highly nonlinear intermediate-coupling regime, and to the self-trapping transition that may be said to mark the onset of the strong-coupling regime. Complete energy bands are presented in illustrative cases, and the principal trends in the ground-state energy, polaron bandwidth, and effective mass are identified. The internal structure of our variational Bloch states is examined for qualities that might reflect the typical characteristics of solitons, finding some intriguing qualitative comparisons, but little that bears close scrutiny. copyright 1997 American Institute of Physics

  10. Determination of conduction and valence band electronic structure ...

    Indian Academy of Sciences (India)

    insufficient to study in-depth unoccupied states of investigated materials because it overlooks the shallow traps. Keywords. Photo-catalysis; high-resolution RIXS; electronic structure. 1. Introduction. Photocatalysis is an emerging field that offers poten- tial to address some of the energy and waste manage- ment challenges.

  11. Band structure features of nonlinear optical yttrium aluminium borate crystal

    Czech Academy of Sciences Publication Activity Database

    Reshak, Ali H; Auluck, S.; Majchrowski, A.; Kityk, I. V.

    2008-01-01

    Roč. 10, č. 10 (2008), s. 1445-1448 ISSN 1293-2558 Institutional research plan: CEZ:AV0Z60870520 Keywords : Electronic structure * DFF * FPLAPW * LDA Subject RIV: BO - Biophysics Impact factor: 1.742, year: 2008

  12. 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.

  13. Band structures of 4f and 5f materials studied by angle-resolved photoelectron spectroscopy.

    Science.gov (United States)

    Fujimori, Shin-ichi

    2016-04-20

    Recent remarkable progress in angle-resolved photoelectron spectroscopy (ARPES) has enabled the direct observation of the band structures of 4f and 5f materials. In particular, ARPES with various light sources such as lasers (hν ~ 7 eV) or high-energy synchrotron radiations (hν >/~ 400 eV) has shed light on the bulk band structures of strongly correlated materials with energy scales of a few millielectronvolts to several electronvolts. The purpose of this paper is to summarize the behaviors of 4f and 5f band structures of various rare-earth and actinide materials observed by modern ARPES techniques, and understand how they can be described using various theoretical frameworks. For 4f-electron materials, ARPES studies of CeMIn5(M = Rh, Ir, and Co) and YbRh2Si2 with various incident photon energies are summarized. We demonstrate that their 4f electronic structures are essentially described within the framework of the periodic Anderson model, and that the band-structure calculation based on the local density approximation cannot explain their low-energy electronic structures. Meanwhile, electronic structures of 5f materials exhibit wide varieties ranging from itinerant to localized states. For itinerant U5f compounds such as UFeGa5, their electronic structures can be well-described by the band-structure calculation assuming that all U5f electrons are itinerant. In contrast, the band structures of localized U5f compounds such as UPd3 and UO2 are essentially explained by the localized model that treats U5f electrons as localized core states. In regards to heavy fermion U-based compounds such as the hidden-order compound URu2Si2, their electronic structures exhibit complex behaviors. Their overall band structures are generally well-explained by the band-structure calculation, whereas the states in the vicinity of EF show some deviations due to electron correlation effects. Furthermore, the electronic structures of URu2Si2 in the paramagnetic and hidden-order phases are

  14. 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.

  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. Structure of Solids Surfaces in Wear Situations.

    Science.gov (United States)

    1984-10-17

    lactones , respectively. As pointed out by Greenler 12J, the most intense emission bands from a material adsorbed in a thin layer on a metal surface...peroxides are formed instead of hydroper-.,. .," ", oxides. The decomposition of these peroxides then leads to unsaturates , aldehydes, ketones and...around 1100 cm-1 (OH and unsaturation ) and at 730 cm-1 (CH2 rock). weeIt is clear that such analyses are difficult, but can yield a welthof information

  17. Band structure of a two-dimensional Dirac semimetal from cyclotron resonance

    Science.gov (United States)

    Shuvaev, A. M.; Dziom, V.; Mikhailov, N. N.; Kvon, Z. D.; Shao, Y.; Basov, D. N.; Pimenov, A.

    2017-10-01

    Knowing the band structure of materials is one of the prerequisites to understanding their properties. Therefore, angle-resolved photoemission spectroscopy (ARPES) has become a highly demanded experimental tool to investigate the band structure. However, especially in thin film materials with a layered structure and several capping layers, access to the electronic structure by ARPES is limited. Therefore, several alternative methods to obtain the required information have been suggested. Here we directly invert the results by cyclotron resonance experiments to obtain the band structure of a two-dimensional (2D) material. This procedure is applied to the mercury telluride quantum well with a critical thickness which is characterized by a 2D electron gas with linear dispersion relations. The Dirac-like band structure in this material could be mapped both on the electron and on the hole side of the band diagram. In this material, purely linear dispersion of the holelike carriers is in contrast to detectable quadratic corrections for the electrons.

  18. Triple photonic band-gap structure dynamically induced in the presence of spontaneously generated coherence

    International Nuclear Information System (INIS)

    Gao Jinwei; Bao Qianqian; Wan Rengang; Cui Cuili; Wu Jinhui

    2011-01-01

    We study a cold atomic sample coherently driven into the five-level triple-Λ configuration for attaining a dynamically controlled triple photonic band-gap structure. Our numerical calculations show that three photonic band gaps with homogeneous reflectivities up to 92% can be induced on demand around the probe resonance by a standing-wave driving field in the presence of spontaneously generated coherence. All these photonic band gaps are severely malformed with probe reflectivities declining rapidly to very low values when spontaneously generated coherence is gradually weakened. The triple photonic band-gap structure can also be attained in a five-level chain-Λ system of cold atoms in the absence of spontaneously generated coherence, which however requires two additional traveling-wave fields to couple relevant levels.

  19. Pathway to oxide photovoltaics via band-structure engineering of SnO

    Directory of Open Access Journals (Sweden)

    Haowei Peng

    2016-10-01

    Full Text Available All-oxide photovoltaics could open rapidly scalable manufacturing routes, if only oxide materials with suitable electronic and optical properties were developed. SnO has exceptional doping and transport properties among oxides, but suffers from a strongly indirect band gap. Here, we address this shortcoming by band-structure engineering through isovalent but heterostructural alloying with divalent cations (Mg, Ca, Sr, and Zn. Using first-principles calculations, we show that suitable band gaps and optical properties close to that of direct semiconductors are achievable, while the comparatively small effective masses are preserved in the alloys. Initial thin film synthesis and characterization support the feasibility of the approach.

  20. The LDA+U calculation of electronic band structure of GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Bahuguna, B. P., E-mail: pk.svnit@gmail.com; Sharma, R. O.; Saini, L. K. [Applied Physics Department, Sardar Vallabhbhai National Institute of Technology, Surat-395007 (India)

    2016-05-06

    We present the electronic band structure of bulk gallium arsenide (GaAs) using first principle approach. A series of calculations has been performed by applying norm-conserving pseudopotentials and ultrasoft non-norm-conserving pseudopotentials within the density functional theory. These calculations yield too small band gap as compare to experiment. Thus, we use semiemperical approach called local density approximation plus the multi-orbital mean-field Hubbard model (LDA+U), which is quite effective in order to describe the band gap of GaAs.

  1. Pathway to oxide photovoltaics via band-structure engineering of SnO

    Science.gov (United States)

    Peng, Haowei; Bikowski, Andre; Zakutayev, Andriy; Lany, Stephan

    2016-10-01

    All-oxide photovoltaics could open rapidly scalable manufacturing routes, if only oxide materials with suitable electronic and optical properties were developed. SnO has exceptional doping and transport properties among oxides, but suffers from a strongly indirect band gap. Here, we address this shortcoming by band-structure engineering through isovalent but heterostructural alloying with divalent cations (Mg, Ca, Sr, and Zn). Using first-principles calculations, we show that suitable band gaps and optical properties close to that of direct semiconductors are achievable, while the comparatively small effective masses are preserved in the alloys. Initial thin film synthesis and characterization support the feasibility of the approach.

  2. 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.

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

    DEFF Research Database (Denmark)

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

    2005-01-01

    in solving the Maxwell's equations numerically. It expands the temporal derivatives using the finite differences, while it adopts the Fourier transform (FT) properties to expand the spatial derivatives in Maxwell's equations. In addition, the method makes use of the chain-rule property in calculus together...... in electromagnetic and microwave applications once the Maxwell's equations are appropriately modeled. Originality/value - The method validates its values and properties through extensive studies on regular and defective 1D PBG structures in stratified medium, and it can be further extended to solving more...

  4. Polarimetric Signatures from a Crop Covered Land Surface Measured by an L-band Polarimetric Radiometer

    DEFF Research Database (Denmark)

    Søbjærg, Sten Schmidl; Skou, Niels

    2003-01-01

    This paper describes preliminary results from field measurements of polarimetric azimuth signatures with the EMIRAD L-band polarimetric radiometer, performed over a land test site at the Institut National de la Recherche Agronomique in Avignon, France. Scans of 180 degrees in azimuth were carried...... out in order to identify an eventual dependence of the Stokes vector on the look-direction. Results indicate a clear signature, for bare soil as well as for the crop-covered surface, and variations of more than 10 K are observed....

  5. Photonic band structure of isotropic and anisotropic Abrikosov lattices in superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zandi, Hesam [School of Electrical Engineering, Sharif University of Technology, P.O. Box 11365-9363, Tehran (Iran, Islamic Republic of)], E-mail: zandi@ee.sharif.edu; Kokabi, Alireza [School of Electrical Engineering, Sharif University of Technology, P.O. Box 11365-9363, Tehran (Iran, Islamic Republic of); Jafarpour, Aliakbar [School of Physics, Georgia Institute of Technology, Atlanta, GA 30332-0430 (United States); Khorasani, Sina [School of Electrical Engineering, Sharif University of Technology, P.O. Box 11365-9363, Tehran (Iran, Islamic Republic of); Fardmanesh, Mehdi [School of Electrical Engineering, Sharif University of Technology, P.O. Box 11365-9363, Tehran (Iran, Islamic Republic of)], E-mail: fardmanesh@sharif.edu; Adibi, Ali [School of Electrical and Computer Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0250 (United States)

    2007-12-01

    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 for both orthogonal polarizations, 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Kokabi, Alireza; Zandi, Hesam; Khorasani, Sina [School of Electrical Engineering, Sharif University of Technology, P.O. Box 11365-9363, Tehran (Iran, Islamic Republic of); Fardmanesh, Mehdi [School of Electrical Engineering, Sharif University of Technology, P.O. Box 11365-9363, Tehran (Iran, Islamic Republic of)], E-mail: fardmanesh@sharif.edu

    2007-09-01

    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.

  7. Synthesis, physical properties, and band structure of the layered bismuthide PtBi2

    Science.gov (United States)

    Xu, C. Q.; Xing, X. Z.; Xu, Xiaofeng; Li, Bin; Chen, B.; Che, L. Q.; Lu, Xin; Dai, Jianhui; Shi, Z. X.

    2016-10-01

    We report details of single-crystal growth of stoichiometric bismuthide PtBi2 whose structure consists of alternate stacking of a Pt layer and Bi bilayer along the c axis. The compound crystallizes in space group P 3 with a hexagonal unit cell of a =b =6.553 Å,c =6.165 Å . Its T -dependent resistivity is typical of a metal whereas a large anisotropy was observed for the in-plane and interplane electrical transport. The magnetization data show opposite sign for fields parallel and perpendicular to the Pt layers, respectively. The magnetic field response of this material shows clearly two types of charge carriers, consistent with the multiple Fermi surfaces revealed in our band structure calculations. The hydrostatic pressure is shown to suppress the resistivity at high T systematically but has little bearing on its low-T transport. Through calorimetric measurements, the density of states at the Fermi level and the Debye temperature are determined to be 0.94 eV-1 per molecule and 145 K, respectively. In addition, the electronic structures and parity analyses are also presented. We find a minimum value of 0.05 eV gap opening at around 2 eV under the Fermi level by invoking spin-orbit interaction. A slab calculation further indicates a surface Dirac cone appearing in the gap of bulk states. We discuss the possibility of PtBi 2 being a candidate for a bulk topological metal, in analogy to the recently proposed topological superconductor β -PdBi2 .

  8. Band structure and phonon properties of lithium fluoride at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar 382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

    2016-05-23

    High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

  9. Band structure and phonon properties of lithium fluoride at high pressure

    International Nuclear Information System (INIS)

    Panchal, J. M.; Joshi, Mitesh; Gajjar, P. N.

    2016-01-01

    High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

  10. 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.

  11. 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...

  12. Band structure of the solid state - interpretation of the nature of the chemical bond in some transition metal compounds in terms of energy band structure calculations

    International Nuclear Information System (INIS)

    Neckel, A.; Schwarz, K.; Eibler, R.; Weinberger, P.; Rastl, P.

    1975-01-01

    The nature of chemical binding for some transition metal compounds (ScN, ScO, TiC, TiN, Tio, VC, VN, VO) with NaCl structure is discussed in terms of energy band structure calculations. The discussion is based on the wave functions and energy eigenvalues, as calculated by the 'Quasi self sonsistent APW method' as well as on the energy eigen values and eigen vectors resulting from the Slater-Koster LCAO-Tight binding interpolation scheme. The LCAO-TB l-like partial density of states can be used to analyse the valence bands. This analysis shows, that the deepest valence band has predominantly s-character. The following bands, which can be derived in essence from the atomic 2p states of the of the non metal are characterized not only by the partial p-like density of states but also by a substantial contribution from the d-like partial density of states, which is decreasing going from a particular Carbide to the corresponding Oxide. For the valence bands, which can be associated with the atomic 3d states of the metal, the density of states exhibits besides the partial d-density of states small contributions from the partial p-like density of states. The decomposition of the d-like partial density of states into an esub(g)-like and a tsub(2g)-like contribution is discussed. By analyzing the APW crystal wave functions the partial l-like charges inside each atomic sphere can be obtained. If the APW total charges within the atomic spheres are compared with the charges of a hypothetical crystal, which correspond to a superposition of the charge densities of the neutral atoms, a transfer of electrons from the metal to the non-metal sphere is found for all compounds under investigation. (orig.) [de

  13. Moulding of Sub-micrometer Surface Structures

    DEFF Research Database (Denmark)

    Pranov, Henrik; Rasmussen, Henrik K.; Larsen, Niels Bent

    2006-01-01

    The experiments strongly suggest that the possibility to injection mould sub-micrometer surface structures in polymers mainly relates to the forces originating from the adhesive energy between polymer and shim.......The experiments strongly suggest that the possibility to injection mould sub-micrometer surface structures in polymers mainly relates to the forces originating from the adhesive energy between polymer and shim....

  14. Photoelectric effect in surface-barrier structures

    International Nuclear Information System (INIS)

    Kononenko, V.K.; Tupenevich, P.A.

    1985-08-01

    Deviations from the Fowler law were observed when investigating photoelectric emission in p-type ZnTe surface-barrier structures. The revealed peculiarities of the structure photosensitivity spectrum are explained by the electron transitions involving surface states at the metal-semiconductor interface. (author)

  15. Contact area measurements on structured surfaces

    DEFF Research Database (Denmark)

    Kücükyildiz, Ömer Can; Jensen, Sebastian Hoppe Nesgaard; De Chiffre, Leonardo

    In connection with the use of brass specimens featuring structured surfaces in a tribology test, an algorithm was developed for automatic measurement of the contact area by optical means.......In connection with the use of brass specimens featuring structured surfaces in a tribology test, an algorithm was developed for automatic measurement of the contact area by optical means....

  16. Structural analysis, electronic properties, and band gaps of a graphene nanoribbon: A new 2D materials

    Science.gov (United States)

    Dass, Devi

    2018-03-01

    Graphene nanoribbon (GNR), a new 2D carbon nanomaterial, has some unique features and special properties that offer a great potential for interconnect, nanoelectronic devices, optoelectronics, and nanophotonics. This paper reports the structural analysis, electronic properties, and band gaps of a GNR considering different chirality combinations obtained using the pz orbital tight binding model. In structural analysis, the analytical expressions for GNRs have been developed and verified using the simulation for the first time. It has been found that the total number of unit cells and carbon atoms within an overall unit cell and molecular structure of a GNR have been changed with the change in their chirality values which are similar to the values calculated using the developed analytical expressions thus validating both the simulation as well as analytical results. Further, the electronic band structures at different chirality values have been shown for the identification of metallic and semiconductor properties of a GNR. It has been concluded that all zigzag edge GNRs are metallic with very small band gaps range whereas all armchair GNRs show both the metallic and semiconductor nature with very small and high band gaps range. Again, the total number of subbands in each electronic band structure is equal to the total number of carbon atoms present in overall unit cell of the corresponding GNR. The semiconductors GNRs can be used as a channel material in field effect transistor suitable for advanced CMOS technology whereas the metallic GNRs could be used for interconnect.

  17. Band structure calculations for dilute nitride quantum wells under compressive or tensile strain

    International Nuclear Information System (INIS)

    Carrere, H; Marie, X; Barrau, J; Amand, T; Bouzid, S Ben; Sallet, V; Harmand, J-C

    2004-01-01

    We have calculated the band structure of InGaAsN/GaAs(N)/GaAs compressively strained quantum wells (QW) emitting at 1.3 μm using the band anticrossing model and an eight-band kp Hamiltonian. The calculated interband optical transition energies have been compared to the experimental ones deduced from photocurrent, photoluminescence and excitation of photoluminescence spectroscopy experiments and measured laser characteristics extracted from the recent literature. Because of the high compressive strain in the QW, strain-compensated structures may be required in order to grow stable multiple QWs; in view of this we have studied the band structure of InGaAsN/GaAsP/GaAs QWs emitting at 1.3 μm. Dilute nitride structures also offer the possibility of growing tensile strained QW lasers on InP substrate emitting in the 1.55 μm emission wavelength range. In order to evaluate the potentialities of such structures we have determined the band characteristics of InGaAsN/InGaAsP/InP heterostructures with a TM polarized fundamental transition

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

    Czech Academy of Sciences Publication Activity Database

    Markoš, P.; Kuzmiak, Vladimír

    2016-01-01

    Roč. 94, č. 3 (2016), č. článku 033845. ISSN 2469-9926 R&D Projects: GA MŠk(CZ) LD14028 Institutional support: RVO:67985882 Keywords : Crystal structure * Photonic crystals * Two-dimensional arrays Subject RIV: BH - Optics, Masers, Lasers Impact factor: 2.925, year: 2016

  19. 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 dampin...

  20. Electronic band structure of a type-II ‘W’ quantum well calculated by an eight-band k · p model

    International Nuclear Information System (INIS)

    Yu Xiu; Wang Qing; Wei Xin; Chen Liang-Hui; Gu Yong-Xian

    2011-01-01

    In this paper, we present an investigation of type-II ‘W’ quantum wells for the InAs/Ga 1−x In x Sb/AlSb family, where ‘W’ denotes the conduction profile of the material. We focus our attention on using the eight-band k · p model to calculate the band structures within the framework of finite element method. For the sake of clarity, the simulation in this paper is simplified and based on only one period—AlSb/InAs/Ga 1−x In x Sb/InAs/AlSb. The obtained numerical results include the energy levels and wavefunctions of carriers. We discuss the variations of the electronic properties by changing several important parameters, such as the thickness of either InAs or Ga 1−x In x Sb layer and the alloy composition in Ga 1−x In x Sb separately. In the last part, in order to compare the eight-band k · p model, we recalculate the conduction bands of the ‘W’ structure using the one-band k · p model and then discuss the difference between the two results, showing that conduction bands are strongly coupled with valence bands in the narrow band gap structure. The in-plane energy dispersions, which illustrate the suppression of the Auger recombination process, are also obtained. (general)

  1. Research on the Band Gap Characteristics of Two-Dimensional Phononic Crystals Microcavity with Local Resonant Structure

    Directory of Open Access Journals (Sweden)

    Mao Liu

    2015-01-01

    Full Text Available A new two-dimensional locally resonant phononic crystal with microcavity structure is proposed. The acoustic wave band gap characteristics of this new structure are studied using finite element method. At the same time, the corresponding displacement eigenmodes of the band edges of the lowest band gap and the transmission spectrum are calculated. The results proved that phononic crystals with microcavity structure exhibited complete band gaps in low-frequency range. The eigenfrequency of the lower edge of the first gap is lower than no microcavity structure. However, for no microcavity structure type of quadrilateral phononic crystal plate, the second band gap disappeared and the frequency range of the first band gap is relatively narrow. The main reason for appearing low-frequency band gaps is that the proposed phononic crystal introduced the local resonant microcavity structure. This study provides a good support for engineering application such as low-frequency vibration attenuation and noise control.

  2. On the relationship between enamel band complexity and occlusal surface area in Equids (Mammalia, Perissodactyla

    Directory of Open Access Journals (Sweden)

    Nicholas A. Famoso

    2016-07-01

    Full Text Available Enamel patterns on the occlusal surfaces of equid teeth are asserted to have tribal-level differences. The most notable example compares the Equini and Hipparionini, where Equini have higher crowned teeth with less enamel-band complexity and less total occlusal enamel than Hipparionini. Whereas previous work has successfully quantified differences in enamel band shape by dividing the length of enamel band by the square root of the occlusal surface area (Occlusal Enamel Index, OEI, it was clear that OEI only partially removes the effect of body size. Because enamel band length scales allometrically, body size still has an influence on OEI, with larger individuals having relatively longer enamel bands than smaller individuals. Fractal dimensionality (D can be scaled to any level, so we have used it to quantify occlusal enamel complexity in a way that allows us to get at an accurate representation of the relationship between complexity and body size. To test the hypothesis of tribal-level complexity differences between Equini and Hipparionini, we digitally traced a sample of 98 teeth, one tooth per individual; 31 Hipparionini and 67 Equini. We restricted our sampling to the P3-M2 to reduce the effect of tooth position. After calculating the D of these teeth with the fractal box method which uses the number of boxes of various sizes to calculate the D of a line, we performed a t-test on the individual values of D for each specimen, comparing the means between the two tribes, and a phylogenetically informed generalized least squares regression (PGLS for each tribe with occlusal surface area as the independent variable and D as the dependent variable. The slopes of both PGLS analyses were compared using a t-test to determine if the same linear relationship existed between the two tribes. The t-test between tribes was significant (p < 0.0001, suggesting different D populations for each lineage. The PGLS for Hipparionini was a positive but not

  3. Band structure of a three-dimensional topological insulator quantum wire in the presence of a magnetic field.

    Science.gov (United States)

    Liu, Zhe; Jiang, Liwei; Zheng, Yisong

    2016-07-13

    By means of a numerical diagonalization approach, we calculate the electronic structure of a three-dimensional topological insulator (3DTI) quantum wire (QW) in the presence of a magnetic field. The QW can be viewed as a 3DTI film with lateral surfaces, when its rectangular cross section has a large aspect ratio. Our calculation indicates that nonchiral edge states emerge because of the confined states at the lateral surfaces. These states completely cover the valence band region among the Landau levels, which reasonably account for the absence of the [Formula: see text] quantum Hall effect in the relevant experimental works. In an ultrathin 3DTI film, inversion between the electron-type and hole-type bands occurs, which leads to the so-called pseudo-spin Hall effect. In a 3DTI QW with a square cross section, a tilting magnetic field can establish well-defined Landau levels in all four surfaces. In such a case, the quantum Hall edge states are localized at the square corners, characterized by the linearly crossing one-dimensional band profile. And they can be shifted between the adjacent corners by simply rotating the magnetic field.

  4. Atomic and electronic structures of novel silicon surface structures

    Energy Technology Data Exchange (ETDEWEB)

    Terry, J.H. Jr.

    1997-03-01

    The modification of silicon surfaces is presently of great interest to the semiconductor device community. Three distinct areas are the subject of inquiry: first, modification of the silicon electronic structure; second, passivation of the silicon surface; and third, functionalization of the silicon surface. It is believed that surface modification of these types will lead to useful electronic devices by pairing these modified surfaces with traditional silicon device technology. Therefore, silicon wafers with modified electronic structure (light-emitting porous silicon), passivated surfaces (H-Si(111), Cl-Si(111), Alkyl-Si(111)), and functionalized surfaces (Alkyl-Si(111)) have been studied in order to determine the fundamental properties of surface geometry and electronic structure using synchrotron radiation-based techniques.

  5. 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....... 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-cillations are analyzed...

  6. 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

    N/GaN(0001) superlattices are investigated, and the variation of the band gap with the thicknesses of the well and the barrier is discussed. Superlattices of the form mInN/nGaN with n ≥ m are simulated using band structure calculations in the Local Density Approximation with a semiempirical correction...... for the gap error. The calculated band gap shows a strong decrease with the thickness (m) of the InN well. In superlattices containing a single layer of InN (m = 1) the band gap increases weakly with the GaN barrier thickness n, reaching a saturation value around 2 eV. In superlattices with n = m and n > 5...

  7. Effects of surface condition on the work function and valence-band position of ZnSnN2

    Science.gov (United States)

    Shing, Amanda M.; Tolstova, Yulia; Lewis, Nathan S.; Atwater, Harry A.

    2017-12-01

    ZnSnN2 is an emerging wide band gap earth-abundant semiconductor with potential applications in photonic devices such as solar cells, LEDs, and optical sensors. We report the characterization by ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy of reactively radio-frequency sputtered II-IV-nitride ZnSnN2 thin films. For samples transferred in high vacuum, the ZnSnN2 surface work function was 4.0 ± 0.1 eV below the vacuum level, with a valence-band onset of 1.2 ± 0.1 eV below the Fermi level. The resulting band diagram indicates that the degenerate bulk Fermi level position in ZnSnN2 shifts to mid-gap at the surface due to band bending that results from equilibration with delocalized surface states within the gap. Brief (oxygen-evolution reaction.

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

    Energy Technology Data Exchange (ETDEWEB)

    Sutherland, Kevin Jerome [Iowa State Univ., Ames, IA (United States)

    2001-01-01

    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.

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

    International Nuclear Information System (INIS)

    Car, R.; Baroni, S.; Tosatti, E.; Leelaprute, S.

    1981-02-01

    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 X 3 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)

  10. A Compact Quad-Band Bandpass Filter Based on Defected Microstrip Structure

    Science.gov (United States)

    Chen, Lei; Li, Xiao Yan; Wei, Feng

    2017-07-01

    A compact quad-band band-pass filter (BPF) based on stub loaded resonators (SLRs) with defected microstrip structure (DMS) is analyzed and designed in this paper. The proposed resonator is created by embedding DMS into the SLR and can achieve four narrow passbands. By employing the pseudointerdigital coupling structure between the two resonators, transmission zeros among each passband are generated to improve the passband selectivity and a high isolation is achieved. In order to validate its practicability, a prototype of a quad-band BPF centred at 1.57, 2.5, 4.3 and 5.2 GHz is designed and fabricated. The proposed filter is more compact due to the slow-wave characteristic of DMS. The simulated and measured results are in good agreement with each other. In addition, the DMS idea can be extended to the design of other microstrip passive devices.

  11. Self-consistent electronic structure of the contracted tungsten (001) surface

    International Nuclear Information System (INIS)

    Posternak, M.; Krakauer, H.; Freeman, A.J.

    1982-01-01

    Self-consistent linearized-augmented-plane-wave energy-band studies using the warped muffin-tin approximation for a seven-layer W(001) single slab with the surface-layer separation contracted by 6% of the bulk interlayer spacing are reported. Surface electronic structure, local densities of states, generalized susceptibility for the surface, work function, and core-level shifts are found to have insignificant differences with corresponding results for the unrelaxed surface. Several differences in surface states between theory and recent angle-resolved photoemission experiments are discussed in the light of new proposed models of the actual unreconstructed surface structure at high temperatures

  12. Estimation of photonic band gap in the hollow core cylindrical multilayer structure

    Science.gov (United States)

    Chourasia, Ritesh Kumar; Singh, Vivek

    2018-04-01

    The propagation characteristic of two hollow core cylindrical multilayer structures having high and low refractive index contrast of cladding regions have been studied and compared at two design wavelengths i.e. 1550 nm and 632.8 nm. With the help of transfer matrix method a relation between the incoming light wave and outgoing light wave has been developed using the boundary matching technique. In high refractive index contrast, small numbers of layers are sufficient to provide perfect band gap in both design wavelengths. The spectral position and width of band gap is highly depending on the optical path of incident light in all considered cases. For sensing application, the sensitivity of waveguide can be obtained either by monitoring the width of photonic band gap or by monitoring the spectral shift of photonic band gap. Change in the width of photonic band gap with the core refractive index is larger in high refractive index contrast of cladding materials. However, in the case of monitoring the spectral shift of band gap, the obtained sensitivity is large for low refractive index contrast of cladding materials and further it increases with increase of design wavelength.

  13. Sub-µ structured Lotus Surfaces Manufacturing

    DEFF Research Database (Denmark)

    Worgull, Matthias; Heckele, Mathias; Mappes, Timo

    2008-01-01

    Sub-micro structured surfaces allow modifying the behavior of polymer films or components. Especially in micro fluidics a lotus-like characteristic is requested for many applications. Structure details with a high aspect ratio are necessary to decouple the bottom and the top of the functional layer....... Unlike to stochastic methods, patternin¬g with a LIGA-mold insert it is possible to structure surfaces very uniformly or even with controlled variations (e.g. with gradients). In this paper we present the process chain to realize polymer sub-micro structures with minimum lateral feature size of 400 nm...

  14. Designing visual appearance using a structured surface

    DEFF Research Database (Denmark)

    Johansen, Villads Egede; Thamdrup, Lasse Højlund; Smitrup, Christian

    2015-01-01

    followed by numerical and experimental verification. The approach comprises verifying all design and fabrication steps required to produce a desired appearance. We expect that the procedure in the future will yield structurally colored surfaces with appealing prescribed visual appearances....

  15. CAROLS: A New Airborne L-Band Radiometer for Ocean Surface and Land Observations

    DEFF Research Database (Denmark)

    Zribi, Mehrez; Parde, Mickael; Boutin, Jacquline

    2011-01-01

    The "Cooperative Airborne Radiometer for Ocean and Land Studies" (CAROLS) L-Band radiometer was designed and built as a copy of the EMIRAD II radiometer constructed by the Technical University of Denmark team. It is a fully polarimetric and direct sampling correlation radiometer. It is installed ...... is conforming to specification and is a useful tool for Soil Moisture and Ocean Salinity (SMOS) satellite validation as well as for specific studies on surface soil moisture or ocean salinity.......The "Cooperative Airborne Radiometer for Ocean and Land Studies" (CAROLS) L-Band radiometer was designed and built as a copy of the EMIRAD II radiometer constructed by the Technical University of Denmark team. It is a fully polarimetric and direct sampling correlation radiometer. It is installed...... flights were carried out over South West France, the Valencia site and the Bay of Biscay (Atlantic Ocean) in 2007, 2008 and 2009, in coordination with in situ field campaigns. In order to validate the CAROLS data, various aircraft flight patterns and maneuvers were implemented, including straight...

  16. Structure and optical properties of water covered Cu(110) surfaces

    International Nuclear Information System (INIS)

    Baghbanpourasl, A.

    2014-01-01

    (110) surface due to surface relaxation is studied using elastooptic theory. The RAS of the most thermodynamically stable structures are calculated. The calculated spectra can be used as a reference for RAS experiments for determining the adsorbed structure. Calculations show that for all of these structures, RA spectra are sensitive to the water structures considered. In other words different adsorbed water structures have different RA spectra, which makes the structures distinguishable from each other. The origins of the peaks are studied in the band structure and it is observed that surface states are not quenched when water adsorbs in intact form. (author) [de

  17. 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.

  18. 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 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.

  19. Band structure analysis of an analytically solvable Hill equation with continuous potential

    Science.gov (United States)

    Morozov, G. V.; Sprung, D. W. L.

    2015-03-01

    This paper concerns analytically solvable cases of Hill’s equation containing a continuously differentiable periodic potential. We outline a procedure for constructing the Floquet-Bloch fundamental system, and analyze the band structure of the system. The similarities to, and differences from, the cases of a piecewise constant periodic potential and the Mathieu potential, are illuminated.

  20. 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...

  1. Structure of negative parity yrast bands in odd mass 125−131Ce ...

    Indian Academy of Sciences (India)

    4. — journal of. April 2010 physics pp. 525–539. Structure of negative parity yrast bands in odd mass 125−131Ce nuclei. ARUN BHARTI∗, SURAM SINGH and S K KHOSA. Department of ... in 125Ce have been extensively studied up to very high spins in recent years [3,4]. ... The detailed theory of PSM is given in [12].

  2. Carrier-carrier relaxation kinetics in quantum well semiconductor structures with nonparabolic energy bands

    DEFF Research Database (Denmark)

    Dery, H.; Tromborg, Bjarne; Eisenstein, G.

    2003-01-01

    We describe carrier-carrier scattering dynamics in an inverted quantum well structure including the nonparabolic nature of the valance band. A solution of the semiconductor Bloch equations yields strong evidence to a large change in the temporal evolution of the carrier distributions compared...

  3. The Electronic Band Structure of Platinum Oxide (PtO) | Omehe ...

    African Journals Online (AJOL)

    We have performed the electronic band structure of the bulk and monolayer of PtO using the full potential linear muffin-tin orbital and the projector augmented wave method with the density functional theory. We applied the LDA and LDA+U scheme to both methods. It was found out that the LDA calculation of bulk PtO ...

  4. 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.

  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. MODIS/Aqua Land Surface Temperature/3-Band Emissivity 8-Day L3 Global 1km SIN Grid V006

    Data.gov (United States)

    National Aeronautics and Space Administration — MODIS/Aqua Land Surface Temperature/3-Band Emissivity 8-Day L3 Global 1km SIN Grid (MYD21A2.006). A new suite of MODIS Land Surface Temperature (LST) and Emissivity...

  7. MODIS/Terra Land Surface Temperature/3-Band Emissivity 8-Day L3 Global 1km SIN Grid V006

    Data.gov (United States)

    National Aeronautics and Space Administration — MODIS/Terra Land Surface Temperature/3-Band Emissivity 8-Day L3 Global 1km SIN Grid (MOD21A2.006). A new suite of MODIS Land Surface Temperature (LST) and Emissivity...

  8. Reconstructing the energy band electronic structure of pulsed laser deposited CZTS thin films intended for solar cell absorber applications

    Energy Technology Data Exchange (ETDEWEB)

    Pandiyan, Rajesh [Institut National de la Recherche Scientifique, Centre-Énergie, Matériaux et Télécommunications, 1650 Blvd. Lionel–Boulet, C.P. 1020, Varennes, QC J3X-1S2 (Canada); Oulad Elhmaidi, Zakaria [Institut National de la Recherche Scientifique, Centre-Énergie, Matériaux et Télécommunications, 1650 Blvd. Lionel–Boulet, C.P. 1020, Varennes, QC J3X-1S2 (Canada); University of Mohammed V, Faculty of Sciences, Materials Physics Laboratory, B.P. 1014 Rabat (Morocco); Sekkat, Zouheir [Optics & Photonics Center, Moroccan Foundation for Advanced Science, Innovation and Research, Rabat (Morocco); Abd-lefdil, Mohammed [University of Mohammed V, Faculty of Sciences, Materials Physics Laboratory, B.P. 1014 Rabat (Morocco); El Khakani, My Ali, E-mail: elkhakani@emt.inrs.ca [Institut National de la Recherche Scientifique, Centre-Énergie, Matériaux et Télécommunications, 1650 Blvd. Lionel–Boulet, C.P. 1020, Varennes, QC J3X-1S2 (Canada)

    2017-02-28

    Highlights: • High quality CZTS thin films grown by means of PLD technique without resorting to any post sulfurization process. • Effect of thermal annealing treatments (in the 200–500 °C range) on the structural, morphological and optoelectronic properties of PLD-CZTS films. • Experimental determination of key optoelectronic parameters (i.e.; E{sub g}, VBM, ϕ, I{sub p}, and χ) enabling the reconstruction of energy band electronic structure of the PLD-CZTS films. • Investigation on the energy band alignments of the heterojunction interface formed between CZTS and both CdS and ZnS buffer layer materials. - Abstract: We report here on the use of pulsed KrF-laser deposition (PLD) technique for the growth of high-quality Cu{sub 2}ZnSnS{sub 4} (CZTS) thin films onto Si, and glass substrates without resorting to any post sulfurization process. The PLD-CZTS films were deposited at room temperature (RT) and then subjected to post annealing at different temperatures ranging from 200 to 500 °C in Argon atmosphere. The X-ray diffraction and Raman spectroscopy confirmed that the PLD films crystallize in the characteristic kesterite CZTS structure regardless of their annealing temperature (T{sub a}), but their crystallinity is much improved for T{sub a} ≥ 400 °C. The PLD-CZTS films were found to exhibit a relatively dense morphology with a surface roughness (RMS) that increases with T{sub a} (from ∼14 nm at RT to 70 nm at T{sub a} = 500 °C with a value around 40 nm for T{sub a} = 300–400 °C). The optical bandgap of the PLD-CZTS films, was derived from UV–vis transmission spectra analysis, and found to decrease from 1.73 eV for non-annealed films to ∼1.58 eV for those annealed at T{sub a} = 300 °C. These band gap values are very close to the optimum value needed for an ideal solar cell absorber. In order to achieve a complete reconstruction of the one-dimensional energy band structure of these PLD-CZTS absorbers, we have combined both XPS and UPS

  9. Band Structure Engineering in 2D Photonic Crystal Waveguide with Rhombic Cross-Section Elements

    Directory of Open Access Journals (Sweden)

    Abdolrasoul Gharaati

    2014-01-01

    Full Text Available Two-dimensional photonic crystal (2D PhC waveguides with square lattice composed of dielectric rhombic cross-section elements in air background, by using plane wave expansion (PWE method, are investigated. In order to study the change of photonic band gap (PBG by changing of elongation of elements, the band structure of the used structure is plotted. We observe that the size of the PBG changes by variation of elongation of elements, but there is no any change in the magnitude of defect modes. However, the used structure does not have any TE defect modes but it has TM defect mode for any angle of elongation. So, the used structure can be used as optical polarizer.

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

    International Nuclear Information System (INIS)

    Assmann, R.; Decker, F.J.; Seidel, M.; Siemann, R.H.; Whittum, D.

    1997-07-01

    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

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

    International Nuclear Information System (INIS)

    Heng, Jiang; Mi-Lin, Zhang; Yu-Ren, Wang; Yan-Ping, Hu; Ding, Lan; Qun-Li, Wu; Huan-Tong, Lu

    2010-01-01

    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)

  12. The structure of reconstructed chalcopyrite surfaces

    Science.gov (United States)

    Thinius, Sascha; Islam, Mazharul M.; Bredow, Thomas

    2018-03-01

    Chalcopyrite (CuFeS2) surfaces are of major interest for copper exploitation in aqueous solution, called leaching. Since leaching is a surface process knowledge of the surface structure, bonding pattern and oxidation states is important for improving the efficiency. At present such information is not available from experimental studies. Therefore a detailed computational study of chalcopyrite surfaces is performed. The structures of low-index stoichiometric chalcopyrite surfaces {hkl} h, k, l ∈ {0, 1, 2} have been studied with density functional theory (DFT) and global optimization strategies. We have applied ab initio molecular dynamics (MD) in combination with simulated annealing (SA) in order to explore possible reconstructions via a minima hopping (MH) algorithm. In almost all cases reconstruction involving substantial rearrangement has occurred accompanied by reduction of the surface energy. The analysis of the change in the coordination sphere and migration during reconstruction reveals that S-S dimers are formed on the surface. Further it was observed that metal atoms near the surface move toward the bulk forming metal alloys passivated by sulfur. The obtained surface energies of reconstructed surfaces are in the range of 0.53-0.95 J/m2.

  13. Spins, Parity, Excitation Energies, and Octupole Structure of an Excited Superdeformed Band in 194Hg and Implications for Identical Bands

    Science.gov (United States)

    Hackman, G.; Khoo, T. L.; Carpenter, M. P.; Lauritsen, T.; Lopez-Martens, A.; Calderin, I. J.; Janssens, R. V.; Ackermann, D.; Ahmad, I.; Agarwala, S.; Blumenthal, D. J.; Fischer, S. M.; Nisius, D.; Reiter, P.; Young, J.; Amro, H.; Moore, E. F.; Hannachi, F.; Korichi, A.; Lee, I. Y.; Macchiavelli, A. O.; Døssing, T.; Nakatsukasa, T.

    1997-11-01

    An excited superdeformed band in 194Hg, observed to decay directly to both normal-deformed and superdeformed yrast states, is proposed to be a Kπ = 2- octupole vibrational band, based on its excitation energies, spins, and likely parity. The transition energies are identical to those of the yrast superdeformed band in 192Hg, but originate from levels with different spins and parities. The evolution of transition energies with spin suggests that cancellations between pairing and particle alignment are partly responsible for the identical transition energies.

  14. Utilization of surface Plasmon resonance band of silver nanoparticles for determination of critical micelle concentration of cationic surfactants

    Science.gov (United States)

    Salem, Jamil K.; El-Nahhal, Issa M.; Najri, Bassam A.; Hammad, Talaat M.

    2016-11-01

    We have utilized surface Plasmon resonance (SPR) band sensitivity to surfactant concentration to investigate the critical micelle concentration (cmc) of CTAB, HY and CPB. The process is based upon an in situ formation of silver nanoparticles (AgNPs) through the reduction of silver ions (Ag+) by diethylene triamine (DETA) at 25 °C. In the presence of cationic surfactants, Ag+ ions can be reduced to AgNPs in a few minutes, accompanied by changes in intensity and wavelength of the SPR band. The spectral shifts of SPR band and the change of color have been used to determine CMC values of cationic surfactants.

  15. Crystal structure and energy band and optical properties of phosphate Sr3P4O13

    International Nuclear Information System (INIS)

    Zhang, Y.-C.; Cheng, W.-D.; Wu, D.-S.; Zhang, H.; Chen, D.-G.; Gong, Y.-J.; Kan, Z.-G.

    2004-01-01

    A single crystal of the compound Sr 3 P 4 O 13 has been found and the crystal structure has been characterized by means of single crystal X-ray diffraction analysis. The compound crystallizes in triclinic system and belongs to space group P1-bar. It builds up from SrO 7 polyhedra and P 4 O 13 -6 anions and has a layered structure, and the Sr atoms are located in the interlayer space. The absorption and luminescence spectrum of Sr 3 P 4 O 13 microcrystals have been measured. The calculated results of crystal energy band structure by the DFT show that the solid state of Sr 3 P 4 O 13 is an isolator with direct band gap. The calculated total and partial density of states indicate that the top valence bands are contributions from P 3p and O 2p states and low conduction bands mostly originate from Sr atomic states. The calculated optical response functions expect that the Sr 3 P 4 O 13 is a low refractive index, and it is possible that the Sr 3 P 4 O 13 is used to make transparent material between the UV and FR light zone

  16. Influence of leaching on surface composition, microstructure, and valence band of single grain icosahedral Al-Cu-Fe quasicrystal

    International Nuclear Information System (INIS)

    Lowe, M.; McGrath, R.; Sharma, H. R.; Yadav, T. P.; Fournée, V.; Ledieu, J.

    2015-01-01

    The use of quasicrystals as precursors to catalysts for the steam reforming of methanol is potentially one of the most important applications of these new materials. To develop application as a technology requires a detailed understanding of the microscopic behavior of the catalyst. Here, we report the effect of leaching treatments on the surface microstructure, chemical composition, and valence band of the icosahedral (i-) Al-Cu-Fe quasicrystal in an attempt to prepare a model catalyst. The high symmetry fivefold surface of a single grain i-Al-Cu-Fe quasicrystal was leached with NaOH solution for varying times, and the resulting surface was characterized by x-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The leaching treatments preferentially remove Al producing a capping layer consisting of Fe and Cu oxides. The subsurface layer contains elemental Fe and Cu in addition to the oxides. The quasicrystalline bulk structure beneath remains unchanged. The subsurface gradually becomes Fe 3 O 4 rich with increasing leaching time. The surface after leaching exhibits micron sized dodecahedral cavities due to preferential leaching along the fivefold axis. Nanoparticles of the transition metals and their oxides are precipitated on the surface after leaching. The size of the nanoparticles is estimated by high resolution transmission microscopy to be 5-20 nm, which is in agreement with the AFM results. Selected area electron diffraction (SAED) confirms the crystalline nature of the nanoparticles. SAED further reveals the formation of an interface between the high atomic density lattice planes of nanoparticles and the quasicrystal. These results provide an important insight into the preparation of model catalysts of nanoparticles for steam reforming of methanol

  17. Influence of leaching on surface composition, microstructure, and valence band of single grain icosahedral Al-Cu-Fe quasicrystal

    Science.gov (United States)

    Lowe, M.; Yadav, T. P.; Fournée, V.; Ledieu, J.; McGrath, R.; Sharma, H. R.

    2015-03-01

    The use of quasicrystals as precursors to catalysts for the steam reforming of methanol is potentially one of the most important applications of these new materials. To develop application as a technology requires a detailed understanding of the microscopic behavior of the catalyst. Here, we report the effect of leaching treatments on the surface microstructure, chemical composition, and valence band of the icosahedral (i-) Al-Cu-Fe quasicrystal in an attempt to prepare a model catalyst. The high symmetry fivefold surface of a single grain i-Al-Cu-Fe quasicrystal was leached with NaOH solution for varying times, and the resulting surface was characterized by x-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The leaching treatments preferentially remove Al producing a capping layer consisting of Fe and Cu oxides. The subsurface layer contains elemental Fe and Cu in addition to the oxides. The quasicrystalline bulk structure beneath remains unchanged. The subsurface gradually becomes Fe3O4 rich with increasing leaching time. The surface after leaching exhibits micron sized dodecahedral cavities due to preferential leaching along the fivefold axis. Nanoparticles of the transition metals and their oxides are precipitated on the surface after leaching. The size of the nanoparticles is estimated by high resolution transmission microscopy to be 5-20 nm, which is in agreement with the AFM results. Selected area electron diffraction (SAED) confirms the crystalline nature of the nanoparticles. SAED further reveals the formation of an interface between the high atomic density lattice planes of nanoparticles and the quasicrystal. These results provide an important insight into the preparation of model catalysts of nanoparticles for steam reforming of methanol.

  18. Influence of leaching on surface composition, microstructure, and valence band of single grain icosahedral Al-Cu-Fe quasicrystal

    Energy Technology Data Exchange (ETDEWEB)

    Lowe, M.; McGrath, R.; Sharma, H. R. [Surface Science Research Centre and The Department of Physics, The University of Liverpool, Liverpool L69 3BX (United Kingdom); Yadav, T. P. [Hydrogen Energy Centre, Department of Physics, Banaras Hindu University, Varanasi 221005 (India); Fournée, V.; Ledieu, J. [Institut Jean Lamour (UMR7198 CNRS-Université de Lorraine), Parc de Saurupt, 54011 Nancy Cedex (France)

    2015-03-07

    The use of quasicrystals as precursors to catalysts for the steam reforming of methanol is potentially one of the most important applications of these new materials. To develop application as a technology requires a detailed understanding of the microscopic behavior of the catalyst. Here, we report the effect of leaching treatments on the surface microstructure, chemical composition, and valence band of the icosahedral (i-) Al-Cu-Fe quasicrystal in an attempt to prepare a model catalyst. The high symmetry fivefold surface of a single grain i-Al-Cu-Fe quasicrystal was leached with NaOH solution for varying times, and the resulting surface was characterized by x-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The leaching treatments preferentially remove Al producing a capping layer consisting of Fe and Cu oxides. The subsurface layer contains elemental Fe and Cu in addition to the oxides. The quasicrystalline bulk structure beneath remains unchanged. The subsurface gradually becomes Fe{sub 3}O{sub 4} rich with increasing leaching time. The surface after leaching exhibits micron sized dodecahedral cavities due to preferential leaching along the fivefold axis. Nanoparticles of the transition metals and their oxides are precipitated on the surface after leaching. The size of the nanoparticles is estimated by high resolution transmission microscopy to be 5-20 nm, which is in agreement with the AFM results. Selected area electron diffraction (SAED) confirms the crystalline nature of the nanoparticles. SAED further reveals the formation of an interface between the high atomic density lattice planes of nanoparticles and the quasicrystal. These results provide an important insight into the preparation of model catalysts of nanoparticles for steam reforming of methanol.

  19. Band-structure calculations for the 3d transition metal oxides in GW

    Science.gov (United States)

    Lany, Stephan

    2013-02-01

    Many-body GW calculations have emerged as a standard for the prediction of band gaps, band structures, and optical properties for main-group semiconductors and insulators, but it is not well established how predictive the GW method is in general for transition metal (TM) compounds. Surveying the series of 3d oxides within a typical GW approach using the random-phase approximation reveals mixed results, including cases where the calculated band gap is either too small or too large, depending on the oxidation states of the TM (e.g., FeO/Fe2O3, Cu2O/CuO). The problem appears to originate mostly from a too high average d-orbital energy, whereas the splitting between occupied and unoccupied d symmetries seems to be reasonably accurate. It is shown that augmenting the GW self-energy by an attractive (negative) and occupation-independent on-site potential for the TM d orbitals with a single parameter per TM cation can reconcile the band gaps for different oxide stoichiometries and TM oxidation states. In Cu2O, which is considered here in more detail, standard GW based on wave functions from initial density or hybrid functional calculations yields an unphysical prediction with an incorrect ordering of the conduction bands, even when the magnitude of the band gap is in apparent agreement with experiment. The correct band ordering is restored either by applying the d-state potential or by iterating the wave functions to self-consistency, which both have the effect of lowering the Cu-d orbital energy. While it remains to be determined which improvements over standard GW implementations are needed to achieve an accurate ab initio description for a wide range of transition metal compounds, the application of the empirical on-site potential serves to mitigate the problems specifically related to d states in GW calculations.

  20. Ab initio electronic band structure study of III-VI layered semiconductors

    Science.gov (United States)

    Olguín, Daniel; Rubio-Ponce, Alberto; Cantarero, Andrés

    2013-08-01

    We present a total energy study of the electronic properties of the rhombohedral γ-InSe, hexagonal ɛ-GaSe, and monoclinic GaTe layered compounds. The calculations have been done using the full potential linear augmented plane wave method, including spin-orbit interaction. The calculated valence bands of the three compounds compare well with angle resolved photoemission measurements and a discussion of the small discrepancies found has been given. The present calculations are also compared with recent and previous band structure calculations available in the literature for the three compounds. Finally, in order to improve the calculated band gap value we have used the recently proposed modified Becke-Johnson correction for the exchange-correlation potential.

  1. Dual Band Notched EBG Structure based UWB MIMO/Diversity Antenna with Reduced Wide Band Electromagnetic Coupling

    Science.gov (United States)

    Jaglan, Naveen; Kanaujia, Binod Kumar; Gupta, Samir Dev; Srivastava, Shweta

    2017-10-01

    A dual band-notched MIMO/Diversity antenna is proposed in this paper. The proposed antenna ensures notches in WiMAX band (3.3-3.6 GHz) besides WLAN band (5-6 GHz). Mushroom Electromagnetic Band Gap (EBG) arrangements are employed for discarding interfering frequencies. The procedure followed to attain notches is antenna shape independent with established formulas. The electromagnetic coupling among two narrowly set apart Ultra-Wide Band (UWB) monopoles is reduced by means of decoupling bands and slotted ground plane. Monopoles are 90° angularly parted with steps on the radiator. This aids to diminish mutual coupling and also adds in the direction of impedance matching by long current route. S21 or else mutual coupling of fewer than 15 dB is established over antenna operating range. Two-port envelope correlation coefficient is lower than 0.02 in UWB range of 3.1 GHz-10.6 GHz. The shifting in notch frequencies by varying variables in formulas is also reported. The suggested antenna is designed on low budget FR-4 substrate with measurements as (58 × 45 × 1.6) mm3. Simulated and measured results of fabricated antenna are found to be in close agreement.

  2. A ppM-focused klystron at X-band with a travelling-wave output structure

    International Nuclear Information System (INIS)

    Eppley, K.R.

    1994-10-01

    We have developed algorithms for designing disk-loaded travelling-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 3D, 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

  3. Probing the Electronic Structure and Band Gap Evolution of Titanium Oxide Clusters (TiO2)n- (n=1-10) Using Photoelectron Spectroscopy

    International Nuclear Information System (INIS)

    Zhai, Hua-jin; Wang, Lai S.

    2007-01-01

    TiO2 is a wide-band gap semiconductor and it is an important material for photocatalysis. Here we report an experimental investigation of the electronic structure of (TiO2)n clusters and how their band gap evolves as a function of size using anion photoelectron spectroscopy (PES). PES spectra of (TiO2)n- clusters for n = 1-10 have been obtained at 193 (6.424 eV) and 157 nm (7.866 eV). The high photon energy at 157 nm allows the band gap of the TiO2 clusters to be clearly revealed up to n = 10. The band gap is observed to be strongly size-dependent for n 1 appears to be localized in a tricoordinated Ti atom, creating a single Ti3+ site and making these clusters ideal molecular models for mechanistic understanding of TiO2 surface defects and photocatalytic properties

  4. Multi-use applications of dual-band infrared (DBIR) thermal imaging for detecting obscured structural defects

    Energy Technology Data Exchange (ETDEWEB)

    Del Grande, N.K.; Durbin, P.F.

    1994-05-01

    Precise dual-band infrared (DBIR) thermal imaging provides a useful diagnostic tool for wide-area detection of defects from corrosion damage in metal airframes, heat damage in composite structures and structural damage in concrete bridge decks. We use DBIR image ratios to enhance surface temperature contrast, remove surface emissivity noise and increase signal-to-clutter ratios. We clarify interpretation of hidden defect sites by distinguishing temperature differences at defect sites from emissivity differences at clutter sites. This reduces the probability of false calls associated with misinterpreted image data. For airframe inspections, we map flash-heated defects in metal structures. The surface temperature rise above ambient at corrosion-thinned sites correlates with the percentage of material loss from corrosion thinning. For flash-heated composite structures, we measure the temperature-time history which relates to the depth and extent of heat damage. In preparation for bridge deck inspections, we map the natural day and night temperature variations at known concrete slab delamination sites which heat and coot at different rates than their surroundings. The above-ambient daytime and below-ambient nightime delamination site temperature differences correlate with the volume of replaced concrete at the delamination sites.

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

    International Nuclear Information System (INIS)

    Szczęśniak, Dominik; Ennaoui, Ahmed; Ahzi, Saïd

    2016-01-01

    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. (paper)

  6. 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.

  7. Electronic structures and band gaps of chains and sheets based on phenylacetylene units

    International Nuclear Information System (INIS)

    Kondo, Masakazu; Nozaki, Daijiro; Tachibana, Masamitsu; Yumura, Takashi; Yoshizawa, Kazunari

    2005-01-01

    We investigate the electronic structures of polymers composed of π-conjugated phenylacetylene (PA) units, m-PA-based and p-PA-based wires, at the extended Hueckel level of theory. It is demonstrated that these conjugated systems should have a variety of electric conductance. All of the one-dimensional (1D) chains and the two-dimensional (2D) sheet based on the m-PA unit are insulators with large band gaps of 2.56 eV because there is no effective orbital interaction with neighboring chains. On the other hand, p-PA-based 1D chains have relatively small band gaps that decrease with an increase in chain width (1.17-1.74 eV) and are semiconductive. The p-PA-based sheet called 'graphyne', a 2D-limit of the p-PA-based 1D chains, shows a small band gap of 0.89 eV. The variety of band electronic structures is discussed in terms of frontier crystal orbitals

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

    Directory of Open Access Journals (Sweden)

    Brian J. Munroe

    2016-03-01

    Full Text Available 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 TM_{01} 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.

  9. Band Structure of Topological Insulator BiSbTe1.25Se1.75.

    Science.gov (United States)

    Lohani, H; Mishra, P; Banerjee, A; Majhi, K; Ganesan, R; Manju, U; Topwal, D; Kumar, P S Anil; Sekhar, B R

    2017-07-04

    We present our angle resolved photoelectron spectroscopy (ARPES) and density functional theory results on quaternary topological insulator (TI) BiSbTe 1.25 Se 1.75 (BSTS) confirming the non-trivial topology of the surface state bands (SSBs) in this compound. We find that the SSBs, which are are sensitive to the atomic composition of the terminating surface have a partial 3D character. Our detailed study of the band bending (BB) effects shows that in BSTS the Dirac point (DP) shifts by more than two times compared to that in Bi 2 Se 3 to reach the saturation. The stronger BB in BSTS could be due to the difference in screening of the surface charges. From momentum density curves (MDCs) of the ARPES data we obtained an energy dispersion relation showing the warping strength of the Fermi surface in BSTS to be intermediate between those found in Bi 2 Se 3 and Bi 2 Te 3 and also to be tunable by controlling the ratio of chalcogen/pnictogen atoms. Our experiments also reveal that the nature of the BB effects are highly sensitive to the exposure of the fresh surface to various gas species. These findings have important implications in the tuning of DP in TIs for technological applications.

  10. Structured free-water clusters near lubricating surfaces are essential in water-based lubrication.

    Science.gov (United States)

    Hou, Jiapeng; Veeregowda, Deepak H; de Vries, Joop; Van der Mei, Henny C; Busscher, Henk J

    2016-10-01

    Water-based lubrication provides cheap and environmentally friendly lubrication and, although hydrophilic surfaces are preferred in water-based lubrication, often lubricating surfaces do not retain water molecules during shear. We show here that hydrophilic (42° water contact angle) quartz surfaces facilitate water-based lubrication to the same extent as more hydrophobic Si crystal surfaces (61°), while lubrication by hydrophilic Ge crystal surfaces (44°) is best. Thus surface hydrophilicity is not sufficient for water-based lubrication. Surface-thermodynamic analyses demonstrated that all surfaces, regardless of their water-based lubrication, were predominantly electron donating, implying water binding with their hydrogen groups. X-ray photoelectron spectroscopy showed that Ge crystal surfaces providing optimal lubrication consisted of a mixture of -O and =O functionalities, while Si crystal and quartz surfaces solely possessed -O functionalities. Comparison of infrared absorption bands of the crystals in water indicated fewer bound-water layers on hydrophilic Ge than on hydrophobic Si crystal surfaces, while absorption bands for free water on the Ge crystal surface indicated a much more pronounced presence of structured, free-water clusters near the Ge crystal than near Si crystal surfaces. Accordingly, we conclude that the presence of structured, free-water clusters is essential for water-based lubrication. The prevalence of structured water clusters can be regulated by adjusting the ratio between surface electron-donating and electron-accepting groups and between -O and =O functionalities. © 2016 The Author(s).

  11. Autopsy on an RF-Processed X-band Travelling Wave Structure

    International Nuclear Information System (INIS)

    Le Pimpec, Frederic

    2002-01-01

    In an effort to locate the cause(s) of high electric-field breakdown in x-band accelerating structures, we have cleanly-autopsied (no debris added by post-operation structure disassembly) an RF-processed structure. Macroscopic localization provided operationally by RF reflected wave analysis and acoustic sensor pickup was used to connect breakdowns to autopsied crater damage areas. Surprisingly, the microscopic analyses showed breakdown craters in areas of low electric field. High currents induced by the magnetic field on sharp corners of the input coupler appears responsible for the extreme breakdown damage observed

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

    International Nuclear Information System (INIS)

    Jungwirth, T.; Novak, V.; Cukr, M.; Zemek, J.; Marti, X.; Horodyska, P.; Nemec, P.; Holy, V.; Maca, F.; Shick, A. B.; Masek, J.; Kuzel, P.; Nemec, I.; Gallagher, B. L.; Campion, R. P.; Foxon, C. T.; Wunderlich, J.

    2011-01-01

    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.

  13. Experimental Studies of W-Band Accelerator Structures at High Field

    Energy Technology Data Exchange (ETDEWEB)

    Hill, Marc E

    2001-02-09

    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 electromagnetic field solver. Manufacturing considerations of the small, delicate mm-wave components and the steps taken to reach a robust fabrication process are detailed. These devices were characterized under low power using a two-port vector network analyzer to verify tune and match, including measurements of the structures' fields using a bead-pull. The measurements are compared with theory throughout. Addition studies of the W-band structures were performed under high power utilizing a 11.424 GHz electron linac as a current source. Test results include W-band power levels of 200 kW, corresponding to fields in the PDA of over 20 MV/m, a higher gradient than any collider. Planar accelerator devices naturally have an rf quadrupole component of the accelerating field. Presented for the first time are the measurements of this effect.

  14. Role of band 3 in the erythrocyte membrane structural changes under thermal fluctuations -multi scale modeling considerations.

    Science.gov (United States)

    Pajic-Lijakovic, Ivana

    2015-12-01

    An attempt was made to discuss and connect various modeling approaches on various time and space scales which have been proposed in the literature in order to shed further light on the erythrocyte membrane rearrangement caused by the cortex-lipid bilayer coupling under thermal fluctuations. Roles of the main membrane constituents: (1) the actin-spectrin cortex, (2) the lipid bilayer, and (3) the trans membrane protein band 3 and their course-consequence relations were considered in the context of the cortex non linear stiffening and corresponding anomalous nature of energy dissipation. The fluctuations induce alternating expansion and compression of the membrane parts in order to ensure surface and volume conservation. The membrane structural changes were considered within two time regimes. The results indicate that the cortex non linear stiffening and corresponding anomalous nature of energy dissipation are related to the spectrin flexibility distribution and the rate of its changes. The spectrin flexibility varies from purely flexible to semi flexible. It is influenced by: (1) the number of band 3 molecules attached to single spectrin filaments, and (2) phosphorylation of the actin-junctions. The rate of spectrin flexibility changes depends on the band 3 molecules rearrangement.

  15. Thermal stability of the optical band gap and structural order in hot-wire-deposited amorphous silicon

    CSIR Research Space (South Africa)

    Arendse, CJ

    2009-01-01

    Full Text Available and that the structural disorder increases upon annealing. The increase in the structural disorder results in a broadening of the valence and conduction band tails, thereby pinning the valence and conduction band edges closer together, resulting in a decrease...

  16. Projective and superconformal structures on surfaces

    International Nuclear Information System (INIS)

    Harvey, W.J.

    1990-01-01

    Much attention has recently been given to the study of super Riemann surfaces. Detailed accounts of these objects and their infinitesimal deformation theory are referenced where they are fitted into the framework of complex supermanifolds, superconformal structures and graded sheaves. One difficulty, which seems even more of a barrier than in the case of classical deformations of Riemann surface structure, is the lack of a good global description of super-moduli spaces. In this note, we outline an approach which places the theory in the classical setting of projective structures on variable Riemann surfaces. We explain how to construct a distribution (family of vector subspaces) inside the holomorphic cotangent space to the moduli space M g of Riemann surfaces with genus g and furnished with a level-4 homology structure, such that the corresponding rank-(2g-2) complex vector bundle models the soul deformations of a family of super-Riemann surfaces. The keystone in this construction is the existence of holomorphic sections for the space of non-singular odd theta characteristics on C g the universal curve over M g . (author)

  17. Observation of wakefields in a beam-driven photonic band gap accelerating structure

    Directory of Open Access Journals (Sweden)

    C. Jing

    2009-12-01

    Full Text Available Wakefield excitation has been experimentally studied in a three-cell X-band standing wave photonic band gap (PBG accelerating structure. Major monopole (TM_{01}- and TM_{02}-like and dipole (TM_{11}- and TM_{12}-like modes were identified and characterized by precisely controlling the position of beam injection. The quality factor Q of the dipole modes was measured to be ∼10  times smaller than that of the accelerating mode. A charge sweep, up to 80 nC, has been performed, equivalent to ∼30  MV/m accelerating field on axis. A variable delay low charge witness bunch following a high charge drive bunch was used to calibrate the gradient in the PBG structure by measuring its maximum energy gain and loss. Experimental results agree well with numerical simulations.

  18. Harnessing the bistable composite shells to design a tunable phononic band gap structure

    Science.gov (United States)

    Li, Yi; Xu, Yanlong

    2018-02-01

    By proposing a system composed of an array of bistable composite shells immersed in air, we develop a new class of periodic structure to control the propagation of sound. Through numerical investigation, we find that the acoustic band gap of this system can be switched on and off by triggering the snap through deformation of the bistable composite shells. The shape of cross section and filling fraction of unit cell can be altered by different number of bistable composite shells, and they have strong impact on the position and width of the band gap. The proposed concept paves the way of using the bistable structures to design a new class of metamaterials that can be enable to manipulate sound.

  19. Structural Coloration of Colloidal Fiber by Photonic Band Gap and Resonant Mie Scattering.

    Science.gov (United States)

    Yuan, Wei; Zhou, Ning; Shi, Lei; Zhang, Ke-Qin

    2015-07-01

    Because structural color is fadeless and dye-free, structurally colored materials have attracted great attention in a wide variety of research fields. In this work, we report the use of a novel structural coloration strategy applied to the fabrication of colorful colloidal fibers. The nanostructured fibers with tunable structural colors were massively produced by colloidal electrospinning. Experimental results and theoretical modeling reveal that the homogeneous and noniridescent structural colors of the electrospun fibers are caused by two phenomena: reflection due to the band gap of photonic structure and Mie scattering of the colloidal spheres. Our unprecedented findings show promise in paving way for the development of revolutionary dye-free technology for the coloration of various fibers.

  20. Automated band annotation for RNA structure probing experiments with numerous capillary electrophoresis profiles.

    Science.gov (United States)

    Lee, Seungmyung; Kim, Hanjoo; Tian, Siqi; Lee, Taehoon; Yoon, Sungroh; Das, Rhiju

    2015-09-01

    Capillary electrophoresis (CE) is a powerful approach for structural analysis of nucleic acids, with recent high-throughput variants enabling three-dimensional RNA modeling and the discovery of new rules for RNA structure design. Among the steps composing CE analysis, the process of finding each band in an electrophoretic trace and mapping it to a position in the nucleic acid sequence has required significant manual inspection and remains the most time-consuming and error-prone step. The few available tools seeking to automate this band annotation have achieved limited accuracy and have not taken advantage of information across dozens of profiles routinely acquired in high-throughput measurements. We present a dynamic-programming-based approach to automate band annotation for high-throughput capillary electrophoresis. The approach is uniquely able to define and optimize a robust target function that takes into account multiple CE profiles (sequencing ladders, different chemical probes, different mutants) collected for the RNA. Over a large benchmark of multi-profile datasets for biological RNAs and designed RNAs from the EteRNA project, the method outperforms prior tools (QuSHAPE and FAST) significantly in terms of accuracy compared with gold-standard manual annotations. The amount of computation required is reasonable at a few seconds per dataset. We also introduce an 'E-score' metric to automatically assess the reliability of the band annotation and show it to be practically useful in flagging uncertainties in band annotation for further inspection. The implementation of the proposed algorithm is included in the HiTRACE software, freely available as an online server and for download at http://hitrace.stanford.edu. sryoon@snu.ac.kr or rhiju@stanford.edu Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  1. 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.

  2. 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 - others: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

  3. Impact of Surface Soil Moisture Variations on Radar Altimetry Echoes at Ku and Ka Bands in Semi-Arid Areas

    Directory of Open Access Journals (Sweden)

    Christophe Fatras

    2018-04-01

    Full Text Available Radar altimetry provides information on the topography of the Earth surface. It is commonly used for the monitoring not only sea surface height but also ice sheets topography and inland water levels. The radar altimetry backscattering coefficient, which depends on surface roughness and water content, can be related to surface properties such as surface soil moisture content. In this study, the influence of surface soil moisture on the radar altimetry echo and backscattering coefficient is analyzed over semi-arid areas. A semi-empirical model of the soil’s complex dielectric permittivity that takes into account that small-scale roughness and large-scale topography was developed to simulate the radar echoes. It was validated using waveforms acquired at Ku and Ka-bands by ENVISAT RA-2 and SARAL AltiKa respectively over several sites in Mali. Correlation coefficients ranging from 0.66 to 0.94 at Ku-band and from 0.27 to 0.96 at Ka-band were found. The increase in surface soil moisture from 0.02 to 0.4 (i.e., the typical range of variations in semi-arid areas increase the backscattering from 10 to 15 dB between the core of the dry and the maximum of the rainy seasons.

  4. Fabrication and cold test of photonic band gap resonators and accelerator structures

    Directory of Open Access Journals (Sweden)

    Evgenya I. Smirnova

    2005-09-01

    Full Text Available We present the detailed description of the successful design and cold test of photonic band gap (PBG resonators and traveling-wave accelerator structures. Those tests provided the essential basis for later hot test demonstration of the first PBG accelerator structure at 17.140 GHz [E. I. Smirnova, A. S. Kesar, I. Mastovsky, M. A. Shapiro, and R. J. Temkin, Phys. Rev. Lett., 95, 074801 (2005.PRLTAO0031-900710.1103/PhysRevLett.95.074801]. The advantage of PBG resonators is that they were built to support only the main, TM_{01}-like, accelerator mode while not confining the higher-order modes (HOM or wakefields. The design of the PBG resonators was based on a triangular lattice of rods, with a missing rod at the center. Following theoretical analysis, the rod radius divided by the rod spacing was held to a value of about 0.15 to avoid supporting HOM. For a single-cell test the PBG structure was fabricated in X-band (11 GHz and brazed. The mode spectrum and Q factor (Q=5 000 agreed well with theory. Excellent HOM suppression was evident from the cold test. A six-cell copper PBG accelerator traveling-wave structure with reduced long-range wakefields was designed and was built by electroforming at Ku-band (17.140 GHz. The structure was tuned by etching the rods. Cold test of the structure yielded excellent agreement with the theoretical design. Successful results of the hot test of the structure demonstrating the acceleration of the electron beam were published in E. I. Smirnova, A. S. Kesar, I. Mastovsky, M. A. Shapiro, and R. J. Temkin, Phys. Rev. Lett., 95, 074801 (2005.PRLTAO0031-900710.1103/PhysRevLett.95.074801

  5. Largely enhanced near band edge emission of ultrathin zinc oxide nanowire/gold nanoparticles composites by surface plasmon resonance

    Science.gov (United States)

    Li, Lei; Wang, Chenying; Han, Feng; Yang, Shuming; Jing, Weixuan; Jiang, Zhuangde

    2018-03-01

    Ultrathin zinc oxide nanowires with diameter less than 50 nm were synthesized by polyethyleneimine assisted solution method. Zinc oxide nanowire near band edge emission was enhanced obviously by gold nanoparticles coating, and a max 26 times enhancement was realized. The defects caused visible light emission was also quenched to noise level when gold was deposited more than 10 s. The large near band edge emission enhancement was caused by surface plasmon resonance mediated luminescent energy transfer, which absorbed the visible light energy and transferred to the near band edge emission. The large surface to volume ratio enhanced the coupling strength between gold nanoparticles and ultrathin zinc oxide nanowires. This research provide a method to improve the luminescent efficiency of zinc oxide nanowires.

  6. A Ku-band magnetically insulated transmission line oscillator with overmoded slow-wave-structure

    Science.gov (United States)

    Jiang, Tao; He, Jun-Tao; Zhang, Jian-De; Li, Zhi-Qiang; Ling, Jun-Pu

    2016-12-01

    In order to enhance the power capacity, an improved Ku-band magnetically insulated transmission line oscillator (MILO) with overmoded slow-wave-structure (SWS) is proposed and investigated numerically and experimentally. The analysis of the dispersion relationship and the resonant curve of the cold test indicate that the device can operate at the near π mode of the TM01 mode, which is useful for mode selection and control. In the particle simulation, the improved Ku-band MILO generates a microwave with a power of 1.5 GW and a frequency of 12.3 GHz under an input voltage of 480 kV and input current of 42 kA. Finally, experimental investigation of the improved Ku-band MILO is carried out. A high-power microwave (HPM) with an average power of 800 MW, a frequency of 12.35 GHz, and pulse width of 35 ns is generated under a diode voltage of 500 kV and beam current of 43 kA. The consistency between the experimental and simulated far-field radiation pattern confirms that the operating mode of the improved Ku-band MILO is well controlled in π mode of the TM01 mode. Project supported partly by the National Natural Science Foundation of China (Grant No. 61171021).

  7. Extracting E versus k⃗ effective band structure from supercell calculations on alloys and impurities

    Science.gov (United States)

    Popescu, Voicu; Zunger, Alex

    2012-02-01

    The supercell approach to defects and alloys has circumvented the limitations of those methods that insist on using artificially high symmetry, yet this step usually comes at the cost of abandoning the language of E versus k⃗ band dispersion. Here we describe a computational method that maps the energy eigenvalues obtained from large supercell calculations into an effective band structure (EBS) and recovers an approximate E(k⃗) for alloys. Making use of supercells allows one to model a random alloy A1-xBxC by occupying the sites A and B via a coin-toss procedure, affording many different local environments (polymorphic description) to occur. We present the formalism and implementation details of the method and apply it to study the evolution of the impurity band appearing in the dilute GaN:P alloy. We go beyond the perfectly random case, realizing that many alloys may have nonrandom microstructures, and investigate how their formation is reflected in the EBS. It turns out that the EBS is extremely sensitive in determining the critical disorder level for which delocalized states start to appear in the intermediate band. In addition, the EBS allows us to identify the role played by atomic relaxation in the positioning of the impurity levels.

  8. The Westerbork HI survey of spiral and irregular galaxies - II. R-band surface photometry of late-type dwarf galaxies

    NARCIS (Netherlands)

    Swaters, RA; Balcells, M

    R-band surface photometry is presented for 171 late-type dwarf and irregular galaxies. For a subsample of 46 galaxies B-band photometry is presented as well. We present surface brightness profiles as well as isophotal and photometric parameters including magnitudes, diameters and central surface

  9. Surface and mineral structure of ferrihydrite

    NARCIS (Netherlands)

    Hiemstra, T.

    2013-01-01

    Ferrihydrite (Fh) is an yet enigmatic nano Fe(III)-oxide material, omnipresent in nature that can bind ions in large quantities, regulating bioavailability and ion mobility. Although extensively studied, to date no proper view exists on the surface structure and composition, while it is of vital

  10. Melamine structures on the Au(111) surface

    NARCIS (Netherlands)

    Silly, Fabien; Shaw, Adam Q.; Castell, Martin R.; Briggs, G. A. D.; Mura, Manuela; Martsinovich, Natalia; Kantorovich, Lev

    2008-01-01

    We report on a joint experimental and theoretical study of the ordered structures of melamine molecules formed on the Au(111)-(22 x root 3) surface. Scanning tunneling microscopy (STM) images taken under UHV conditions reveal two distinct monolayers one of which has never been reported before on

  11. Single crystal surface structure by bragg scattering

    DEFF Research Database (Denmark)

    Nielsen, Mogens

    1985-01-01

    X-ray diffraction is becoming an important tool in the measurements of surface structures. Single crystalline samples are used as in Low Energy Electron Diffraction (LEED)-studies. The X-ray technique is somewhat more involved due to the need of bright, collimated photon sources, in general...

  12. Inferring Land Surface Model Parameters for the Assimilation of Satellite-Based L-Band Brightness Temperature Observations into a Soil Moisture Analysis System

    Science.gov (United States)

    Reichle, Rolf H.; De Lannoy, Gabrielle J. M.

    2012-01-01

    The Soil Moisture and Ocean Salinity (SMOS) satellite mission provides global measurements of L-band brightness temperatures at horizontal and vertical polarization and a variety of incidence angles that are sensitive to moisture and temperature conditions in the top few centimeters of the soil. These L-band observations can therefore be assimilated into a land surface model to obtain surface and root zone soil moisture estimates. As part of the observation operator, such an assimilation system requires a radiative transfer model (RTM) that converts geophysical fields (including soil moisture and soil temperature) into modeled L-band brightness temperatures. At the global scale, the RTM parameters and the climatological soil moisture conditions are still poorly known. Using look-up tables from the literature to estimate the RTM parameters usually results in modeled L-band brightness temperatures that are strongly biased against the SMOS observations, with biases varying regionally and seasonally. Such biases must be addressed within the land data assimilation system. In this presentation, the estimation of the RTM parameters is discussed for the NASA GEOS-5 land data assimilation system, which is based on the ensemble Kalman filter (EnKF) and the Catchment land surface model. In the GEOS-5 land data assimilation system, soil moisture and brightness temperature biases are addressed in three stages. First, the global soil properties and soil hydraulic parameters that are used in the Catchment model were revised to minimize the bias in the modeled soil moisture, as verified against available in situ soil moisture measurements. Second, key parameters of the "tau-omega" RTM were calibrated prior to data assimilation using an objective function that minimizes the climatological differences between the modeled L-band brightness temperatures and the corresponding SMOS observations. Calibrated parameters include soil roughness parameters, vegetation structure parameters

  13. Observation of Wakefield Suppression in a Photonic-Band-Gap Accelerator Structure

    Science.gov (United States)

    Simakov, Evgenya I.; Arsenyev, Sergey A.; Buechler, Cynthia E.; Edwards, Randall L.; Romero, William P.; Conde, Manoel; Ha, Gwanghui; Power, John G.; Wisniewski, Eric E.; Jing, Chunguang

    2016-02-01

    We report experimental observation of higher order mode (HOM) wakefield suppression in a room-temperature traveling-wave photonic-band-gap (PBG) accelerating structure at 11.700 GHz. It has been long recognized that PBG structures have the potential for reducing long-range wakefields in accelerators. The first ever demonstration of acceleration in a room-temperature PBG structure was conducted in 2005. Since then, the importance of PBG accelerator research has been recognized by many institutions. However, the full experimental characterization of the wakefield spectrum and demonstration of wakefield suppression when the accelerating structure is excited by an electron beam has not been performed to date. We conducted an experiment at the Argonne Wakefield Accelerator test facility and observed wakefields excited by a single high charge electron bunch when it passes through a PBG accelerator structure. Excellent HOM suppression properties of the PBG accelerator were demonstrated in the beam test.

  14. A wave-bending structure at Ka-band using 3D-printed metamaterial

    Science.gov (United States)

    Wu, Junqiang; Liang, Min; Xin, Hao

    2018-03-01

    Three-dimensional printing technologies enable metamaterials of complex structures with arbitrary inhomogeneity. In this work, a 90° wave-bending structure at the Ka-band (26.5-40 GHz) based on 3D-printed metamaterials is designed, fabricated, and measured. The wave-bending effect is realized through a spatial distribution of varied effective dielectric constants. Based on the effective medium theory, different effective dielectric constants are accomplished by special, 3D-printable unit cells, which allow different ratios of dielectric to air at the unit cell level. In contrast to traditional, metallic-structure-included metamaterial designs, the reported wave-bending structure here is all dielectric and implemented by the polymer-jetting technique, which features rapid, low-cost, and convenient prototyping. Both simulation and experiment results demonstrate the effectiveness of the wave-bending structure.

  15. Band structure and thermoelectric properties of half-Heusler semiconductors from many-body perturbation theory

    Science.gov (United States)

    Zahedifar, Maedeh; Kratzer, Peter

    2018-01-01

    Various ab initio approaches to the band structure of A NiSn and A CoSb half-Heusler compounds (A = Ti, Zr, Hf) are compared and their consequences for the prediction of thermoelectric properties are explored. Density functional theory with the generalized-gradient approximation (GGA), as well as the hybrid density functional HSE06 and ab initio many-body perturbation theory in the form of the G W0 approach, are employed. The G W0 calculations confirm the trend of a smaller band gap (0.75 to 1.05 eV) in A NiSn compared to the A CoSb compounds (1.13 to 1.44 eV) already expected from the GGA calculations. While in A NiSn materials the G W0 band gap is 20% to 50% larger than in HSE06, the fundamental gap of A CoSb materials is smaller in G W0 compared to HSE06. This is because G W0 , similar to PBE, locates the valence band maximum at the L point of the Brillouin zone, whereas it is at the Γ point in the HSE06 calculations. The differences are attributed to the observation that the relative positions of the d levels of the transition metal atoms vary among the different methods. Using the calculated band structures and scattering rates taking into account the band effective masses at the extrema, the Seebeck coefficients, thermoelectric power factors, and figures of merit Z T are predicted for all six half-Heusler compounds. Comparable performance is predicted for the n -type A NiSn materials, whereas clear differences are found for the p -type A CoSb materials. Using the most reliable G W0 electronic structure, ZrCoSb is predicted to be the most efficient material with a power factor of up to 0.07 W/(K2 m) at a temperature of 600 K. We find strong variations among the different ab initio methods not only in the prediction of the maximum power factor and Z T value of a given material, but also in comparing different materials to each other, in particular in the p -type thermoelectric materials. Thus we conclude that the most elaborate, but also most costly G W0

  16. Band structure calculation of GaSe-based nanostructures using empirical pseudopotential method

    International Nuclear Information System (INIS)

    Osadchy, A V; Obraztsova, E D; Volotovskiy, S G; Golovashkin, D L; Savin, V V

    2016-01-01

    In this paper we present the results of band structure computer simulation of GaSe- based nanostructures using the empirical pseudopotential method. Calculations were performed using a specially developed software that allows performing simulations using cluster computing. Application of this method significantly reduces the demands on computing resources compared to traditional approaches based on ab-initio techniques and provides receiving the adequate comparable results. The use of cluster computing allows to obtain information for structures that require an explicit account of a significant number of atoms, such as quantum dots and quantum pillars. (paper)

  17. 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.

  18. Ab initio electronic band structure calculation of InP in the wurtzite phase

    Science.gov (United States)

    Dacal, Luis C. O.; Cantarero, Andrés

    2011-05-01

    We present ab initio calculations of the InP band structure in the wurtzite phase and compare it with that of the zincblende phase. In both calculations, we use the full potential linearized augmented plane wave method as implemented in the WIEN2k code and the modified Becke-Johnson exchange potential, which provides an improved value of the bandgap. The structural optimization of the wurtizte InP gives a=0.4150 nm, c=0.6912 nm, and an internal parameter u=0.371, showing the existence of a spontaneous polarization along the growth axis. As compared to the ideal wurtzite structure (that with the lattice parameter derived from the zincblende structure calculations), the actual wurtzite structure is compressed (-1.3%) in plane and expanded (0.7%) along the c-direction. The value of the calculated band gaps agrees well with recent optical experiments. The calculations are also consistent with the optical transitions found using polarized light.

  19. Photonic band gap structure for a ferroelectric photonic crystal at microwave frequencies.

    Science.gov (United States)

    King, Tzu-Chyang; Chen, De-Xin; Lin, Wei-Cheng; Wu, Chien-Jang

    2015-10-10

    In this work, the photonic band gap (PBG) structure in a one-dimensional ferroelectric photonic crystal (PC) is theoretically investigated. We consider a PC, air/(AB)N/air, in which layer A is a dielectric of MgO and layer B is taken to be a ferroelectric of Ba0.55Sr0.45TiO3 (BSTO). With an extremely high value in the dielectric constant in BSTO, the calculated photonic band structure at microwave frequencies exhibits some interesting features that are significantly different from those in a usual dielectric-dielectric PC. First, the photonic transmission band consists of multiple and nearly discrete transmission peaks. Second, the calculated bandwidth of the PBG is nearly unchanged as the angle of incidence varies in the TE wave. The bandwidth will slightly reduce for the TM mode. Thus, a wide omnidirectional PBG can be obtained. Additionally, the effect of the thickness of the ferroelectric layer on the PBG is much more pronounced compared to the dielectric layer thickness. That is, the increase of ferroelectric thickness can significantly decrease the PBG bandwidth.

  20. Reply to ``Comment on `Band structure engineering of graphene by strain: First-principles calculations' ''

    Science.gov (United States)

    Gui, Gui; Li, Jin; Zhong, Jianxin

    2009-10-01

    We reply to the Comment by Farjam and Rafii-Tabar [Phys. Rev. B 80, 167401 (2009)] on our paper [Phys. Rev. B 78, 075435 (2008)]. We show that the gap opening found in our paper is due to the use of a small number of k points in the calculation which prevents revealing the sharp contact of the two bands near K or R . Once a large number of k points is used, the density-functional theory (DFT) VASP codes give the same conclusion as obtained by Farjam and Rafii-Tabar by using the QUANTUM-ESPRESSO codes, namely, there is no gap opening in the band structure of graphene under small planar strain. We also point out that all other results in our paper remain correct, except for the conclusion of the gap opening. The results demonstrate the importance of using a large number of k points for determining the gap width of the band structure of graphene under strain as well as the validity of the DFT VASP codes for the system.

  1. Tunable mechanical monolithic sensors for large band low frequency monitoring and characterization of sites and structures

    Science.gov (United States)

    Barone, F.; Giordano, G.; Acernese, F.; Romano, R.

    2016-10-01

    Among the different mechanical architectures present in literature, the Watts linkage is one of the most promising ones for the implementation of a new class of mechanical accelerometers (horizontal, vertical and angular). In this paper, we present monolithic implementations of uniaxial and triaxial mechanical seismometers and accelerometers based on the UNISA Folded Pendulum mechanical configuration, optimized for low frequency characterization of sites (including underground sites) and structures as inertial sensor (seismometer). This mechanical architecture allows the design and implementation of very large band monolithic sensors (10-7Hz 102 Hz), whose sensitivities for the most common applications are defined by the noise introduced by their readouts (e.g. ¡ 10-12 m/sqrt(Hz) with classical LVDT readouts). These unique features, coupled other relevant properties like scalability, compactness, lightness, high directivity, frequency tunability (typical resonance frequencies in the band 10-1 Hz 102 Hz), very high immunity to environmental noises and low cost make this class of sensors very effective for the implementation of uniaxial (horizontal and/or vertical) and triaxial seismometers and accelerometers for ground, space and underwater applications, including UHV and cryogenics ones. Typical applications of this class of monolithic sensors are in the field of earthquake engineering, seismology, geophysics, civil engineering, characterization of sites (including underground sites), structures (e.g. buildings, bridges, historical monuments), and, in general, in all applications requiring large band-low frequency performances coupled with high sensitivities and compactness.

  2. Error sources in the retrieval of aerosol information over bright surfaces from satellite measurements in the oxygen A band

    Science.gov (United States)

    Nanda, Swadhin; de Graaf, Martin; Sneep, Maarten; de Haan, Johan F.; Stammes, Piet; Sanders, Abram F. J.; Tuinder, Olaf; Pepijn Veefkind, J.; Levelt, Pieternel F.

    2018-01-01

    Retrieving aerosol optical thickness and aerosol layer height over a bright surface from measured top-of-atmosphere reflectance spectrum in the oxygen A band is known to be challenging, often resulting in large errors. In certain atmospheric conditions and viewing geometries, a loss of sensitivity to aerosol optical thickness has been reported in the literature. This loss of sensitivity has been attributed to a phenomenon known as critical surface albedo regime, which is a range of surface albedos for which the top-of-atmosphere reflectance has minimal sensitivity to aerosol optical thickness. This paper extends the concept of critical surface albedo for aerosol layer height retrievals in the oxygen A band, and discusses its implications. The underlying physics are introduced by analysing the top-of-atmosphere reflectance spectrum as a sum of atmospheric path contribution and surface contribution, obtained using a radiative transfer model. Furthermore, error analysis of an aerosol layer height retrieval algorithm is conducted over dark and bright surfaces to show the dependence on surface reflectance. The analysis shows that the derivative with respect to aerosol layer height of the atmospheric path contribution to the top-of-atmosphere reflectance is opposite in sign to that of the surface contribution - an increase in surface brightness results in a decrease in information content. In the case of aerosol optical thickness, these derivatives are anti-correlated, leading to large retrieval errors in high surface albedo regimes. The consequence of this anti-correlation is demonstrated with measured spectra in the oxygen A band from the GOME-2 instrument on board the Metop-A satellite over the 2010 Russian wildfires incident.

  3. Surface structure of oriented PET films

    CERN Document Server

    Kirov, K

    2001-01-01

    crystallinity and the level of molecular orientation of the polymer are highest at the film surface and gradually decrease away from it. The same trend for an increase in structural order nearer the film surface was observed in a series of PET films drawn uniaxially in laboratory conditions. The observed strong dependence of stratification in the oriented films on drawing ratio, lead to the conclusion, that the structural gradients arise as a result of viscous flow. The molecular mechanism of stratification is discussed and leads to the idea of enhanced chain mobility at the PET film surface. The idea is in line with recent studies showing a depression of the glass transition temperature of free polymer surfaces. In addition, the results on structure formation in PET films during drawing, give support to the existing view that polymer crystallisation is assisted by a spinodal-decomposition nucleation process. Polymer films are widely used as substrates in nano-composite materials and therefore have to possess...

  4. Effects of surface treatment using aqua regia solution on the change of surface band bending of p-type GaN

    Science.gov (United States)

    Kim, Jong Kyu; Kim, Ki-Jeong; Kim, Bongsoo; Kim, Jae Nam; Kwak, Joon Seop; Park, Yong Jo; Lee, Jong-Lam

    2001-03-01

    Effects of surface treatment on the change of band bending at the surface of p-type GaN were studied using synchrotron radiation photoemission spectroscopy, and the results were used to interpret the reduction of contact resistivity by the surface treatment. The contact resistivity on p-type GaN decreased from (5.1±1.2)×10-1 to (9.3±3.5)×10-5Ω cm2 by the surface treatment using aqua regia prior to Pt deposition. Surface band bending was reduced by 0.58 eV and 0.87 eV after the surface treatments by HCl and aqua regia solutions, respectively. The atomic ratio of Ga/N decreased as the photoelectron detection angle was decreased, indicating that the surface oxide was mainly composed of Ga and O, GaOx, formed during high-temperature annealing for the generation of holes, and Ga vacancies, VGa, were produced below the GaOx layer. Consequently, the aqua regia treatment plays a role in removing GaOx formed on p-type GaN, leading to the shift of the Fermi level toward the energy levels of VGa located near the valence band edge. This causes the decrease of barrier height for the transport of holes, resulting in the good ohmic contacts to p-type GaN.

  5. Periodic dielectric structure for production of photonic band gap and method for fabricating the same

    Science.gov (United States)

    Ozbay, Ekmel; Tuttle, Gary; Michel, Erick; Ho, Kai-Ming; Biswas, Rana; Chan, Che-Ting; Soukoulis, Costas

    1995-01-01

    A method for fabricating a periodic dielectric structure which exhibits a photonic band gap. Alignment holes are formed in a wafer of dielectric material having a given crystal orientation. A planar layer of elongate rods is then formed in a section of the wafer. The formation of the rods includes the step of selectively removing the dielectric material of the wafer between the rods. The formation of alignment holes and layers of elongate rods and wafers is then repeated to form a plurality of patterned wafers. A stack of patterned wafers is then formed by rotating each successive wafer with respect to the next-previous wafer, and then placing the successive wafer on the stack. This stacking results in a stack of patterned wafers having a four-layer periodicity exhibiting a photonic band gap.

  6. Investigation of the Band Structure of Graphene-Based Plasmonic Photonic Crystals.

    Science.gov (United States)

    Qiu, Pingping; Qiu, Weibin; Lin, Zhili; Chen, Houbo; Tang, Yixin; Wang, Jia-Xian; Kan, Qiang; Pan, Jiao-Qing

    2016-09-09

    In this paper, one-dimensional (1D) and two-dimensional (2D) graphene-based plasmonic photonic crystals (PhCs) are proposed. The band structures and density of states (DOS) have been numerically investigated. Photonic band gaps (PBGs) are found in both 1D and 2D PhCs. Meanwhile, graphene-based plasmonic PhC nanocavity with resonant frequency around 175 THz, is realized by introducing point defect, where the chemical potential is from 0.085 to 0.25 eV, in a 2D PhC. Also, the bending wvaguide and the beam splitter are realized by introducing the line defect into the 2D PhC.

  7. Development of small C-band standing-wave accelerator structure

    International Nuclear Information System (INIS)

    Miura, S.; Takahashi, A.; Hisanaga, N.; Sekido, H.; Yoshizumi, A.

    2000-01-01

    We have newly developed a compact C-band (5712 MHz) standing-wave accelerator for the medical product/waste sterilization applications. The accelerator consists of an electron gun operating at 25 kV DC followed by a single-cell pre-buncher and 3-cell buncher section, and 11-cell of the side-coupled standing-wave accelerating structure. The total length including the electron gun is about 600 mm. The first high-power test was performed in March 2000, where the accelerator successively generated the electron beam of 9 MeV energy and 160 mA peak-current at 3.8 MW RF input power. Mitsubishi Heavy Industry starts to serve the sterilization systems using C-band accelerator reported here, and also supplies the accelerator components for the medical oncology applications. (author)

  8. Band gap widening and quantum tunnelling effects of Ag/MgO/p-Si MOS structure

    Science.gov (United States)

    Kamarulzaman, Norlida; Badar, Nurhanna; Fadilah Chayed, Nor; Firdaus Kasim, Muhd

    2016-10-01

    MgO films of various thicknesses were fabricated via the pulsed laser deposition method. The MgO thin films obtained have the advantage of high quality mirror finish, good densification and of uniform thickness. The MgO thin films have thicknesses of between 43 to 103 nm. They are polycrystalline in nature with oriented growth mainly in the direction of the [200] and [220] crystal planes. It is observed that the band gap of the thin films increases as the thickness decreases due to quantum effects, however, turn-on voltage has the opposite effect. The decrease of the turn-on as well as the tunnelling voltage of the thinner films, despite their larger band gap, is a direct experimental evidence of quantum tunnelling effects in the thin films. This proves that quantum tunnelling is more prominent in low dimensional structures.

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

    Energy Technology Data Exchange (ETDEWEB)

    Luna-Acosta, G A [Instituto de Fisica, BUAP Apartado Postal J-48, 72570 Puebla (Mexico); Schanze, H; Kuhl, U; Stoeckmann, H-J [Fachbereich Physik der Philipps-Universitaet Marburg, Renthof 5, D-35032 (Germany)], E-mail: gluna@sirio.ifuap.buap.mx

    2008-04-15

    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.

  10. 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).

  11. Sound waves induce Volkov-like states, band structure and collimation effect in graphene

    Science.gov (United States)

    Oliva-Leyva, M.; Naumis, Gerardo G.

    2016-01-01

    We find exact states of graphene quasiparticles under a time-dependent deformation (sound wave), whose propagation velocity is smaller than the Fermi velocity. To solve the corresponding effective Dirac equation, we adapt the Volkov-like solutions for relativistic fermions in a medium under a plane electromagnetic wave. The corresponding electron-deformation quasiparticle spectrum is determined by the solutions of a Mathieu equation resulting in band tongues warped in the surface of the Dirac cones. This leads to a collimation effect of electron conduction due to strain waves.

  12. Sound waves induce Volkov-like states, band structure and collimation effect in graphene.

    Science.gov (United States)

    Oliva-Leyva, M; Naumis, Gerardo G

    2016-01-20

    We find exact states of graphene quasiparticles under a time-dependent deformation (sound wave), whose propagation velocity is smaller than the Fermi velocity. To solve the corresponding effective Dirac equation, we adapt the Volkov-like solutions for relativistic fermions in a medium under a plane electromagnetic wave. The corresponding electron-deformation quasiparticle spectrum is determined by the solutions of a Mathieu equation resulting in band tongues warped in the surface of the Dirac cones. This leads to a collimation effect of electron conduction due to strain waves.

  13. Dual-band infrared imaging to detect corrosion damage within airframes and concrete structures

    Energy Technology Data Exchange (ETDEWEB)

    Del Grande, N.K.; Durbin, P.F.

    1994-01-01

    We are developing dual-band infrared (DBIR) imaging and detection techniques to inspect air frames and concrete bridge decks for hidden corrosion damage. Using selective DBIR image ratios,, we enhanced surface temperature contrast and removed surface emissivity noise associated with clutter. Our surface temperature maps depicted defect sites, which heat and cool at different rates than their surroundings. Our emissivity-ratio maps tagged and removed the masking effects of surface clutter. For airframe inspections, we used time-resolved DBIR temperature, emissivity-ratio and composite thermal inertia maps to locate corrosion-thinning effects within a flash-heated Boeing 737 airframe. Emissivity-ratio maps tagged and removed clutter sites from uneven paint, dirt and surface markers. Temperature and thermal inertia maps characterized defect sites, types, sizes, thicknesses, thermal properties and material-loss effects from air frame corrosion. For concrete inspections, we mapped DBIR temperature and emissivity-ratio patterns to better interpret surrogate delamination sites within naturally-heated, concrete slabs and remove the clutter mask from sand pile-up, grease stains, rocks and other surface objects.

  14. Structurally tuned iridescent surfaces inspired by nature

    International Nuclear Information System (INIS)

    Deparis, Olivier; Rassart, Marie; Vandenbem, Cedric; Welch, Victoria; Vigneron, Jean Pol; Lucas, Stephane

    2008-01-01

    Iridescent surfaces exhibit vivid colours which change with the angle of incidence or viewing due to optical wave interference in the multilayer structure present at the wavelength scale underneath the surface. In nature, one can find examples of iridescent Coleoptera for which the hue changes either greatly or slightly with the angle. Because these species typically make these structures from a single biological material (usually chitin) and air or water as the low refractive index component, they have evolved by adjusting the layer thicknesses in order to display quite different iridescent aspects. Taking inspiration from this proven strategy, we have designed and fabricated periodic TiO 2 /SiO 2 multilayer films in order to demonstrate the concept of structurally tuned iridescent surfaces. Titanium or silicon oxide layers were deposited on a glass substrate using dc reactive or RF magnetron sputtering techniques, respectively. Two structures were designed for which the period and the TiO 2 /SiO 2 layer thickness ratio were varied in such a way that the films displayed radically different iridescent aspects: a reddish-to-greenish changing hue and a stable bluish hue. The fabricated samples were characterized through specular reflectance/transmittance measurements. Modelling of transmittance spectra using standard multilayer film theory confirmed the high quality of the twelve-period Bragg reflectors. The chromaticity coordinates, which were calculated from measured reflectance spectra taken at different angles, were in accordance with theoretical predictions

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

    Energy Technology Data Exchange (ETDEWEB)

    Othman, Mohamed A. K.; Veysi, Mehdi; Capolino, Filippo [Department of Electrical Engineering and Computer Science, University of California, Irvine, California 92697 (United States); Figotin, Alexander [Department of Mathematics, University of California, Irvine, California 92697 (United States)

    2016-03-15

    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.

  16. 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.

  17. 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.

  18. Electron band bending and surface sensitivity: X-ray photoelectron spectroscopy of polar GaN surfaces

    Czech Academy of Sciences Publication Activity Database

    Bartoš, Igor; Romanyuk, Olexandr; Paskova, T.; Jiříček, Petr

    2017-01-01

    Roč. 664, Oct (2017), s. 241-245 ISSN 0039-6028 R&D Projects: GA ČR(CZ) GBP108/12/G108; GA MŠk LM2015088 Institutional support: RVO:68378271 Keywords : GaN * XPS * band banding Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.062, year: 2016

  19. Quasiparticle self-consistent GW calculations for PbS, PbSe, and PbTe: Band structure and pressure coefficients

    DEFF Research Database (Denmark)

    Svane, Axel; Christensen, Niels Egede; Cardona,, M.

    2010-01-01

    The electronic band structures of PbS, PbSe, and PbTe in the rocksalt structure are calculated with the quasiparticle self-consistent GW (QSGW) approach with spin-orbit coupling included. The semiconducting gaps and their deformation potentials as well as the effective masses are obtained. The GW...... approximation provides a correct description of the electronic structure around the gap, in contrast to the local-density approximation, which leads to inverted gaps in the lead chalcogenides. The QSGW calculations are in good quantitative agreement with experimental values of the gaps and masses. At moderate...... hole doping a complex filamental Fermi-surface structure develops with ensuing large density of states. The pressure-induced gap closure leads to linear (Dirac-type) band dispersions around the L point....

  20. Computing the band structure and energy gap of penta-graphene by using DFT and G0W0 approximations

    OpenAIRE

    Einollahzadeh, H.; Dariani, R. S.; Fazeli, S. M.

    2015-01-01

    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, about Fermi energy.

  1. Effect of superconductivity on the cubic to tetragonal structural transition due to a two-fold degenerate electronic band

    International Nuclear Information System (INIS)

    Ghatak, S.K.; Khanra, B.C.; Ray, D.K.

    1978-01-01

    The effect of the BCS superconductivity on the cubic to tetragonal structural transition arising from a two-fold degenerate electronic band is investigated within the mean field approximation. The phase diagram of the two transitions is given for a half filled esub(g)-band. Modification of the two transitions when they are close together is also discussed. (author)

  2. Numerical and Experimental Investigation of Stop-Bands in Finite and Infinite Periodic One-Dimensional Structures

    DEFF Research Database (Denmark)

    Domadiya, Parthkumar Gandalal; Manconi, Elisabetta; Vanali, Marcello

    2016-01-01

    structure. Numerical examples are presented, and results are discussed and validated experimentally. Very good agreement between the numerical and experimental models in terms of stop-bands is shown. In particular, the results show that the stop-bands obtained using a wave approach (applied to a single cell...

  3. Band-gap-confinement and image-state-recapture effects in the survival of anions scattered from metal surfaces

    International Nuclear Information System (INIS)

    Schmitz, Andrew; Shaw, John; Chakraborty, Himadri S.; Thumm, Uwe

    2010-01-01

    The resonant charge transfer process in the collision of hydrogen anions with metal surfaces is described within a single-active-electron wave-packet propagation method. The ion-survival probability is found to be strongly enhanced at two different surface-specific perpendicular velocities of the ion. It is shown that, while the low-velocity enhancement is induced from a dynamical confinement of the ion level inside the band gap, the high-velocity enhancement is due to electron recapture from transiently populated image states. Results are presented for Li(110), Cu(111), and Pd(111) surfaces.

  4. Design of LD in-band direct-pumping side surface polished micro-rod Nd:YVO4 laser

    International Nuclear Information System (INIS)

    Zhang Wen-Qi; Wang Fei; Liu Qiang; Gong Ma-Li

    2016-01-01

    To diminish the thermal load, two ways, that is, in-band direct pumping and micro-rod crystal, could be adopted at the same time. The efficiency of LD in-band direct-pumping side surface polished micro-rod Nd:YVO 4 laser is numerically analyzed. By optimizing parameters such as crystal length, laser mode radius, pump beam radius, doping concentration and crystal cross-section size, the overall efficiency can reach over 50%. It is found that with micro-rod crystal implemented in the laser oscillator, high overall efficiency LD in-band direct-pumping Nd:YVO 4 laser could be realized. High efficiency combined with low thermal load makes this laser an outstanding scheme for building high-power Nd:YVO 4 lasers. (paper)

  5. Airborne Measurements of Rain and the Ocean Surface Backscatter Response at C- and Ku-band

    National Research Council Canada - National Science Library

    Fernandez, Daniel E; Chang, Paul S; Carswell, James R; Contreras, Robert F; Frasier, Stephen J

    2005-01-01

    ...) and the Simultaneous Frequency Microwave Radiometer (SFMR). IWRAP is a dual-band (C- and Ku), dual-polarized pencilbeam airborne radar that profiles the volume backscatter and Doppler velocity from rain and that also measures the ocean backscatter response...

  6. Banded structures in electron pitch angle diffusion coefficients from resonant wave-particle interactions

    Energy Technology Data Exchange (ETDEWEB)

    Tripathi, A. K., E-mail: aktrip2001@yahoo.co.in; Singhal, R. P., E-mail: rpsiitbhu@yahoo.com [Department of Physics, Indian Institute of Technology (Banaras Hindu University), Varanasi, Uttar Pradesh (India); Khazanov, G. V., E-mail: George.V.Khazanov@nasa.gov [NASA Goddard Space Flight Center, Greenbelt, Maryland 20771 (United States); Avanov, L. A., E-mail: levon.a.avanov@nasa.gov [NASA Goddard Space Flight Center, Greenbelt, Maryland 20771 (United States); Department of Astronomy, University of Maryland, College Park, Maryland 20742 (United States)

    2016-04-15

    Electron pitch angle (D{sub αα}) and momentum (D{sub pp}) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L = 4.6 and 6.8 for electron energies ≤10 keV. Landau (n = 0) resonance and cyclotron harmonic resonances n = ±1, ±2, … ±5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (α) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n = +1 and n = +2. A major contribution to momentum diffusion coefficients appears from n = +2. However, the banded structures in D{sub αα} and D{sub pp} coefficients appear only in the profile of diffusion coefficients for n = +2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The D{sub pp} diffusion coefficient for ECH waves is one to two orders smaller than D{sub αα} coefficients. For chorus waves, D{sub pp} coefficients are about an order of magnitude smaller than D{sub αα} coefficients for the case n ≠ 0. In case of Landau resonance, the values of D{sub pp} coefficient are generally larger than the values of D{sub αα} coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89° and harmonic resonances n = +1, +2, and +3

  7. Study of the structure of yrast bands of neutron-rich 114-124Pd isotopes

    Science.gov (United States)

    Chaudhary, Ritu; Devi, Rani; Khosa, S. K.

    2018-02-01

    The projected shell model calculations have been carried out in the neutron-rich 114-124Pd isotopic mass chain. The results have been obtained for the deformation systematics of E(2+1) and E(4+1)/E({2}+1) values, BCS subshell occupation numbers, yrast spectra, backbending phenomena, B( E2) transition probabilities and g-factors in these nuclei. The observed systematics of E(2+1) values and R_{42} ratios in the 114-124Pd isotopic mass chain indicate that there is a decrease of collectivity as the neutron number increases from 68 to 78. The occurrence of backbending in these nuclei as well as the changes in the calculated B( E2) transition probabilities and g -factors predict that there are changes in the structure of yrast bands in these nuclei. These changes occur at the spin where there is crossing of g-band by 2-qp bands. The predicted backbendings and predicted values of B( E2)s and g-factors in some of the isotopes need to be confirmed experimentally.

  8. Lamé polynomials, hyperelliptic reductions and Lamé band structure.

    Science.gov (United States)

    Maier, Robert S

    2008-03-28

    The band structure of the Lamé equation, viewed as a one-dimensional Schrödinger equation with a periodic potential, is studied. At integer values of the degree parameter l, the dispersion relation is reduced to the l=1 dispersion relation, and a previously published l=2 dispersion relation is shown to be partly incorrect. The Hermite-Krichever Ansatz, which expresses Lamé equation solutions in terms of l=1 solutions, is the chief tool. It is based on a projection from a genus-l hyperelliptic curve, which parametrizes solutions, to an elliptic curve. A general formula for this covering is derived, and is used to reduce certain hyperelliptic integrals to elliptic ones. Degeneracies between band edges, which can occur if the Lamé equation parameters take complex values, are investigated. If the Lamé equation is viewed as a differential equation on an elliptic curve, a formula is conjectured for the number of points in elliptic moduli space (elliptic curve parameter space) at which degeneracies occur. Tables of spectral polynomials and Lamé polynomials, i.e. band-edge solutions, are given. A table in the earlier literature is corrected.

  9. 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.

  10. Microscopic bosonization of band structures: x-ray processes beyond the Fermi edge

    Science.gov (United States)

    Snyman, Izak; Florens, Serge

    2017-11-01

    Bosonization provides a powerful analytical framework to deal with one-dimensional strongly interacting fermion systems, which makes it a cornerstone in quantum many-body theory. However, this success comes at the expense of using effective infrared parameters, and restricting the description to low energy states near the Fermi level. We propose a radical extension of the bosonization technique that overcomes both limitations, allowing computations with microscopic lattice Hamiltonians, from the Fermi level down to the bottom of the band. The formalism rests on the simple idea of representating the fermion kinetic term in the energy domain, after which it can be expressed in terms of free bosonic degrees of freedom. As a result, one- and two-body fermionic scattering processes generate anharmonic boson-boson interactions, even in the forward channel. We show that up to moderate interaction strengths, these non-linearities can be treated analytically at all energy scales, using the x-ray emission problem as a showcase. In the strong interaction regime, we employ a systematic variational solution of the bosonic theory, and obtain results that agree quantitatively with an exact diagonalization of the original one-particle fermionic model. This provides a proof of the fully microscopic character of bosonization, on all energy scales, for an arbitrary band structure. Besides recovering the known x-ray edge singularity at the emission threshold, we find strong signatures of correlations even at emission frequencies beyond the band bottom.

  11. Electronic band structure and magnetism of Fe16N2 calculated by the FLAPW method

    Science.gov (United States)

    Tanaka, Hirofumi; Harima, Hisatomo; Yamamoto, Tetsuya; Katayama-Yoshida, Hiroshi; Nakata, Yoshiyuki; Hirotsu, Yoshihiko

    2000-12-01

    Electronic band structure calculations based on the full-potential linear augmented plane-wave method have been performed for Fe16N2. The calculations are performed with the crystal parameters recently refined [H. Tanaka et al., Acta Mater. 45, 1401 (1997)] in addition to the previous reported structure [K. H. Jack, Proc. R. Soc. London, Ser. A 208, 200 (1951)]. Jack's model (J model) led to the model of Tanaka et al. (T model), where Fe atoms at the 8h site shift to N atoms along the [110] direction. The calculated average moment per Fe atom for the T model is slightly smaller than that for the J model. We cannot theoretically expect a large magnetic moment based on any Fe16N2 structure. The presence of another material that has a large magnetic moment must be considered to explain the large magnetic moment of the Fe-N system.

  12. Calculation of the band structure of 2d conducting polymers using the network model

    International Nuclear Information System (INIS)

    Sabra, M. K.; Suman, H.

    2007-01-01

    the network model has been used to calculate the band structure the gap energy and Fermi level of conducting polymers in two dimensions. For this purpose, a geometrical classification of possible polymer chains configurations in two dimensions has been introduced leading to a classification of the unit cells based on the number of bonds in them. The model has been applied to graphite in 2D, represented by a three bonds unit cell, and, as a new case, the anti-parallel Polyacetylene chains (PA) in two dimensions, represented by a unit cell with four bons. The results are in good agreement with the first principles calculations. (author)

  13. Silicon-based photocells of enhanced spectral sensitivity with nano-sized graded band gap structures

    International Nuclear Information System (INIS)

    Bakhadyrkhanov, M.K.; Isamov, S.B.; Iliev, K.M. et al.

    2014-01-01

    Photoelectric properties of monocrystalline silicon with multiply charged nanoclusters are studied that generate 'silicon clusters', i.e., nano-sized graded band gap structures. Multiply charged nanoclusters of manganese atoms strongly influence the photoelectric properties of monocrystalline silicon and expand the range of spectral sensitivity up to 8 μm; the photoelectric sensitivity reaches ∼10 9 . Conditions occur for the emergence of photo-emf in such a material in the infrared region when hν< E g . The obtained experimental data expand the functional capabilities for the application of silicon with multiply charged impurity atoms. (authors)

  14. A multi-mesh finite element method for phase-field based photonic band structure optimization

    Science.gov (United States)

    Wu, Shengyang; Hu, Xianliang; Zhu, Shengfeng

    2018-03-01

    A novel finite element method with multiple meshes is proposed, which is applied to solve the phase-field models for photonic band structures optimization. In our approach, fine meshes are used for the phase field evolution, which allows fine resolution for shape representations. The coarse meshes are adopted for the finite element analysis of the state equation. Such a multi-mesh approach could save a considerable amount of computational costs. Numerical convergence is illustrated through comparisons between our computational results and benchmarks. The efficiency and robustness of the multi-mesh approach are also shown.

  15. Effect of edge defects on band structure of zigzag graphene nanoribbons

    Science.gov (United States)

    Wadhwa, Payal; Kumar, Shailesh; Dhilip Kumar, T. J.; Shukla, Alok; Kumar, Rakesh

    2018-04-01

    In this article, we report band structure studies of zigzag graphene nanoribbons (ZGNRs) on introducing defects (sp3 hybridized carbon atoms) in different concentrations at edges by varying the ratio of sp3 to sp2 hybridized carbon atoms. On the basis of theoretical analyses, bandgap values of ZGNRs are found to be strongly dependent on the relative arrangement of sp3 to sp2 hybridized carbon atoms at the edges for a defect concentration; so the findings would greatly help in understanding the bandgap of nanoribbons for their electronic applications.

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

    Energy Technology Data Exchange (ETDEWEB)

    Sutherland, Kevin Jerome [Iowa State Univ., Ames, IA (United States)

    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

  17. Existence, character, and origin of surface-related bands in the high temperature iron pnictide superconductor BaFe(2-x)Co(x)As2.

    Science.gov (United States)

    van Heumen, Erik; Vuorinen, Johannes; Koepernik, Klaus; Massee, Freek; Huang, Yingkai; Shi, Ming; Klei, Jesse; Goedkoop, Jeroen; Lindroos, Matti; van den Brink, Jeroen; Golden, Mark S

    2011-01-14

    Low energy electron diffraction (LEED) experiments, LEED simulations, and finite slab density functional calculations are combined to study the cleavage surface of Co doped BaFe(2-x)Co(x)As2 (x = 0.1,0.17). We demonstrate that the energy dependence of the LEED data can only be understood from a terminating 1/2 Ba layer accompanied by distortions of the underlying As-Fe2-As block. As a result, surface-related Fe 3d states are present in the electronic structure, which we identify in angle resolved photoemission spectroscopy (ARPES) experiments. The close proximity of the surface-related states to the bulk bands inevitably leads to broadening of the ARPES signals, which excludes the use of the BaFe(2-x)Co(x)As2 system for accurate determination of self-energies using ARPES.

  18. Nanoscale surface topographies for structural colors

    DEFF Research Database (Denmark)

    Clausen, Jeppe Sandvik

    The thesis describes and demonstrates the possibilities for utilization of structural colors in mass fabricated plastic products as replacement for or in combination with pigments and inks. The motivation is the possible advantages related to re-cycling and re-use of plastic by limiting the number......-polymer interface is suppressed. This improves the ability to see through a clear plastic in the presence of specular reflection. The tapered nanostructures are also utilized to enhance the chroma of pigmented polymers. Larger tapered structures fabricated in a similar manor are shown to work as color filters....... Through an experimental study is the color of the transmitted light linked directly to the random topography of the surface by use of diffraction theory. The color effects from periodic structures and how these might be employed to create bright colors are investigated. This is done both for opaque...

  19. 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.

  20. STATUS OF X-BAND STANDING WAVE STRUCTURE STUDIES AT SLAC

    International Nuclear Information System (INIS)

    Dolgashev, Valery A.

    2003-01-01

    The linacs proposed for the Next Linear Collider (NLC) and Japanese Linear Collider (JLC) would contain several thousand X-Band accelerator structures that would operate at a loaded gradient of 50 MV/m. An extensive experimental and theoretical program is underway at SLAC, FNAL and KEK to develop structures that reliably operate at this gradient. The development of standing wave structures is a part of this program. The properties of standing wave structures allow them to operate at the loaded gradient in contrast to traveling wave structures that need conditioning to the unloaded gradient (65 MV/m for NLC/JLC). The gradients in the standing structures tested thus far have been limited by input coupler breakdowns. The behavior of these breakdowns is consistent with a model of pulsed heating due to high magnetic fields. New input couplers have been designed to reduce maximum magnetic fields. This paper discusses design considerations related to high power performance, wakefield suppression and results of high power tests of prototype standing wave structures

  1. Plasmon Modulation Spectroscopy of Noble Metals to Reveal the Distribution of the Fermi Surface Electrons in the Conduction Band

    Directory of Open Access Journals (Sweden)

    Kentaro Takagi

    2017-12-01

    Full Text Available To directly access the dynamics of electron distribution near the Fermi-surface after plasmon excitation, pump-probe spectroscopy was performed by pumping plasmons on noble-metal films and probing the interband transition. Spectral change in the interband transitions is sensitive to the electron distribution near the Fermi-surface, because it involves the d valence-band to the conduction band transitions and should reflect the k-space distribution dynamics of electrons. For the continuous-wave pump and probe experiment, the plasmon modulation spectra are found to differ from both the current modulation and temperature difference spectra, possibly reflecting signatures of the plasmon wave function. For the femtosecond-pulse pump and probe experiment, the transient spectra agree well with the known spectra upon the excitation of the respective electrons resulting from plasmon relaxation, probably because the lifetime of plasmons is shorter than the pulse duration.

  2. Architectural Surfaces and Structures from Circular Arcs

    KAUST Repository

    Shi, Ling

    2013-12-01

    In recent decades, the popularity of freeform shapes in contemporary architecture poses new challenges to digital design. One of them is the process of rationalization, i.e. to make freeform skins or structures affordable to manufacture, which draws the most attention from geometry researchers. In this thesis, we aim to realize this process with simple geometric primitives, circular arcs. We investigate architectural surfaces and structures consisting of circular arcs. Our focus is lying on how to employ them nicely and repetitively in architectural design, in order to decrease the cost in manufacturing. Firstly, we study Darboux cyclides, which are algebraic surfaces of order ≤ 4. We provide a computational tool to identify all families of circles on a given cyclide based on the spherical model of M ̈obius geometry. Practical ways to design cyclide patches that pass through certain inputs are presented. In particular, certain triples of circle families on Darboux cyclides may be suitably arranged as 3-webs. We provide a complete classification of all possible 3-webs of circles on Darboux cyclides. We then investigate the circular arc snakes, which are smooth sequences of circu- lar arcs. We evolve the snakes such that their curvature, as a function of arc length, remains unchanged. The evolution of snakes is utilized to approximate given surfaces by circular arcs or to generated freeform shapes, and it is realized by a 2-step pro- cess. More interestingly, certain 6-arc snake with boundary constraints can produce a smooth self motion, which can be employed to build flexible structures. Another challenging topic is approximating smooth freeform skins with simple panels. We contribute to this problem area by approximating a negatively-curved 5 surface with a smooth union of rational bilinear patches. We provide a proof for vertex consistency of hyperbolic nets using the CAGD approach of the rational B ́ezier form. Moreover, we use Darboux transformations for the

  3. Effects of electronic correlation, physical structure, and surface termination on the electronic structure of V2O3 nanowires

    Science.gov (United States)

    Tiano, Amanda L.; Li, Jing-bin; Sutter, Eli; Wong, Stanislaus S.; Fernández-Serra, M.-V.

    2012-09-01

    We report on a density functional theory (DFT) study of the electronic structure of vanadium sesquioxide (V2O3) in both bulk and nanowire form. In particular, our study focuses on the role of spin polarization and electronic correlations, as computed within the local (spin) density approximation (L(S)DA) and the LDA+U formalism. As expected for a mean-field approach such as DFT, our optimized bulk V2O3 structure is shown to be metallic in nature, while an adequate choice of the Hubbard U parameter (U = 4 eV) is enough to open the band gap, making the system insulating. However, this formalism predicts a nonmagnetic insulator, as opposed to the experimentally observed antiferromagnetic structure, to be the ground state. The electronic structure of the V2O3 nanowire system is more complex, and it strongly depends on the surface termination of the structures. Our results show that non-spin-polarized LDA calculations of 001-grown nanowires are metallic in nature. However, LSDA predicts that some surface terminations are half-metals, with a large band gap opening for one of the spins. When LSDA+U was used to study the nanowire model with a closed-shell oxygen surface termination, we observe insulating behavior with no net magnetic moment, with a 104 meV band gap. This is consistent with the experimentally observed gap recently reported in the literature for similar wires. To experimentally address the surface structure of these nanowires, we perform surface specific nano-Auger electron spectroscopy on as-synthesized V2O3 nanowires. Our experimental results show a higher O:V peak ratio (1.93:1) than expected for pure V2O3, thereby suggesting higher oxygen content at the surface of the nanowires. From our results, we conclude that oxygen termination is likely the termination for our as-synthesized V2O3 nanowires.

  4. Bioinspired, dynamic, structured surfaces for biofilm prevention

    Science.gov (United States)

    Epstein, Alexander K.

    Bacteria primarily exist in robust, surface-associated communities known as biofilms, ubiquitous in both natural and anthropogenic environments. Mature biofilms resist a wide range of biocidal treatments and pose persistent pathogenic threats. Treatment of adherent biofilm is difficult, costly, and, in medical systems such as catheters, frequently impossible. Adding to the challenge, we have discovered that biofilm can be both impenetrable to vapors and extremely nonwetting, repelling even low surface tension commercial antimicrobials. Our study shows multiple contributing factors, including biochemical components and multiscale reentrant topography. Reliant on surface chemistry, conventional strategies for preventing biofilm only transiently affect attachment and/or are environmentally toxic. In this work, we look to Nature's antifouling solutions, such as the dynamic spiny skin of the echinoderm, and we develop a versatile surface nanofabrication platform. Our benchtop approach unites soft lithography, electrodeposition, mold deformation, and material selection to enable many degrees of freedom—material, geometric, mechanical, dynamic—that can be programmed starting from a single master structure. The mechanical properties of the bio-inspired nanostructures, verified by AFM, are precisely and rationally tunable. We examine how synthetic dynamic nanostructured surfaces control the attachment of pathogenic biofilms. The parameters governing long-range patterning of bacteria on high-aspect-ratio (HAR) nanoarrays are combinatorially elucidated, and we discover that sufficiently low effective stiffness of these HAR arrays mechanoselectively inhibits ˜40% of Pseudomonas aeruginosa biofilm attachment. Inspired by the active echinoderm skin, we design and fabricate externally actuated dynamic elastomer surfaces with active surface microtopography. We extract from a large parameter space the critical topographic length scales and actuation time scales for achieving

  5. Sea Surface Salinity and Wind Retrieval Algorithm Using Combined Passive-Active L-Band Microwave Data

    Science.gov (United States)

    Yueh, Simon H.; Chaubell, Mario J.

    2011-01-01

    Aquarius is a combined passive/active L-band microwave instrument developed to map the salinity field at the surface of the ocean from space. The data will support studies of the coupling between ocean circulation, the global water cycle, and climate. The primary science objective of this mission is to monitor the seasonal and interannual variation of the large scale features of the surface salinity field in the open ocean with a spatial resolution of 150 kilometers and a retrieval accuracy of 0.2 practical salinity units globally on a monthly basis. The measurement principle is based on the response of the L-band (1.413 gigahertz) sea surface brightness temperatures (T (sub B)) to sea surface salinity. To achieve the required 0.2 practical salinity units accuracy, the impact of sea surface roughness (e.g. wind-generated ripples and waves) along with several factors on the observed brightness temperature has to be corrected to better than a few tenths of a degree Kelvin. To the end, Aquarius includes a scatterometer to help correct for this surface roughness effect.

  6. Calculating the SnS(010) surface electronic structure using the green function method

    Science.gov (United States)

    Jahangirli, Z. A.

    2011-08-01

    The electronic structure of the (010) surface in a layered SnS semiconductor terminating with Sn and S atomic planes is calculated by the Green function method. The electronic structure of a perfect crystal is calculated according to the linear combination of atomic orbitals (LCAO) using Slater s-, p-, and d-orbitals. Defect-induced changes in the density of states and the origin and orbital composition of electronic states in the band gap are discussed.

  7. Ka-band Doppler Scatterometer for Measurements of Ocean Vector Winds and Surface Currents

    Data.gov (United States)

    National Aeronautics and Space Administration — Ocean surface currents impact heat transport, surface momentum and gas fluxes, ocean productivity and marine biological communities. Ocean currents also have social...

  8. One-dimensional electromagnetic band gap plasma structure formed by atmospheric pressure plasma inhomogeneities

    Science.gov (United States)

    Babitski, V. S.; Callegari, Th.; Simonchik, L. V.; Sokoloff, J.; Usachonak, M. S.

    2017-08-01

    The ability to use plasma columns of pulse discharges in argon at atmospheric pressure to form a one-dimensional electromagnetic band gap structure (or electromagnetic crystal) in the X-band waveguide is demonstrated. We show that a plasma electromagnetic crystal attenuates a microwave propagation in the stopband more than by 4 orders of magnitude. In order to obtain an effective control of the transmission spectrum comparable with a metallic regular structure, the electron concentration in plasma inhomogeneities should vary within the range from 1014 cm-3 to 1016 cm-3, while gas temperature and mean electron energy must be in the range of 2000 K and 0.5 eV, respectively, to lower electron collision frequency around 1010 s-1. We analyze in detail the time evolution response of the electromagnetic crystal according to the plasma parameters for the duration of the discharge. The interest of using atmospheric pressure discharges is to increase the microwave breakdown threshold in discharge volumes, whereby it becomes possible to perform dynamic control of high power microwaves.

  9. Consideration of relativistic effects in band structure calculations based on the empirical tight-binding method

    International Nuclear Information System (INIS)

    Hanke, M.; Hennig, D.; Kaschte, A.; Koeppen, M.

    1988-01-01

    The energy band structure of cadmium telluride and mercury telluride materials is investigated by means of the tight-binding (TB) method considering relativistic effects and the spin-orbit interaction. Taking into account relativistic effects in the method is rather simple though the size of the Hamilton matrix doubles. Such considerations are necessary for the interesting small-interstice semiconductors, and the experimental results are reflected correctly in the band structures. The transformation behaviour of the eigenvectors within the Brillouin zone gets more complicated, but is, nevertheless, theoretically controllable. If, however, the matrix elements of the Green operator are to be calculated, one has to use formula manipulation programmes in particular for non-diagonal elements. For defect calculations by the Koster-Slater theory of scattering it is necessary to know these matrix elements. Knowledge of the transformation behaviour of eigenfunctions saves frequent diagonalization of the Hamilton matrix and thus permits a numerical solution of the problem. Corresponding results for the sp 3 basis are available

  10. Valence-band structure of cubic CdS as determined by angle-resolved photoemission

    Science.gov (United States)

    Stampfl, A. P. J.; Hofmann, Ph.; Schaff, O.; Bradshaw, A. M.

    1997-04-01

    The valence-band structure of cubic CdS along the Γ-Σ-X direction and at all high-symmetry points has been experimentally determined using angle-resolved photoemission and compared to two local density approximation (LDA) calculations as well as to a recent quasiparticle calculation. The Cd 4d level was found to be semibandlike with an energy dispersion of up to 1 eV. The energy difference between the experimental and our calculated linear-muffin-tin orbital (LMTO) LDA energies falls, as expected, along a line of positive gradient. The quasiparticle calculation by Pollmann and co-workers fits the experimental values somewhat better than the LMTO calculation, although a difference of ~1.0 eV was still found to occur for the Cd 4d band. The self-interaction and relaxation-corrected pseudopotential LDA results by the same group give the best fit to within ~+/-0.5 eV for nearly all critical energies measured. Comparison with previously reported photoemission results on the wurtzite structure shows that energies at equivalent symmetry points agree within experimental error.

  11. 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...

  12. Frequency Selective Surface for Structural Health Monitoring

    Science.gov (United States)

    Norlyana Azemi, Saidatul; Mustaffa, Farzana Hazira Wan; Faizal Jamlos, Mohd; Abdullah Al-Hadi, Azremi; Soh, Ping Jack

    2018-03-01

    Structural health monitoring (SHM) technologies have attained attention to monitor civil structures. SHM sensor systems have been used in various civil structures such as bridges, buildings, tunnels and so on. However the previous sensor for SHM is wired and encounter with problem to cover large areas. Therefore, wireless sensor was introduced for SHM to reduce network connecting problem. Wireless sensors for Structural Health monitoring are new technology and have many advantages to overcome the drawback of conventional and wired sensor. This project proposed passive wireless SHM sensor using frequency selective surface (FSS) as an alternative to conventional sensors. The electromagnetic wave characteristic of FSS will change by geometrical changes of FSS due to mechanical strain or structural failure. The changes feature is used as a sensing function without any connecting wires. Two type of design which are circular ring and square loop along with the transmission and reflection characteristics of SHM using FSS were discussed in this project. A simulation process has shown that incident angle characteristics can be use as a data for SHM application.

  13. Structure and thermodynamics of surface recognition

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, G.

    1998-11-01

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Interactions of the surface glycoprotein, gp120, with the receptors of host cells define the pathogenesis of HIV-1, the virus that causes AIDS. gp120 is made of several disulfide-bridged loops--the amino acid sequences of some of these loops are fairly conserved whereas the rest are variable. The third variable (V3) loop has been the target of vaccine design for quite some time since this loop is involved in various steps of viral pathogenesis. However, this loop also happens to be the most variable one. The authors have carried out structural and immunological studies to determine the sequence-structure-antigenicity correlations of the HIV-1 V3 loops. This resulted in the identification of a secondary structure at the tip of the V3 loop that remains invariant in spite of the sequence variation. The authors designed a multi-valent V3-based antigen that presents multiple copies of the same tip element several times in the same structure. During the course of this project, they realized that the protective epitopes of gp120 should be judged in the context of the native structure. Therefore, the authors developed a method to obtain a model of gp120 that is consistent with all the immunology and virology data. This model is useful in choosing or designing gp120 subdomains for vaccine development.

  14. The valence band structure of AgxRh1–x alloy nanoparticles

    International Nuclear Information System (INIS)

    Yang, Anli; Sakata, Osami; Kusada, Kohei; Kobayashi, Hirokazu; Yayama, Tomoe; Ishimoto, Takayoshi; Yoshikawa, Hideki; Koyama, Michihisa

    2014-01-01

    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 Ag 0.5 Rh 0.5 alloy NPs near the Fermi edge was strikingly similar to that of Pd NPs, whose superior hydrogen-storage properties are well known.

  15. Time-resolved ARPES at LACUS: Band Structure and Ultrafast Electron Dynamics of Solids.

    Science.gov (United States)

    Crepaldi, Alberto; Roth, Silvan; Gatti, Gianmarco; Arrell, Christopher A; Ojeda, José; van Mourik, Frank; Bugnon, Philippe; Magrez, Arnaud; Berger, Helmuth; Chergui, Majed; Grioni, Marco

    2017-05-31

    The manipulation of the electronic properties of solids by light is an exciting goal, which requires knowledge of the electronic structure with energy, momentum and temporal resolution. Time- and angle-resolved photoemission spectroscopy (tr-ARPES) is the most direct probe of the effects of an optical excitation on the band structure of a material. In particular, tr-ARPES in the extreme ultraviolet (VUV) range gives access to the ultrafast dynamics over the entire Brillouin zone. VUV tr-ARPES experiments can now be performed at the ASTRA (ARPES Spectrometer for Time-Resolved Applications) end station of Harmonium, at LACUS. Its capabilities are illustrated by measurements of the ultrafast electronic response of ZrSiTe, a novel topological semimetal characterized by linearly dispersing states located at the Brillouin zone boundary.

  16. Metastable modular metastructures for on-demand reconfiguration of band structures and nonreciprocal wave propagation

    Science.gov (United States)

    Wu, Z.; Zheng, Y.; Wang, K. W.

    2018-02-01

    We present an approach to achieve adaptable band structures and nonreciprocal wave propagation by exploring and exploiting the concept of metastable modular metastructures. Through studying the dynamics of wave propagation in a chain composed of finite metastable modules, we provide experimental and analytical results on nonreciprocal wave propagation and unveil the underlying mechanisms that facilitate such unidirectional energy transmission. In addition, we demonstrate that via transitioning among the numerous metastable states, the proposed metastructure is endowed with a large number of bandgap reconfiguration possibilities. As a result, we illustrate that unprecedented adaptable nonreciprocal wave propagation can be realized using the metastable modular metastructure. Overall, this research elucidates the rich dynamics attainable through the combinations of periodicity, nonlinearity, spatial asymmetry, and metastability and creates a class of adaptive structural and material systems capable of realizing tunable bandgaps and nonreciprocal wave transmissions.

  17. Engineering design and fabrication of tapered damped X-Band accelerating structures

    CERN Document Server

    Solodko, A; Gudkov, D; Riddone, G; Grudiev, A; Atieh, S; Taborelli, M

    2011-01-01

    The accelerating structures (AS) are one of the main components of the Compact LInear Collider (CLIC), under study at CERN. Each accelerating structure contains about 30 copper discs, which form the accelerating cavity. The requirements of different technical systems, such as vacuum and cooling, have to be considered during the engineering design. A fully featured AS is very challenging and requires several technologies. Different damping methods, waveguides, vacuum manifolds, slots and chokes, result in various design configurations. In the CLIC AS each cell is damped by means of four waveguides coupled to the cell. The vacuum manifolds combine a number of functions such as damping, vacuum pumping and cooling. A silicon carbide absorber, fixed inside of each manifold, is required for effective damping of Higher Order Modes (HOMs). This paper describes the engineering design of the X-band AS with damping material, and focuses on few technical solutions.

  18. AVHRR Surface Temperature and Narrow-Band Albedo Comparison with Ground Measurements for the Greenland Ice Sheet

    Science.gov (United States)

    Haefliger, M.; Steffen, K.; Fowler, C.

    1993-01-01

    An ice-surface temperature retrieval algorithm for the Greenland ice sheet was developed using NOAA 11 thermal radiances from channels 4 and 5. Temperature, pressure and humidity profiles, cloud observations and skin temperatures from the Swiss Federal Institute of Technology (ETH) camp, located at the equilibrium line altitude at 49 deg17 min W, 69 deg 34 min N, were used in the LOWTRAN 7 model. Through a statistical analysis of daily clear sky profiles, the coefficients that correct for the atmospheric effects were determined for the ETH-Camp field season (May to August). Surface temperatures retrieved by this method were then compared against the in situ observations with a maximum difference of 0.6 K. The NOAA 11 narrow-band planetary albedo values for channels 1 and 2 were calculated using pre-launch calibration coefficients. Scattering and absorption by the atmosphere were modelled with LOWTRAN 7. Then, narrow-band albedo values for the AVHRR visible and near infrared channels were compared with in situ high resolution spectral reflectance measurements. In the visible band (580-680 nm), AVHRR-derived narrow-band albedo and the in situ measurements corrected with radiative transfer model LOWTRAN 7 showed a difference of less than 2%. For the near infrared channel (725-1100 nm) the difference between the measured and modelled narrow-band albedo was 14%. These discrepancies could be either the result of inaccurate aerosol scattering modelling (lack of the in situ observation), or the result of sensor drift due to degradation.

  19. Effects of surface roughness on sea ice freeboard retrieval with an Airborne Ku-Band SAR radar altimeter

    DEFF Research Database (Denmark)

    Hendricks, Stefan; Stenseng, Lars; Helm, Veit

    2010-01-01

    Results from two years of the CryoSat Validation Experiment (CryoVEx) over sea ice in the western Arctic Ocean are presented. The estimation of freeboard, the height of sea ice floating above the water level, is one the main goals of the CryoSat-2 mission of the European Space Agency (ESA) in order...... to investigate sea ice volume changes on an Arctic wide scale. Freeboard retrieval requires precise radar range measurements to the ice surface, therefore we investigate the penetration of the Ku-Band radar waves into the overlying snow cover as well as the effects of sub-footprint-scale surface roughness using...

  20. Revisiting the coupled-mass system and analogy with a simple band gap structure

    International Nuclear Information System (INIS)

    Levesque, L

    2006-01-01

    A great deal of insight can be gained from the analysis of coupled masses connected to springs in order to understand better the origin of band gaps in physical systems. The approach is based on the application of the superposition principle for finding the general solution in simple mechanical systems involving functions, which vary periodically with time. Graphs show that sums of periodic functions oscillating at different frequencies lead to an exchange of energy from one oscillator to another in a simple mechanical system of three objects connected by identical springs. A system of a large number of masses connected to springs having the same spring constant K is then considered and compared with a system in which the spring constants alternate from K to another value G when connecting one mass to another. Using the results found from the mechanical systems, an analogy of charge oscillations excited on both uniform and corrugated surfaces is presented. The results obtained attempt to expand understanding of the origin of the band gap occurring in some systems involving periodic motions

  1. Analytical and Numerical Calculations of Two-Dimensional Dielectric Photonic Band Gap Structures and Cavities for Laser Acceleration

    CERN Document Server

    Samokhvalova, Ksenia R; Liang Qian, Bao

    2005-01-01

    Dielectric photonic band gap (PBG) structures have many promising applications in laser acceleration. For these applications, accurate determination of fundamental and high order band gaps is critical. We present the results of our recent work on analytical calculations of two-dimensional (2D) PBG structures in rectangular geometry. We compare the analytical results with computer simulation results from the MIT Photonic Band Gap Structure Simulator (PBGSS) code, and discuss the convergence of the computer simulation results to the analytical results. Using the accurate analytical results, we design a mode-selective 2D dielectric cylindrical PBG cavity with the first global band gap in the frequency range of 8.8812 THz to 9.2654 THz. In this frequency range, the TM01-like mode is shown to be well confined.

  2. An Improved Single-Channel Method to Retrieve Land Surface Temperature from the Landsat-8 Thermal Band

    Directory of Open Access Journals (Sweden)

    Jordi Cristóbal

    2018-03-01

    Full Text Available Land surface temperature (LST is one of the sources of input data for modeling land surface processes. The Landsat satellite series is the only operational mission with more than 30 years of archived thermal infrared imagery from which we can retrieve LST. Unfortunately, stray light artifacts were observed in Landsat-8 TIRS data, mostly affecting Band 11, currently making the split-window technique impractical for retrieving surface temperature without requiring atmospheric data. In this study, a single-channel methodology to retrieve surface temperature from Landsat TM and ETM+ was improved to retrieve LST from Landsat-8 TIRS Band 10 using near-surface air temperature (Ta and integrated atmospheric column water vapor (w as input data. This improved methodology was parameterized and successfully evaluated with simulated data from a global and robust radiosonde database and validated with in situ data from four flux tower sites under different types of vegetation and snow cover in 44 Landsat-8 scenes. Evaluation results using simulated data showed that the inclusion of Ta together with w within a single-channel scheme improves LST retrieval, yielding lower errors and less bias than models based only on w. The new proposed LST retrieval model, developed with both w and Ta, yielded overall errors on the order of 1 K and a bias of −0.5 K validated against in situ data, providing a better performance than other models parameterized using w and Ta or only w models that yielded higher error and bias.

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

    International Nuclear Information System (INIS)

    Zhou, Linsen; Xie, Daiqian; Sun, Zhigang; Guo, Hua

    2014-01-01

    The photodissociation dynamics of H 2 O 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 H 2 O(A ~1 A ′′ ). Comparisons with experimental data and a Franck-Condon model are generally very good, although some discrepancies exist

  4. Monitoring of Forest Structure Dynamics by Means of L-Band SAR Tomography

    Directory of Open Access Journals (Sweden)

    Victor Cazcarra-Bes

    2017-11-01

    Full Text Available Synthetic Aperture Radar Tomography (TomoSAR allows the reconstruction of the 3D reflectivity of natural volume scatterers such as forests, thus providing an opportunity to infer structure information in 3D. In this paper, the potential of TomoSAR data at L-band to monitor temporal variations of forest structure is addressed using simulated and experimental datasets. First, 3D reflectivity profiles were extracted by means of TomoSAR reconstruction based on a Compressive Sensing (CS approach. Next, two complementary indices for the description of horizontal and vertical forest structure were defined and estimated by means of the distribution of local maxima of the reconstructed reflectivity profiles. To assess the sensitivity and consistency of the proposed methodology, variations of these indices for different types of forest changes in simulated as well as in real scenarios were analyzed and assessed against different sources of reference data: airborne Lidar measurements, high resolution optical images, and forest inventory data. The forest structure maps obtained indicated the potential to distinguish between different forest stages and the identification of different types of forest structure changes induced by logging, natural disturbance, or forest management.

  5. Dispersive and resonant properties of finite one-dimensional photonic band gap structures

    Science.gov (United States)

    Bowden, C. M.; Scalora, Michael; Bloemer, Mark J.; Sibilia, Concita; D'Aguanno, Giuseppe; Centini, Marco; Bertolotti, Mario

    2000-06-01

    The report is a review of work one-dimensional photonic band gap (PBG) materials, carried out by the Quantum Optics Group at the US Army Aviation and Missile Command during the past few years. This work has benefited from national and international collaborations between academic, industrial, and governmental research organizations. The research effort has benefited from a multifaceted approach that combined innovative, theoretical methods with fabrication techniques in order to address the physics of structures of finite length, i.e., the description of spatio-temporal linear and nonlinear dynamics and boundary conditions. In this work we will review what we consider three major breakthroughs: (a) the discovery of transparent metals; (b) discovery of critical phase matching conditions in PBG structures for second harmonic and nonlinear frequency conversion; (c) development of a PBG true time delay device. Our report addresses linear and nonlinear wave propagation in PBG materials, one-dimensional structures in particular. Most investigators generally address two and three-dimensional structures. We choose one-dimensional systems because in the past they have proven to be quite challenging and have pointed the way to the new physical phenomena that are the subject of this report. In addition, one-dimensional systems can be used as a blueprint for higher dimensional structures, where the work is necessarily much more computationally intensive, and the physics much less transparent as a result.

  6. Observation of high-spin oblate band structures in Pm141

    Science.gov (United States)

    Gu, L.; Zhu, S. J.; Wang, J. G.; Yeoh, E. Y.; Xiao, Z. G.; Zhang, S. Q.; Meng, J.; Zhang, M.; Liu, Y.; Ding, H. B.; Xu, Q.; Zhu, L. H.; Wu, X. G.; He, C. Y.; Li, G. S.; Wang, L. L.; Zheng, Y.; Zhang, B.

    2011-06-01

    The high-spin states of Pm141 have been investigated through the reaction Te126(F19,4n) at a beam energy of 90 MeV. A previous level scheme has been updated with spins up to 49/2ℏ. Six collective bands at high spins are newly observed. Based on the systematic comparison, one band is proposed as a decoupled band; two bands with strong ΔI=1 M1 transitions inside the bands are suggested as the oblate bands with γ ~-60°; three other bands with large signature splitting have been proposed with the oblate-triaxial deformation with γ~ -90°. The triaxial n-particle-n-hole particle rotor model calculations for one of the oblate bands in Pm141 are in good agreement with the experimental data. The other characteristics for these bands have been discussed.

  7. Crystal growth, structure, and electronic band structure of tetracene-TCNQ

    NARCIS (Netherlands)

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

    2007-01-01

    We have grown the charge-transfer salt of the electron acceptor 7,7,8,8-tetracyanoquinodimethane (TCNQ) and the electron donor tetracene using physical vapor transport. The crystal structure was solved by singlecrystal X-ray diffraction and the symmetry was found to be triclinic (space group PT).

  8. C-Band Airport Surface Communications System Engineering-Initial High-Level Safety Risk Assessment and Mitigation

    Science.gov (United States)

    Zelkin, Natalie; Henriksen, Stephen

    2011-01-01

    This document is being provided as part of ITT's NASA Glenn Research Center Aerospace Communication Systems Technical Support (ACSTS) contract: "New ATM Requirements--Future Communications, C-Band and L-Band Communications Standard Development." ITT has completed a safety hazard analysis providing a preliminary safety assessment for the proposed C-band (5091- to 5150-MHz) airport surface communication system. The assessment was performed following the guidelines outlined in the Federal Aviation Administration Safety Risk Management Guidance for System Acquisitions document. The safety analysis did not identify any hazards with an unacceptable risk, though a number of hazards with a medium risk were documented. This effort represents an initial high-level safety hazard analysis and notes the triggers for risk reassessment. A detailed safety hazards analysis is recommended as a follow-on activity to assess particular components of the C-band communication system after the profile is finalized and system rollout timing is determined. A security risk assessment has been performed by NASA as a parallel activity. While safety analysis is concerned with a prevention of accidental errors and failures, the security threat analysis focuses on deliberate attacks. Both processes identify the events that affect operation of the system; and from a safety perspective the security threats may present safety risks.

  9. 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.

  10. Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

    KAUST Repository

    Komesu, Takashi

    2016-08-24

    The electronic structure and band dispersion of methylammonium lead bromide, CH3NH3PbBr3, has been investigated through a combination of angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES), as well as theoretical modeling based on density functional theory. The experimental band structures are consistent with the density functional calculations. The results demonstrate the presence of a dispersive valence band in MAPbBr3 that peaks at the M point of the surface Brillouin zone. The results also indicate that the surface termination of the CH3NH3PbBr3 is the methylammonium bromide (CH3NH3Br) layer. We find our results support models that predict a heavier hole effective mass in the region of -0.23 to -0.26 me, along the Γ (surface Brillouin center) to M point of the surface Brillouin zone. The surface appears to be n-type as a result of an excess of lead in the surface region. © 2016 American Chemical Society.

  11. The Surface Structure of Ground Metal Crystals

    Science.gov (United States)

    Boas, W.; Schmid, E.

    1944-01-01

    The changes produced on metallic surfaces as a result of grinding and polishing are not as yet fully understood. Undoubtedly there is some more or less marked change in the crystal structure, at least, in the top layer. Hereby a diffusion of separated crystal particles may be involved, or, on plastic material, the formation of a layer in greatly deformed state, with possible recrystallization in certain conditions. Czochralski verified the existence of such a layer on tin micro-sections by successive observations of the texture after repeated etching; while Thomassen established, roentgenographically by means of the Debye-Scherrer method, the existence of diffused crystal fractions on the surface of ground and polished tin bars, which he had already observed after turning (on the lathe). (Thickness of this layer - 0.07 mm). Whether this layer borders direct on the undamaged base material or whether deformed intermediate layers form the transition, nothing is known. One observation ty Sachs and Shoji simply states that after the turning of an alpha-brass crystal the disturbance starting from the surface, penetrates fairly deep (approx. 1 mm) into the crystal (proof by recrystallization at 750 C).

  12. Structural color films with lotus effects, superhydrophilicity, and tunable stop-bands.

    Science.gov (United States)

    Sato, Osamu; Kubo, Shoichi; Gu, Zhong-Ze

    2009-01-20

    The structural blue color of a Morpho butterfly originates from the diffraction of light and interference effects due to the presence of the microstructures on the wing of the butterfly. Structural color on the surface of a damselfish reversibly changes between green and blue. Inspired by these creatures, we have been trying to prepare high-quality and functional structural color films. We describe our efforts in this Account. A useful technique to prepare such structural color films in colloidal solution is a "lifting" method, which allows us to quickly fabricate brilliant colloidal crystal films. The thicknesses of the films can be controlled by precisely adjusting the particle concentration and the lifting speed. Moreover, in order to prepare a complicated structure, we have used template methods. Indeed, we have successfully prepared the inverse structure of the wing of a Morpho butterfly with this technique. Initially, however, our structural color films had a whitish appearance due to the scattering of light by defects in the colloidal crystal film. Later, we were able to prepare a non-whitish structural color film by doping an appropriate dye in the colloidal particles to absorb the scattering light. In addition to the structural blue color, the wing of the Morpho butterfly has superhydrophobic properties. According to Wenzel's equation, the hydrophobic and hydrophilic properties are enhanced when the roughness of the hydrophobic and hydrophilic surface is increased, respectively. Based on this mechanism, we have successfully prepared structural color films with superhydrophobic properties, as well as with superhydrophilic properties. Another important property that can be seen in nature is tunable structural color, such as the color change that can be seen on the surface of a damselfish. In order to mimic such color change, we have developed several tunable structural color films. In particular, we have successfully prepared phototunable photonic crystals

  13. Touching points in the energy band structure of bilayer graphene superlattices

    International Nuclear Information System (INIS)

    Pham, C Huy; Nguyen, V Lien

    2014-01-01

    The energy band structure of the bilayer graphene superlattices with zero-averaged periodic δ-function potentials are studied within the four-band continuum model. Using the transfer matrix method, the study is mainly focused on examining the touching points between adjacent minibands. For the zero-energy touching points the dispersion relation derived shows a Dirac-like double-cone shape with the group velocity which is periodic in the potential strength P with the period of π and becomes anisotropic at relatively large P. From the finite-energy touching points we have identified those located at zero wave-number. It was shown that for these finite-energy touching points the dispersion is direction-dependent in the sense that it is linear or parabolic in the direction parallel or perpendicular to the superlattice direction, respectively. We have also calculated the density of states and the conductivity which demonstrates a manifestation of the touching points examined. (paper)

  14. GeAs and SiAs monolayers: Novel 2D semiconductors with suitable band structures

    Science.gov (United States)

    Zhou, Liqin; Guo, Yu; Zhao, Jijun

    2018-01-01

    Two dimensional (2D) materials provide a versatile platform for nanoelectronics, optoelectronics and clean energy conversion. Based on first-principles calculations, we propose a novel kind of 2D materials - GeAs and SiAs monolayers and investigate their atomic structure, thermodynamic stability, and electronic properties. The calculations show that monolayer GeAs and SiAs sheets are energetically and dynamically stable. Their small interlayer cohesion energies (0.191 eV/atom for GeAs and 0.178 eV/atom for SiAs) suggest easy exfoliation from the bulk solids that exist in nature. As 2D semiconductors, GeAs and SiAs monolayers possess band gap of 2.06 eV and 2.50 eV from HSE06 calculations, respectively, while their band gap can be further engineered by the number of layers. The relatively small and anisotropic carrier effective masses imply fast electric transport in these 2D semiconductors. In particular, monolayer SiAs is a direct gap semiconductor and a potential photocatalyst for water splitting. These theoretical results shine light on utilization of monolayer or few-layer GeAs and SiAs materials for the next-generation 2D electronics and optoelectronics with high performance and satisfactory stability.

  15. Band edge electronic structure of transition metal/rare earth oxide dielectrics

    Science.gov (United States)

    Lucovsky, Gerald

    2006-10-01

    This article addresses band edge electronic structure of transition metal/rare earth (TM/RE) non-crystalline and nano-crystalline elemental and complex oxide high- k dielectrics for advanced semiconductor devices. Experimental approaches include X-ray absorption spectroscopy (XAS) from TM, RE and oxygen core states, photoconductivity (PC), and visible/vacuum ultra-violet (UV) spectroscopic ellipsometry (SE) combined with ab initio theory is applied to small clusters. These measurements are complemented by Fourier transform infra-red absorption (FTIR), X-ray photoelectron spectroscopy (XPS), high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD). Two issues are highlighted: Jahn-Teller term splittings that remove d-state degeneracies of states at the bottom of the conduction band, and chemical phase separation and crystallinity in Zr and Hf silicates and ternary (Zr(Hf)O 2) x(Si 3N 4) y(SiO 2) 1- x- y alloys. Engineering solutions for optimization of both classes of high- k dielectric films, including limits imposed on the continued and ultimate scaling of the equivalent oxide thickness (EOT) are addressed.

  16. First-principles energy band calculation for CaBi{sub 2}O{sub 4} with monoclinic structure

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, Hiroyuki; Ishii, Shin' ichirou [Integrated Arts and Science, Kitakyushu National College of Technology, 5-20-1 Shii, Kokuraminami-ku, Kitakyushu 802-0985 (Japan); Yamada, Kenji [Department of Materials Science and Chemical Engineering, Kitakyushu National College of Technology, 5-20-1 Shii, Kokuraminami-ku, Kitakyushu 802-0985 (Japan); Matsushima, Shigenori, E-mail: smatsu@kct.ac.jp [Department of Materials Science and Chemical Engineering, Kitakyushu National College of Technology, 5-20-1 Shii, Kokuraminami-ku, Kitakyushu 802-0985 (Japan); Arai, Masao [Computational Materials Science Center (CMSC), National Institute of Materials Science (NIMS), 1-1 Namiki, Tsukuba 305-0044 (Japan); Kobayashi, Kenkichiro [Department of Materials Science, Shizuoka University, 3-5-1 Johoku, Hamamatsu 432-8011 (Japan)

    2010-05-15

    The electronic structure of CaBi{sub 2}O{sub 4} is calculated by a GGA approach. The valence band maximum is approximately located at the {Gamma}-point or the Y-point and the conduction band minimum at the V-point. This means that CaBi{sub 2}O{sub 4} is an indirect energy gap material. The conduction band is composed of Bi 6p-O 2p interaction. On the other hand, the valence band can be divided into two energy regions ranging from -9.92 to -7.40 eV (lower valence band) and -4.69 to 0 eV (upper valence band). The former is mainly constructed from Bi 6s states interacting slightly with O 2s and 2p states, and the latter consists of O 2p states hybridizing with Bi 6s and 6p states. The states near the valence band maximum are strongly localized and the mobility of holes generated by band gap excitation is predicted to be fairly low.

  17. Ku to V-band 4-bit MEMS phase shifter bank using high isolation SP4T switches and DMTL structures

    Science.gov (United States)

    Dey, Sukomal; Koul, Shiban K.; Poddar, Ajay K.; Rohde, Ulrich L.

    2017-10-01

    This work presents a micro-electro-mechanical system (MEMS) based on a wide-band 4-bit phase shifter using two back-to-back single-pole-four-throw (SP4T) switches and four different distributed MEMS transmission line (DMTL) structures that are implemented on 635 µm alumina substrate using surface micromachining process. An SP4T switch is designed with a series-shunt configuration and it demonstrates an average return loss of  >17 dB, an insertion loss of  28 dB up to 60 GHz. A maximum area of the SP4T switch is ~0.76 mm2. Single-pole-single-throw and SP4T switches are capable of handling 1 W of radio frequency (RF) power up to  >100 million cycles at 25° C; they can even sustained up to  >70 million cycles with 1 W at 85 °C. The proposed wide-band phase shifter works at 17 GHz (Ku-band), 25 GHz (K-band), 35 GHz (Ka-band) and 60 GHz (V-band) frequencies. Finally,a 4-bit phase shifter demonstrates an average insertion loss of  10 dB and maximum phase error of ~3.8° at 60 GHz frequency over 500 MHz bandwidth. Total area of the fabricated device is ~11 mm2. In addition, the proposed device works well up to  >107 cycles with 1 W of RF power. To the best of the author’s knowledge, this is the best reported wide-band MEMS 4-bit phase shifter in the literature that works with a constant resolution.

  18. High-gradient experiment on X-band disk-loaded structures

    International Nuclear Information System (INIS)

    Higo, T.; Taniuchi, T.; Yamamoto, M.; Odagiri, J.; Tokumoto, S.; Mizuno, H.; Takata, K.; Wilson, I.; Wuensch, W.

    1993-09-01

    The high-gradient performance of two travelling-wave X-band accelerating structures 20 cm long has been studied. One of the structures, KEK, was conditioned up to an average accelerating gradient (Eav) of 68 MV/m in 600 hours, while the other, CERN, reached 85 MV/m in 50 hours. In the latter case the maximum output power was fed from the SLED system and the maximum field inside the structure was 138 MV/m. This maximum level was limited by the available power from the klystron. Operation at the Eav=50 MV/m level was found to be stable for both structures. The associated dark current at this level was less than a few μA for CERN but 20 to 30 μA for KEK. Since the two electrical designs are almost the same the difference in dark current must be attributed to the difference in the two fabrication techniques. Modified Fowler-Northeim plots of downstream dark current showed a change of slope, a kink, around 50 to 60 MV/m above which the field enhancement factor was substantially increased. (author)

  19. High-gradient breakdown studies of an X-band Compact Linear Collider prototype structure

    Directory of Open Access Journals (Sweden)

    Xiaowei Wu

    2017-05-01

    Full Text Available A Compact Linear Collider prototype traveling-wave accelerator structure fabricated at Tsinghua University was recently high-gradient tested at the High Energy Accelerator Research Organization (KEK. This X-band structure showed good high-gradient performance of up to 100  MV/m and obtained a breakdown rate of 1.27×10^{−8} per pulse per meter at a pulse length of 250 ns. This performance was similar to that of previous structures tested at KEK and the test facility at the European Organization for Nuclear Research (CERN, thereby validating the assembly and bonding of the fabricated structure. Phenomena related to vacuum breakdown were investigated and are discussed in the present study. Evaluation of the breakdown timing revealed a special type of breakdown occurring in the immediately succeeding pulse after a usual breakdown. These breakdowns tended to occur at the beginning of the rf pulse, whereas usual breakdowns were uniformly distributed in the rf pulse. The high-gradient test was conducted under the international collaboration research program among Tsinghua University, CERN, and KEK.

  20. Homogeneity of Surface Sites in Supported Single-Site Metal Catalysts: Assessment with Band Widths of Metal Carbonyl Infrared Spectra.

    Science.gov (United States)

    Hoffman, Adam S; Fang, Chia-Yu; Gates, Bruce C

    2016-10-06

    Determining and controlling the uniformity of isolated metal sites on surfaces of supports are central goals in investigations of single-site catalysts because well-defined species provide opportunities for fundamental understanding of the surface sites. CO is a useful probe of surface metal sites, often reacting with them to form metal carbonyls, the infrared spectra of which provide insights into the nature of the sites and the metal-support interface. Metals bonded to various support surface sites give broad bands in the spectra, and when narrow bands are observed, they indicate a high degree of uniformity of the metal sites. Much recent work on single-site catalysts has been done with supports that are inherently nonuniform, giving supported metal species that are therefore nonuniform. Herein we summarize values of ν CO data characterizing supported iridium gem-dicarbonyls, showing that the most nearly uniform of them are those supported on zeolites and the least uniform are those supported on metal oxides. Guided by ν CO data of supported iridium gem-dicarbonyls, we have determined new, general synthesis methods to maximize the degree of uniformity of iridium species on zeolites and on MgO. We report results for a zeolite HY-supported iridium gem-dicarbonyl with full width at half-maximum values of only 4.6 and 5.2 cm -1 characterizing the symmetric and asymmetric CO stretches and implying that this is the most nearly uniform supported single-site metal catalyst.

  1. Electron band bending of polar, semipolar and non-polar GaN surfaces

    Czech Academy of Sciences Publication Activity Database

    Bartoš, Igor; Romanyuk, Olexandr; Houdková, Jana; Paskov, P.P.; Paskova, T.; Jiříček, Petr

    2016-01-01

    Roč. 119, č. 10 (2016), 1-7, č. článku 105303. ISSN 0021-8979 R&D Projects: GA ČR GA15-01687S Grant - others:AVČR(CZ) M100101201 Institutional support: RVO:68378271 Keywords : GaN * XPS * band bending Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.068, year: 2016

  2. Fine structure and energy spectrum of exciton in direct band gap cubic semiconductors with degenerate valence bands

    International Nuclear Information System (INIS)

    Nguyen Toan Thang; Nguyen Ai Viet; Nguyen Que Huong

    1987-06-01

    The influence of the cubic structure on the energy spectrum of direct exciton is investigated, using the new method suggested by Nguyen Van Hieu and co-workers. Explicit expressions of the exciton energy levels 1S, 2S and 2P are derived. A comparison with the experiments and the other theory is done for ZnSe. (author). 10 refs, 1 fig., 2 tabs

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. Mining single-electron spectra of the interface states from a supercell band structure of silicene on an Ag (111 ) substrate with band-unfolding methodology

    Science.gov (United States)

    Iwata, Jun-Ichi; Matsushita, Yu-ichiro; Nishi, Hirofumi; Guo, Zhi-Xin; Oshiyama, Atsushi

    2017-12-01

    We develop a new position-resolved band-unfolding method based on the density functional theory to clarify the single-electron energy spectrum of (3 ×3 ) silicene on Ag (111 ) substrate. The position-resolved scheme enables us to clarify each contribution from each spatial region to the single-electron spectrum, which facilitates the chemical identification of each electron state. We find interface states which are distributed in the region of silicene and top two layers of the Ag substrate near the Fermi level and also below the Fermi level. The states are unique in silicene on a substrate in the sense that they are mixtures of Si and Ag orbitals. The obtained electronic structure near the Fermi level is interesting, featuring a hyperbolic-paraboloid-shaped energy band which leads to 12 Dirac-like cones at the boundary of the primitive Brillouin zone of Ag (111 ) . Characteristics of measured photoemission spectra are satisfactorily explained by the obtained unfolded bands.

  8. The Dynamics and Structures of Adsorbed Surfaces

    DEFF Research Database (Denmark)

    Nielsen, M; Ellenson, W. D.; McTague, J. P.

    1978-01-01

    Reviews neutron scattering work performed on films of simple gas atoms and molecules adsorbed primarily on graphite surfaces. Exfoliated graphite substrates such as Grafoil were first used in this kind of measurements about five years ago and new results have been reported at an increasing pace....... Elastic neutron diffraction measurements, determining the two-dimensional structural ordering of the adsorbed films, have been performed on layers of N2, Ar, H2, D2, O2, Kr, and He. Measurements on layers of larger molecules such as CD4 and ND3 have also been reported. Inelastic neutron scattering...... of molecules such as NH3 or the internal modes of adsorbed molecules such as C4H10. Neutron scattering measurements where substrates other than graphite products are used as the adsorbents will not be reviewed here. However, the power of the technique will be demonstrated in an example of H2 physisorbed...

  9. Lunar surface structural concepts and construction studies

    Science.gov (United States)

    Mikulas, Martin

    The topics are presented in viewgraph form and include the following: lunar surface structures construction research areas; lunar crane related disciplines; shortcomings of typical mobile crane in lunar base applications; candidate crane cable suspension systems; NIST six-cable suspension crane; numerical example of natural frequency; the incorporation of two new features for improved performance of the counter-balanced actively-controlled lunar crane; lunar crane pendulum mechanics; simulation results; 1/6 scale lunar crane testbed using GE robot for global manipulation; basic deployable truss approaches; bi-pantograph elevator platform; comparison of elevator platforms; perspective of bi-pantograph beam; bi-pantograph synchronously deployable tower/beam; lunar module off-loading concept; module off-loader concept packaged; starburst deployable precision reflector; 3-ring reflector deployment scheme; cross-section of packaged starburst reflector; and focal point and thickness packaging considerations.

  10. THERMAL TOMOGRAPHY OF ASTEROID SURFACE STRUCTURE

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Alan W.; Drube, Line, E-mail: alan.harris@dlr.de [German Aerospace Center (DLR) Institute of Planetary Research, Rutherfordstrasse 2, D-12489 Berlin (Germany)

    2016-12-01

    Knowledge of the surface thermal inertia of an asteroid can provide insight into its surface structure: porous material has a lower thermal inertia than rock. We develop a means to estimate thermal inertia values of asteroids and use it to show that thermal inertia appears to increase with spin period in the case of main-belt asteroids (MBAs). Similar behavior is found on the basis of thermophysical modeling for near-Earth objects (NEOs). We interpret our results in terms of rapidly increasing material density and thermal conductivity with depth, and provide evidence that thermal inertia increases by factors of 10 (MBAs) to 20 (NEOs) within a depth of just 10 cm. Our results are consistent with a very general picture of rapidly changing material properties in the topmost regolith layers of asteroids and have important implications for calculations of the Yarkovsky effect, including its perturbation of the orbits of potentially hazardous objects and those of asteroid family members after the break-up event. Evidence of a rapid increase of thermal inertia with depth is also an important result for studies of the ejecta-enhanced momentum transfer of impacting vehicles (“kinetic impactors”) in planetary defense.

  11. Protein-mediated surface structuring in biomembranes

    Directory of Open Access Journals (Sweden)

    Maggio B.

    2005-01-01

    Full Text Available The lipids and proteins of biomembranes exhibit highly dissimilar conformations, geometrical shapes, amphipathicity, and thermodynamic properties which constrain their two-dimensional molecular packing, electrostatics, and interaction preferences. This causes inevitable development of large local tensions that frequently relax into phase or compositional immiscibility along lateral and transverse planes of the membrane. On the other hand, these effects constitute the very codes that mediate molecular and structural changes determining and controlling the possibilities for enzymatic activity, apposition and recombination in biomembranes. The presence of proteins constitutes a major perturbing factor for the membrane sculpturing both in terms of its surface topography and dynamics. We will focus on some results from our group within this context and summarize some recent evidence for the active involvement of extrinsic (myelin basic protein, integral (Folch-Lees proteolipid protein and amphitropic (c-Fos and c-Jun proteins, as well as a membrane-active amphitropic phosphohydrolytic enzyme (neutral sphingomyelinase, in the process of lateral segregation and dynamics of phase domains, sculpturing of the surface topography, and the bi-directional modulation of the membrane biochemical reactivity.

  12. 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.

  13. 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

    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 applica...

  14. 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.

  15. Influence from Polarized Galactic Background Noise on L-band Measurements of the Sea Surface Salinity

    DEFF Research Database (Denmark)

    Søbjærg, Sten Schmidl; Skou, Niels

    2004-01-01

    The polarimetric EMIRAD radiometer, based on novel digital down conversion and detection techniques, has been installed on a C-130 aircraft from the Royal Danish. Air Force during the L-band Ocean Salinity Airborne Campaign (LOSAC) in 2001 and 2003. Full 360° circle flight patterns around the same...... target area as well as clover leaf patterns have been measured, and both provide an azimuth signature of the ocean at a constant incidence angle. The resulting azimuth signatures show significant variations in all the three first Stokes parameters, and a correlation is found between the downwelling...

  16. Surface and interface electronic structure: Three year activity report

    International Nuclear Information System (INIS)

    Kevan, S.D.

    1992-01-01

    The 3-year activity report covers surface structure and phonon anomalies (surface reconstruction on W(001) and Mo(001), adsorbate lateral ordering, surface Fermi contours and phonon anomalies on Pt(111) and Pd(001)), adsorbate vibrational damping, charge transfer in momentum space: W(011)-K, surface states and resonances (relativistic effects ampersand computations, surface resonances)

  17. The Impact of the Spectral Band Number and Width on the Oil Pollution Diagnostics on Earth Surface by Laser Fluorescence Method

    Directory of Open Access Journals (Sweden)

    Yu. V. Fedotov

    2017-01-01

    Full Text Available Using the remote sensing methods is the most promising for day-to-day control of oil pollution. The laser-induced fluorescence method provides efficient detection and classification of oil pollutions. To monitor oil pollutions on the earth surface is more complicated than on the water one because of lower fluorescence intensity and interfering fluorescence of natural objects available on the earth surface.Properties of oil pollution classifiers depend largely on the number and positions of spectral bands of fluorescence registration. Reducing the number of spectral bands allows us to diminish computation complexity and cost of equipment. In some cases the reduction increases classification accuracy. The number of spectral bands can be reduced through increasing their width.The paper presents mathematical modeling of oil pollution detection and classification. The experimentally obtained fluorescence spectra of oil pollutions on different substrates were used as input data. The k-nearest neighbors algorithm was used to detect and classify oil pollutions. Cross validation was applied in mathematical modeling.The mathematical modeling results have shown that for oil pollutions detection using over 8 spectral bands (band width less than 50 nm a classification error rate does not depend on the further increasing number of the spectral bands.As to the type classification of oil pollutions (4 classes, an increasing width of the spectral bands up to 60 nm (the number of spectral bands reduced up 7 does not lead to a significantly decreasing overall classification accuracy.In the case of the sort classification of oil pollutions (8 classes a local maximum of the overall accuracy has been observed at 25-30 nm width of the spectral band (14-16 spectral bands. The spectral resolution improvement (increasing the number of bands does give an essentially increasing accuracy.The paper has shown that to detect and classify oil pollutions on the earth surface

  18. Bi4TaO8Cl Nano-Photocatalyst: Influence of Local, Average, and Band Structure.

    Science.gov (United States)

    Bhat, Swetha S M; Swain, Diptikanta; Feygenson, Mikhail; Neuefeind, Joerg C; Mishra, Abhishek K; Hodala, Janardhan L; Narayana, Chandrabhas; Shanbhag, Ganapati V; Sundaram, Nalini G

    2017-05-15

    The average structure, local structure, and band structure of nanoparticles of photocatalyst Bi 4 TaO 8 Cl, an Aurivillius-Sillen layered material, has been studied by powder neutron Rietveld refinement, neutron pair distribution function technique, Raman scattering, and density functional theory calculations. A significant local structural deviation of nano-Bi 4 TaO 8 Cl was established in contrast to the local structure of bulk-Bi 4 TaO 8 Cl. Local structure was further supported by Raman scattering measurements. Through DFT calculations, we identify specific features in the electronic band structure that correlate lower secondary structural distortions in nano-Bi 4 TaO 8 Cl. Increased distortion of TaO 6 , decreased Ta-O-Ta bond angle, and increased octahedral tilt in the local structure of nano-Bi 4 TaO 8 Cl influence the band structure and the electron hole pair migration. Therefore, in addition to morphology and size, the local structure of a nanomaterial contributes to the photocatalytic performance. Trapping experiments confirm the role of superoxide radical in the photocatalysis mechanism of this material. Such studies help in developing new functional materials with better photocatalytic efficiency to address energy and environmental issues.

  19. Band selection and disentanglement using maximally localized Wannier functions: the cases of Co impurities in bulk copper and the Cu(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Korytar, Richard; Pruneda, Miguel; Ordejon, Pablo; Lorente, Nicolas [Centre d' Investigacio en Nanociencia i Nanotecnologia (CSIC-ICN), Campus de la UAB, E-08193 Bellaterra (Spain); Junquera, Javier, E-mail: rkorytar@cin2.e [Departamento de Ciencias de la Tierra y Fisica de la Materia Condensada, Universidad de Cantabria, E-39005 Santander (Spain)

    2010-09-29

    We have adapted the maximally localized Wannier function approach of Souza et al (2002 Phys. Rev. B 65 035109) to the density functional theory based SIESTA code (Soler et al 2002 J. Phys.: Condens. Mater. 14 2745) and applied it to the study of Co substitutional impurities in bulk copper as well as to the Cu(111) surface. In the Co impurity case, we have reduced the problem to the Co d-electrons and the Cu sp-band, permitting us to obtain an Anderson-like Hamiltonian from well defined density functional parameters in a fully orthonormal basis set. In order to test the quality of the Wannier approach to surfaces, we have studied the electronic structure of the Cu(111) surface by again transforming the density functional problem into the Wannier representation. An excellent description of the Shockley surface state is attained, permitting us to be confident in the application of this method to future studies of magnetic adsorbates in the presence of an extended surface state.

  20. Bomb-test 90Sr in Pacific and Indian Ocean surface water as recorded by banded corals

    International Nuclear Information System (INIS)

    Toggweiler, J.R.; Trumbore, S.

    1985-01-01

    We report here measurements of bomb-test 90 Sr activity in the CaCO 3 skeletons of banded head forming corals collected from nine locations in the tropical Pacific and Indian Oceans. Density variations in skeletal carbonate demarcate annual growth bands and allow one to section individual years. Measurements of 90 Sr activity in the annual bands reconstruct the activity of the water in which the coral grew. Our oldest records date to the early years of the nuclear era and record not only fallout deposition from the major U.S. and Soviet tests of 1958-1962, but also the huge, and largely unappreciated, localized inputs from the U.S. tests at Eniwetok and Bikini atolls during 1952-1958. In the 1960's the 90 Sr activity in Indian Ocean surface water was twice as high as activity levels in the South Pacific at comparable latitudes. We suggest that substantial amounts of northern hemisphere fallout moved west and south into the Indian Ocean via passages through the Indonesian archipelago. Equatorial Pacific 90 Sr levels have remained relatively constant from the mid 1960's through the end of 1970's in spite of 90 Sr decay, reflecting a large-scale transfer of water between the temperate and tropical North Pacific. Activity levels at Fanning Is. (4 0 N, 160 0 W) appear to vary in conjunction with the 3-4 year El Nino cycle. (orig.)

  1. Absolute band structure determination on naturally occurring rutile with complex chemistry: Implications for mineral photocatalysis on both Earth and Mars

    Science.gov (United States)

    Li, Yan; Xu, Xiaoming; Li, Yanzhang; Ding, Cong; Wu, Jing; Lu, Anhuai; Ding, Hongrui; Qin, Shan; Wang, Changqiu

    2018-05-01

    Rutile is the most common and stable form of TiO2 that ubiquitously existing on Earth and other terrestrial planets like Mars. Semiconducting mineral such as rutile-based photoredox reactions have been considered to play important roles in geological times. However, due to the inherent complexity in chemistry, the precision determination on band structure of natural rutile and the theoretical explanation on its solar-driven photochemistry have been hardly seen yet. Considering the multiple minor and trace elements in natural rutile, we firstly obtained the single-crystal crystallography, mineralogical composition and defects characteristic of the rutile sample by using both powder and single crystal X-ray diffraction, electron microprobe analysis and X-ray photoelectron spectroscopy. Then, the band gap was accurately determined by synchrotron-based O K-edge X-ray absorption and emission spectra, which was firstly applied to natural rutile due to its robustness on compositions and defects. The absolute band edges of the rutile sample was calculated by considering the electronegativity of the atoms, band gap and point of zero charge. Besides, after detecting the defect energy levels by photoluminescence spectra, we drew the schematic band structure of natural rutile. The band gap (2.7 eV) of natural rutile was narrower than that of synthetic rutile (3.0 eV), and the conduction and valence band edges of natural rutile at pH = pHPZC were determined to be -0.04 V and 2.66 V (vs. NHE), respectively. The defect energy levels located at nearly the middle position of the forbidden band. Further, we used theoretical calculations to verify the isomorphous substitution of Fe and V for Ti gave rise to the distortion of TiO6 octahedron and created vacancy defects in natural rutile. Based on density functional theory, the narrowed band gap was interpreted to the contribution of Fe-3d and V-3d orbits, and the defect energy state was formed by hybridization of O-2p and Fe/V/Ti-3d

  2. A Novel Low-cost, Ka-band, High Altitude, Multi-Baseline Unmanned Aerial Vehicle Sensor for Surface Water Ocean Topography, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal presents the Ka-band SWOT Phenomenology Airborne Radar (KaSPAR) to support the surface water ocean topography (SWOT) mission for science and algorithm...

  3. Band Structure and Optical Properties of Ordered AuCu3

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Lengkeek, H. P.

    1979-01-01

    The optical spectra of ordered AuCu3 have been measured at low temperatures by a direct ellipsometric technique. We find several structural elements above the absorption edge as well as in the infrared. The measured spectra are interpreted in terms of the interband absorption calculated from an a...... with experiment. The Fermi surface is presented and is found to originate mainly in copper 4s and 4p states....

  4. On the structure of Si(100) surface

    DEFF Research Database (Denmark)

    Back, Seoin; Schmidt, Johan Albrecht; Ji, Hyunjun

    2013-01-01

    We revisit a dangling theoretical question of whether the surface reconstruction of the Si(100) surface would energetically favor the symmetric or buckled dimers on the intrinsic potential energy surfaces at 0 K. This seemingly simple question is still unanswered definitively since all existing...... of the electron-electron correlation as well as proper multireference wave functions when exploring the extremely delicate potential energy surfaces of the reconstructed Si(100) surface. (C) 2013 AIP Publishing LLC....

  5. Oversized 250 GHz Traveling Wave Tube with a Photonic Band-Gap Structure

    Science.gov (United States)

    Rosenzweig, Guy; Shapiro, Michael A.; Temkin, Richard J.

    2017-10-01

    The challenge in manufacturing traveling wave tubes (TWTs) at high frequencies is that the sizes of the structures scale with, and are much smaller than, the wavelength. We have designed and are building a 250 GHz TWT that uses an oversized structure to overcome fabrication and power handling issues that result from the small dimensions. Using a photonic band-gap (PBG) structure, we succeeded to design the TWT with a beam tunnel diameter of 0.72 mm. The circuit consists of metal plates with the beam tunnel drilled down their center. Twelve posts are protruding on one side of each plate in a triangular array and corresponding sockets are drilled on the other side. The posts of each plate are inserted into the sockets of an adjacent plate, forming a PBG lattice. The vacuum spacing between adjacent plates forms the `PBG cavity''. The full structure is a series of PBG coupled cavities, with microwave power coupling through the beam tunnel. The PBG lattice provides confinement of microwave power in each of the cavities and can be tuned to give the right amount of diffraction per cavity so that no sever is needed to suppress oscillations in the operating mode. CST PIC simulations predict over 38 dB gain with 67 W peak power, using a 30 kV, 310 mA electron beam, 0.6 mm in diameter. Research supported by the AFOSR Program on Plasma and Electro-Energetic Physics and by the NIH National Institute of Biomedical Imaging and Bioengineering.

  6. Electronic states and band alignment in GalnNAs/GaAs quantum-well structures with low nitrogen content

    Science.gov (United States)

    Hetterich, M.; Dawson, M. D.; Egorov, A. Yu.; Bernklau, D.; Riechert, H.

    2000-02-01

    We investigate the electronic states in strained Ga0.62In0.38N0.015As0.985/GaAs multiple- quantum-well structures using photoluminescence and (polarized) photoluminescence excitation measurements at low temperature. From a theoretical fit to the experimental data, a type-I band alignment for the heavy holes with a strained conduction-band offset ratio of about 80% is obtained, while the light holes show an approximately flat band alignment. Additionally, our results suggest an increased effective electron mass in GaInNAs, possibly due to the interaction of the conduction band with nitrogen-related resonant states, an observation prospectively of benefit for GaInNAs-based diode lasers.

  7. SIMULATION OF THE Ku-BAND RADAR ALTIMETER SEA ICE EFFECTIVE SCATTERING SURFACE

    DEFF Research Database (Denmark)

    Tonboe, Rasmus; Andersen, Søren; Pedersen, Leif Toudal

    2006-01-01

    A radiative transfer model is used to simulate the sea ice radar altimeter effective scattering surface variability as a function of snow depth and density. Under dry snow conditions without layering these are the primary snow parameters affecting the scattering surface variability. The model...... is initialised with in situ data collected during the May 2004 GreenIce ice camp in the Lincoln Sea (73ºW; 85ºN). Our results show that the snow cover is important for the effective scattering surface depth in sea ice and thus for the range measurement, ice freeboard and ice thickness estimation....

  8. Optical properties and band structure of atomically thin MoS2

    Science.gov (United States)

    Shan, Jie; Mak, Kin Fai; Lee, Changgu; Hone, James; Heinz, Tony

    2010-03-01

    Atomically thin layers of materials can be expected to exhibit distinct electronic structure and novel properties compared to their bulk counterparts. Layered compounds, for which stable atomically thin samples can be produced, are ideal candidates for such studies. Graphene, a monolayer slice of the graphite crystal, is an illustrative example of both the stability and of the interest and importance of such materials. Here we report a study of thin layers of MoS2, a hexagonal layered bulk semiconductor with an indirect band gap of 1.3 eV. MoS2 samples with layer thickness N down to a monolayer were obtained by mechanical exfoliation. We observed an enhancement of the luminescence quantum yield by more than a factor of 100 in monolayer MoS2 compared to the bulk material. The combination of absorption, photoluminescence, and photoconductivity measurements indicates that a transition to a direct-gap material occurs in the limit of the single MoS2 layer. This result is supported by an earlier first-principles calculation [J. Phys. Chem. C 2007, 111, 16192]. Further, by varying the thickness of the samples, we were able to probe the evolution of the electronic structure for N = 1 -- 6 layers.

  9. Band structure of cavity-type hypersonic phononic crystals fabricated by femtosecond laser-induced two-photon polymerization

    Energy Technology Data Exchange (ETDEWEB)

    Rakhymzhanov, A. M.; Utegulov, Z. N., E-mail: zhutegulov@nu.edu.kz, E-mail: fytas@mpip-mainz.mpg.de [Department of Physics, School of Science and Technology, Nazarbayev University, Astana 010000 (Kazakhstan); Optics Laboratory, National Laboratory Astana, Nazarbayev University, Astana 10000 (Kazakhstan); Gueddida, A. [Institut d' Electronique, Microélectronique et Nanotechnologie, 59650 Villeneuve d' Ascq (France); LPMR, Département de Physique, Faculté des Sciences, Université Mohamed I, 60000 Oujda (Morocco); Alonso-Redondo, E. [Max Planck Institute of Polymer Research, Ackermannweg 10, 55128 Mainz (Germany); Perevoznik, D.; Kurselis, K. [Laser Zentrum Hannover e.V., 30419 Hannover (Germany); Chichkov, B. N. [Laser Zentrum Hannover e.V., 30419 Hannover (Germany); Institute of Laser and Information Technologies RAS, Moscow, 142092 Troitsk (Russian Federation); El Boudouti, E. H. [LPMR, Département de Physique, Faculté des Sciences, Université Mohamed I, 60000 Oujda (Morocco); Djafari-Rouhani, B. [Institut d' Electronique, Microélectronique et Nanotechnologie, 59650 Villeneuve d' Ascq (France); Fytas, G., E-mail: zhutegulov@nu.edu.kz, E-mail: fytas@mpip-mainz.mpg.de [Max Planck Institute of Polymer Research, Ackermannweg 10, 55128 Mainz (Germany); Department of Materials Science, University of Crete and FORTH, 71110 Heraklion (Greece)

    2016-05-16

    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. An Algorithm for Surface Current Retrieval from X-band Marine Radar Images

    Directory of Open Access Journals (Sweden)

    Chengxi Shen

    2015-06-01

    Full Text Available In this paper, a novel current inversion algorithm from X-band marine radar images is proposed. The routine, for which deep water is assumed, begins with 3-D FFT of the radar image sequence, followed by the extraction of the dispersion shell from the 3-D image spectrum. Next, the dispersion shell is converted to a polar current shell (PCS using a polar coordinate transformation. After removing outliers along each radial direction of the PCS, a robust sinusoidal curve fitting is applied to the data points along each circumferential direction of the PCS. The angle corresponding to the maximum of the estimated sinusoid function is determined to be the current direction, and the amplitude of this sinusoidal function is the current speed. For validation, the algorithm is tested against both simulated radar images and field data collected by a vertically-polarized X-band system and ground-truthed with measurements from an acoustic Doppler current profiler (ADCP. From the field data, it is observed that when the current speed is less than 0.5 m/s, the root mean square differences between the radar-derived and the ADCP-measured current speed and direction are 7.3 cm/s and 32.7°, respectively. The results indicate that the proposed procedure, unlike most existing current inversion schemes, is not susceptible to high current speeds and circumvents the need to consider aliasing. Meanwhile, the relatively low computational cost makes it an excellent choice in practical marine applications.

  11. 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

    and 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...... show a similar trend. It is suggested that the large variation in the band gaps determined on samples grown in different laboratories is caused by different degrees of In clustering....

  12. 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...... (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....

  13. Surface Clutter Suppression Techniques Applied to P-band Multi-Channel SAR Ice Sounder Data from East Antarctica

    DEFF Research Database (Denmark)

    Lin, Chung-Chi; Bekaert, David; Gebert, Nicolas

    Radar ice sounding allows for the retrieval of ice depth and provides information on ba-sal topography, basal conditions, flow, and layering. In the prospect of a possible future satellite ice sounding mission, surface clutters are expected to severely hamper measurement of radar ech-oes from...... the depth due to the unfavourable observation geometry. Synthetic aperture radar (SAR) processing enables to attenuate surface clutters in the forward and backward directions, but not in the across-track directions. Thus, additional across-track clutter cancellation is a crucial step for extracting weaker...... subsurface radar echoes. ESA’s P-band POLarimetric Airborne Radar Ice Sounder (POLARIS), recently upgraded with a larger antenna of 4 m length, enables simultaneous reception of up to 4 sub-aperture channels in across-track. Laboratory of Electromagnetics and Acoustics of Swiss Fed. Institute of Tech...

  14. The dynamics and structures of adsorbed surfaces

    International Nuclear Information System (INIS)

    Nielsen, M.; Ellenson, W.D.; McTague, J.P.

    1978-01-01

    This article reviews neutron scattering work performed on films of simple gas atoms and molecules adsorbed primarily on graphite surfaces. Exfoliated graphite substrates such as Grafoil were first used in this kind of measurements about five years ago and new results have been reported at an increasing pace. Elastic neutron diffraction measurements, determining the two-dimensional structural ordering of the adsorbed films, have been performed on layers of N 2 , Ar, H 2 , D 2 , O 2 , Kr, and He. Measurements on layers of larger molecules such as CD 4 and ND 3 have been reported very recently. Inelastic neutron scattering measurements, studying the dynamics of the adsorbed films are only possible in a few especially favourable cases such as 36 Ar and D 2 films, where the coherent phonon scattering cross-sections are very large. In other cases incoherent scattering from hydrogen can give information about e.g. the mobility of molecules such as NH 3 or the internal modes of adsorbed molecules such as C 4 H 10 . Neutron scattering measurements where substrates other than graphite products are used as the adsorbents will not be reviewed here. However, the power of the technique will be demonstrated in an example of H 2 physisorbed to activated alumina and in an example where hydrogen is chemisorbed to Raney nickel. (author)

  15. Surface sensing behavior and band edge properties of AgAlS2: Experimental observations in optical, chemical, and thermoreflectance spectroscopy

    Directory of Open Access Journals (Sweden)

    Ching-Hwa Ho

    2012-06-01

    Full Text Available Optical examination of a chaocogenide compound AgAlS2 which can spontaneously transfer to a AgAlO2 oxide has been investigated by thermoreflectance (TR spectroscopy herein. The single crystals of AgAlS2 were grown by chemical vapor transport (CVT method using ICl3 as a transport agent sealed in evacuated quartz tubes. The as-grown AgAlS2 crystals essentially possess a transparent and white color in vacuum. The crystal surface of AgAlS2 becomes darkened and brownish when putting AgAlS2 into atmosphere for reacting with water vapor or hydrogen gas. Undergoing the chemical reaction process, oxygen deficient AgAlO2-2x with brownish and reddish-like color on surface of AgAlS2 forms. The transition energy of deficient AgAlO2-2x was evaluated by TR experiment. The value was determined to be ∼2.452 eV at 300 K. If the sample is kept dry and moved away from moisture, AgAlS2 crystal can stop forming more deficient AgAlO2-2x surface oxides. The experimental TR spectra for the surface-reacted sample show clearly two transition features at EW=2.452 eV for deficient AgAlO2-2x and EU=3.186 eV for AgAlS2, respectively. The EU transition belongs to direct band-edge exciton of AgAlS2. Alternatively, for surface-oxidation process of AgAlS2 lasting for a long time, a AgAlO2 crystal with yellowish color will eventually form. The TR measurements show mainly a ground-state band edge exciton of E OX 1 detected for AgAlO2. The energy was determined to be E OX 1=2.792 eV at 300 K. The valence-band electronic structure of AgAlS2 has been detailed characterized using polarized-thermoreflectance (PTR measurements in the temperature range between 30 and 340 K. Physical chemistry behaviors of AgAlS2 and AgAlO2 have been comprehensively studied via detailed analyses of PTR and TR spectra. Based on the experimental analyses, optical and chemical behaviors of the AgAlS2 crystals under atmosphere are realized. A possible optical-detecting scheme for using AgAlS2 as a humidity

  16. Investigation of electronic band structure and charge transfer mechanism of oxidized three-dimensional graphene as metal-free anodes material for dye sensitized solar cell application

    Science.gov (United States)

    Loeblein, Manuela; Bruno, Annalisa; Loh, G. C.; Bolker, Asaf; Saguy, Cecile; Antila, Liisa; Tsang, Siu Hon; Teo, Edwin Hang Tong

    2017-10-01

    Dye-sensitized solar cells (DSSCs) offer an optimal trade-off between conversion-efficiency and low-cost fabrication. However, since all its electrodes need to fulfill stringent work-function requirements, its materials have remained unchanged since DSSC's first report early-90s. Here we describe a new material, oxidized-three-dimensional-graphene (o-3D-C), with a band gap of 0.2 eV and suitable electronic band-structure as alternative metal-free material for DSSCs-anodes. o-3D-C/dye-complex has a strong chemical bonding via carboxylic-group chemisorption with full saturation after 12 sec at capacity of ∼450 mg/g (600x faster and 7x higher than optimized metal surfaces). Furthermore, fluorescence quenching of life-time by 28-35% was measured demonstrating charge-transfer from dye to o-3D-C.

  17. Modeling laser-induced periodic surface structures: an electromagnetic approach

    NARCIS (Netherlands)

    Skolski, J.Z.P.

    2014-01-01

    This thesis presents and discusses laser-induced periodic surface structures (LIPSSs), as well as a model explaining their formation. LIPSSs are regular wavy surface structures with dimensions usually in the submicrometer range, which can develop on the surface of many materials exposed to laser

  18. Electronic structure of Si(1 1 1)2 sq root 7x3-(Pb,Sn) surface

    CERN Document Server

    Yuhara, J; Yoshimoto, O; Nakamura, D; Soda, K; Kamada, M

    2003-01-01

    An Si(1 1 1)2 sq root 7x3-(Pb,Sn) surface was studied by means of scanning tunneling microscopy (STM) and angle-resolved photoelectron spectroscopy (ARPES) to identify its electronic structure. The dispersion relationships along the [1 0 1-bar] direction and [1-bar 2 1-bar] direction were obtained by ARPES and two surface states of S1 and S2 were clearly observed on the 2 sq root 7x3-(Pb,Sn) surface. There was no surface band across the Fermi level and the dispersion of both surface states S1 and S2 were rather flat. The S1 band had peaks at GAMMA and K points, and the S2 band had a maximum at M point. The periodicity of S1 band did not match both 2 sq root 7x3 and 1x1 surface Brillouin zones. STM images of the 2 sq root 7x3-(Pb,Sn) surface showed bright spot arrays and continuous bright lines that exhibit 1D charge density wave along [1 0 1-bar] direction for both empty and filled states. The 2 sq root 7x3-(Pb,Sn) surface intrinsically has domain boundary. The surface states S1 and S2 seem to correspond to t...

  19. Structure of negative parity yrast bands in odd mass 125− 131Ce ...

    Indian Academy of Sciences (India)

    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 ...

  20. The structure and properties of fluorite crystal surfaces

    OpenAIRE

    Tasker, P.

    1980-01-01

    The surface energies, tensions and structure of the (111) and (110) surfaces of CaF2, SrF2, BaF2 and UO2, ThO2, PrO2, PuO2, CeO2 have been calculated using an ionic shell model. The surface energies for the natural cleavage plane (111) are compared with the available experimental data and agree well. The surface tensions indicate a compressive stress in both surfaces. The surface structures show increasing relaxation with increasing ion size and the rumpling of the (110) surface indicates a q...

  1. 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.

  2. Band diagram determination of MOS structures with different gate materials on 3C-SiC substrate

    Science.gov (United States)

    Piskorski, K.; Przewlocki, H.; Esteve, R.; Bakowski, M.

    2012-03-01

    MOS capacitors were fabricated on 3C-SiC n-type substrate (001) with a 10-μm N-type epitaxial layer. An SiO2 layer of the thickness tOX ≈55 nm was deposited by PECVD. Circular Al, Ni, and Au gate contacts 0.7 mm in diameter were formed by ion beam sputtering and lift-off. Energy band diagrams of the MOS capacitors were determined using the photoelectric, electric, and optical measurement methods. Optical method (ellipsometry) was used to determine the gate and dielectric layer thicknesses and their optical indices: the refraction n and the extinction k coefficients. Electrical method of C = f(VG) characteristic measurements allowed to determine the doping density ND and the flat band voltage VFB in the semiconductor. Most of the parameters which were necessary for the construction of the band diagrams and for determination of the basic physical properties of the structures (e.g. the effective contact potential difference ϕMS) were measured by several photoelectric methods and calculated using the measurement data. As a result, complete energy band diagrams have been determined for MOS capacitors with three different gate materials and they are demonstrated for two different gate voltages VG: for the flat-band in the semiconductor (VG = VFB) and for the flat-band in the dielectric (VG = VG0).

  3. Long-range spin-singlet proximity effect for a Josephson system with a single-crystal ferromagnet due to its band-structure features

    Science.gov (United States)

    Avdeev, M. V.; Proshin, Yu. N.

    2018-03-01

    A possible explanation for the long-range proximity effect observed in single-crystalline cobalt nanowires sandwiched between two tungsten superconducting electrodes [Nat. Phys. 6, 389 (2010), 10.1038/nphys1621] is proposed. The theoretical model uses properties of a ferromagnet band structure. Specifically, to connect the exchange field with the momentum of quasiparticles the distinction between the effective masses in majority and minority spin subbands and the Fermi-surface anisotropy are considered. The derived Eilenberger-like equations allowed us to obtain a renormalized exchange interaction that is completely compensated for some crystallographic directions under certain conditions. The proposed theoretical model is compared with previous approaches.

  4. Valence band electronic structure and band alignment of LaAlO{sub 3}/SrTiO{sub 3}(111) heterointerfaces

    Energy Technology Data Exchange (ETDEWEB)

    Gabel, J.; Scheiderer, P.; Zapf, M.; Schuetz, P.; Sing, M.; Claessen, R. [Physikalisches Institut and Roentgen Center for Complex Material Systems (RCCM), Universitaet Wuerzburg (Germany); Schlueter, C.; Lee, T.L. [Diamond Light Source, Didcot (United Kingdom)

    2015-07-01

    As in the famous LaAlO{sub 3}(LAO)/SrTiO{sub 3}(STO) (001) a two-dimensional electron system (2DES) also forms at the interface between LAO and STO in (111) orientation. A distinct feature of the (111) interface is its peculiar real space topology. Each bilayer represents a buckled honeycomb lattice similar to graphene which is known theoretically to host various topologically non-trivial states. Bilayer STO in proximity to the interface can be regarded as a three-orbital generalization of graphene with enhanced electron correlations making it a promising candidate for the realization of strongly correlated topological phases. We have investigated the electronic structure of the LAO/STO (111) heterostructure in relation to the oxygen vacancy concentration which we can control by synchrotron light irradiation and oxygen dosing. With hard X-ray photoemission we study the core levels, whereas resonant soft X-ray photoemission is used to probe the interfacial valence band (VB) states. Two VB features are found: a peak at the Fermi level associated with the 2DES and in-gap states at higher binding energies attributed to oxygen vacancies. By varying the oxygen vacancy contribution we can tune the emergence of the VB states and engineer the interfacial band alignment.

  5. ANOTHER LOOK AT THE EASTERN BANDED STRUCTURE: A STELLAR DEBRIS STREAM AND A POSSIBLE PROGENITOR

    International Nuclear Information System (INIS)

    Grillmair, C. J.

    2011-01-01

    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 18 0 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, 2 0 -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.

  6. Separation and identification of structural modes in largely underdetermined scenarios using frequency banding

    Science.gov (United States)

    Castiglione, Roberto; Antoni, Jerome; Garibaldi, Luigi

    2018-02-01

    In recent years, blind source separation (BSS) has gained significant interest in the context of operational modal analysis, as a non-parametric alternative to the identification of mechanical structures from output-only measurements. One persisting limitation of most BSS methods, however, is to they cannot identify more active modes than the number of simultaneously measured outputs. The aim of this work is to propose a solution to the largely underdetermined case - where many more modes are to be identified than the number of available measurements - by dividing the frequency axis in subbands, such that each band provides an (over)determined problem where BSS can be applied separately. The approach comes with the proposal of a new second-order BSS that operates directly in the frequency domain and takes as an input the cross-spectral matrix of the data. A data augmentation technique is also devised to artificially increase the dimension of the measurements in severely undetermined scenarios. Finally, an identification algorithm is introduced that estimates the modal parameters of the separated structural modes. A remarkable aspect of these algorithms is that they are all based on the unified use of multi-filters designed in the frequency domain, yet with different frequency bandwidths. Another particularity of the present paper is to demonstrate the validity of the proposed approach on several benchmark databases with various degrees of difficulty including complex modes, high modal overlap, singular modes, and the presence of engine harmonics. In all cases, the proposed methodology was efficient and, above all, easy to deal with even in largely undetermined cases.

  7. Ocean Surface Emissivity at L-band (1.4 GHz): The Dependence on Salinity and Roughness

    Science.gov (United States)

    LeVine, D. M.; Lang, R.; Wentz, F.; Messiner, T.

    2012-01-01

    A characterization of the emissivity of sea water at L-band is important for the remote sensing of sea surface salinity. Measurements of salinity are currently being made in the radio astronomy band at 1.413 GHz by ESA's Soil Moisture and Ocean Salinity (SMOS) mission and NASA's Aquarius instrument aboard the Aquarius/SAC-D observatory. The goal of both missions is accuracy on the order of 0.1 psu. This requires accurate knowledge of the dielectric constant of sea water as a function of salinity and temperature and also the effect of waves (roughness). The former determines the emissivity of an ideal (i.e. flat) surface and the later is the major source of error from predictions based on a flat surface. These two aspects of the problem of characterizing the emissivity are being addressed in the context of the Aquarius mission. First, laboratory measurements are being made of the dielectric constant of sea water. This is being done at the George Washington University using a resonant cavity. In this technique, sea water of known salinity and temperature is fed into the cavity along its axis through a narrow tube. The sea water changes the resonant frequency and Q of the cavity which, if the sample is small enough, can be related to the dielectric constant of the sample. An extensive set of measurements have been conducted at 1.413 GHz to develop a model for the real and imaginary part of the dielectric constant as a function of salinity and temperature. The results are compared to the predictions of models based on parameterization of the Debye resonance of the water molecule. The models and measurements are close; however, the differences are significant for remote sensing of salinity. This is especially true at low temperatures where the sensitivity to salinity is lowest.

  8. Constructing Repairable Meta-Structures of Ultra-Broad-Band Electromagnetic Absorption from Three-Dimensional Printed Patterned Shells.

    Science.gov (United States)

    Song, Wei-Li; Zhou, Zhili; Wang, Li-Chen; Cheng, Xiao-Dong; Chen, Mingji; He, Rujie; Chen, Haosen; Yang, Yazheng; Fang, Daining

    2017-12-13

    Ultra-broad-band electromagnetic absorption materials and structures are increasingly attractive for their critical role in competing with the advanced broad-band electromagnetic detection systems. Mechanically soft and weak wax-based materials composites are known to be insufficient to serve in practical electromagnetic absorption applications. To break through such barriers, here we developed an innovative strategy to enable the wax-based composites to be robust and repairable meta-structures by employing a three-dimensional (3D) printed polymeric patterned shell. Because of the integrated merits from both the dielectric loss wax-based composites and mechanically robust 3D printed shells, the as-fabricated meta-structures enable bear mechanical collision and compression, coupled with ultra-broad-band absorption (7-40 and 75-110 GHz, reflection loss  smaller than -10 dB) approaching state-of-the-art electromagnetic absorption materials. With the assistance of experiment and simulation methods, the design advantages and mechanism of employing such 3D printed shells for substantially promoting the electromagnetic absorption performance have been demonstrated. Therefore, such universal strategy that could be widely extended to other categories of wax-based composites highlights a smart stage on which high-performance practical multifunction meta-structures with ultra-broad-band electromagnetic absorption could be envisaged.

  9. Band structure of one-dimensional doped photonic crystal with three level atoms using the Fresnel coefficients method

    Science.gov (United States)

    Jafari, A.; Rahmat, A.; Bakkeshizadeh, S.

    2018-01-01

    We consider a one-dimensional photonic crystal (1DPC) composed of double-layered dielectrics. Electric permittivity and magnetic permeability of this crystal depends on the incident electromagnetic wave frequency. We suppose that three level atoms have been added to the second layer of each dielectric and this photonic crystal (PC) has been doped. These atoms can be added to the layer with different rates. In this paper, we have calculated and compared the band structure of the mentioned PC considering the effect of added atoms to the second layer with different rates through the Fresnel coefficients method. We find out that according to the effective medium theory, the electric permittivity of the second layer changes. Also the band structure of PC for both TE and TM polarizations changes, too. The width of bandgaps related to “zero averaged refractive index” and “Bragg” increases. Moreover, new gap branches appear in new frequencies at both TE and TM polarizations. In specific state, two branches of “zero permittivity” gap appear in the PC band structure related to TM polarization. With increasing the amount of the filling rate of total volume with three level atoms, we observe a lot of changes in the PC band structure.

  10. Design, realization and test of C-band accelerating structures for the SPARC-LAB linac energy upgrade

    Energy Technology Data Exchange (ETDEWEB)

    Alesini, D.; Bellaveglia, M.; Biagini, M.E.; Boni, R. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Brönnimann, M. [Paul Scherrer Institut, 5232 Villigen (Switzerland); Cardelli, F. [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Chimenti, P.; Clementi, R.; Di Pirro, G.; Di Raddo, R.; Ferrario, M. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Ficcadenti, L. [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Gallo, A. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Kalt, R. [Paul Scherrer Institut, 5232 Villigen (Switzerland); Lollo, V. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Palumbo, L. [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Piersanti, L., E-mail: luca.piersanti@lnf.infn.it [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Schilcher, T. [Paul Scherrer Institut, 5232 Villigen (Switzerland)

    2016-11-21

    The energy upgrade of the SPARC-LAB photo-injector at LNF-INFN (Frascati, Italy) has been originally conceived replacing one low gradient (13 MV/m) 3 m long SLAC type S-band traveling wave (TW) section with two 1.4 m long C-band accelerating sections. Due to the higher gradients reached by such structures, a higher energy beam can be obtained within the same accelerator footprint length. The use of C-band structures for electron acceleration has been adopted in a few FEL linacs in the world, among others, the Japanese Free Electron Laser at SPring-8 and the SwissFEL at Paul Scherrer Institute (PSI). The C-band sections are traveling wave, constant impedance structures with symmetric input and output axial couplers. Their design has been optimized for the operation with a SLED RF pulse compressor. In this paper we briefly review their design criteria and we focus on the construction, tuning, low and high-power RF tests. We also illustrate the design and realization of the dedicated low level RF system that has been done in collaboration with PSI in the framework of the EU TIARA project. Preliminary experimental results appear to confirm the operation of such structures with accelerating gradients larger than 35 MV/m.

  11. Phase and frequency structure of superradiance pulses generated by relativistic Ka-band backward-wave oscillator

    International Nuclear Information System (INIS)

    Rostov, V. V.; Romanchenko, I. V.; Elchaninov, A. A.; Sharypov, K. A.; Shunailov, S. A.; Ul'masculov, M. R.; Yalandin, M. I.

    2016-01-01

    Phase and frequency stability of electromagnetic oscillations in sub-gigawatt superradiance (SR) pulses generated by an extensive slow-wave structure of a relativistic Ka-band backward-wave oscillator were experimentally investigated. Data on the frequency tuning and radiation phase stability of SR pulses with a variation of the energy and current of electron beam were obtained.

  12. The angular electronic band structure and free particle model of aromatic molecules: High-frequency photon-induced ring current

    Science.gov (United States)

    Öncan, Mehmet; Koç, Fatih; Şahin, Mehmet; Köksal, Koray

    2017-05-01

    This work introduces an analysis of the relationship of first-principles calculations based on DFT method with the results of free particle model for ring-shaped aromatic molecules. However, the main aim of the study is to reveal the angular electronic band structure of the ring-shaped molecules. As in the case of spherical molecules such as fullerene, it is possible to observe a parabolic dispersion of electronic states with the variation of angular quantum number in the planar ring-shaped molecules. This work also discusses the transition probabilities between the occupied and virtual states by analyzing the angular electronic band structure and the possibility of ring currents in the case of spin angular momentum (SAM) or orbital angular momentum (OAM) carrying light. Current study focuses on the benzene molecule to obtain its angular electronic band structure. The obtained electronic band structure can be considered as a useful tool to see the transition probabilities between the electronic states and possible contribution of the states to the ring currents. The photoinduced current due to the transfer of SAM into the benzene molecule has been investigated by using analytical calculations within the frame of time-dependent perturbation theory.

  13. Broad Band Data and Noise Observed with Surface Station and Borehole Station

    Science.gov (United States)

    Tunc, Suleyman; Ozel, Oguz; Safa Arslan, Mehmet; Behiye Akşahin, Bengi; Hatipoglu, Mustafa; Cagin Yalcintepe, Ragip; Ada, Samim; Meral Ozel, Nurcan

    2016-04-01

    Marmara region tectonically is very active and many destructive earthquakes happened in the past. North Anatolian Fault Zone crosses the Marmara region and it has three branches. The northern branch passes through Marmara Sea and expected future large earthquake will happen along this fault zone. There is a gap in seismic network in the Marmara region at offshore and onshore areas. We have started broadband borehole seismographic observations to obtain the detailed information about fault geometry and its stick-slip behavior beneath the western Marmara Sea, as a part of the MARsite collaborative Project, namely "New Directions in Seismic Hazard Assessment through Focused Earth Observation in the Marmara Supersite-MARsite". The target area western Marmara of Turkey. In the beginning of the project, we installed eight Broadband surface station around Marmara Sea in April 2014. Then, we added broadband sensor and broadband surface sensor at the same location in November 2014. In this study, we developed a Matlab application to calculate Power Spectral Density against the New Low Noise Model (NLNM) and New High Noise Model (NHNM) determined for one-hour segments of the data. Also we compared ambient noise of broadband borehole sensor and surface broadband sensor.

  14. Atomic probes of surface structure and dynamics

    International Nuclear Information System (INIS)

    Heller, E.J.; Jonsson, H.

    1992-01-01

    Progress for the period Sept. 15, 1992 to Sept. 14, 1993 is discussed. Semiclassical methods that will allow much faster and more accurate three-dimensional atom--surface scattering calculations, both elastic and inelastic, are being developed. The scattering of He atoms from buckyballs is being investigated as a test problem. Somewhat more detail is given on studies of He atom scattering from defective Pt surfaces. Molecular dynamics simulations of He + and Ar + ion sputtering of Pt surfaces are also being done. He atom scattering from Xe overlayers on metal surfaces and the thermalized dissociation of H 2 on Cu(110) are being studied. (R.W.R.) 64 refs

  15. Structure and red shift of optical band gap in CdO–ZnO nanocomposite synthesized by the sol gel method

    Energy Technology Data Exchange (ETDEWEB)

    Mosquera, Edgar, E-mail: edemova@ing.uchile.cl [Laboratorio de Materiales a Nanoescala, Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2069, Santiago (Chile); Pozo, Ignacio del, E-mail: ignacio.dpf@gmail.com [Facultad de Ciencias Naturales, Matemáticas y del Medio Ambiente, Universidad Tecnológica Metropolitana, Av. José Pedro Alessandri 1242, Santiago (Chile); Morel, Mauricio, E-mail: mmorel@ing.uchile.cl [Laboratorio de Materiales a Nanoescala, Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2069, Santiago (Chile)

    2013-10-15

    The structure and the optical band gap of CdO–ZnO nanocomposites were studied. Characterization using X-ray diffraction (XRD), transmission electron microscopy (TEM) and diffuse reflectance spectroscopy (DRS) analysis confirms that CdO phase is present in the nanocomposites. TEM analysis confirms the formation of spheroidal nanoparticles and nanorods. The particle size was calculated from Debey–Sherrer′s formula and corroborated by TEM images. FTIR spectroscopy shows residual organic materials (aromatic/Olefinic carbon) from nanocomposites surface. CdO content was modified in the nanocomposites in function of polyvinylalcohol (PVA) added. The optical band gap is found to be red shift from 3.21 eV to 3.11 eV with the increase of CdO content. Photoluminescence (PL) measurements reveal the existence of defects in the synthesized CdO–ZnO nanocomposites. - Graphical abstract: Optical properties of ZnO, CdO and ZnO/CdO nanoparticles. Display Omitted - Highlights: • TEM analysis confirms the presence of spherical nanoparticles and nanorods. • The CdO phase is present in the nanocomposites. • The band gap of the CdO–ZnO nanocomposites is slightly red shift with CdO content. • PL emission of CdO–ZnO nanocomposite are associated to structural defects.

  16. Structural and electronic properties of low-index stoichiometric BiOI surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Wen-Wu; Zhao, Zong-Yan, E-mail: zzy@kmust.edu.cn

    2017-06-01

    As promising photocatalyst driven by visible-light, BiOI has attracted more and more attention in the past years. However, the surface structure and properties of BiOI that is the most important place for the photocatalytic have not been investigated in details. To this end, density functional theory was performed to calculate the structural and electronic properties of four low-index stoichiometric surfaces of BiOI. It is found that the relaxation of the low-index BiOI surfaces are relatively small, especially the (001) surface. Thus, the surface energies of BiOI are very relatively small. Moreover, there are a few surface states below the bottom of conduction band in the first layer except the (001) surface, which maybe capture the photo-excited carriers. In all of the most stable terminated planes, all the dangling bonds are cleaved from the broken Bi-O bonds. In the case of (001) surface, the dangling bond density of Bi atoms for the (001) surface is zero per square nano. Therefore, the (001) surface is thermodynamically lowest-energy surface of BiOI, and it is the predominant surface (51.4%). As a final remark, the dangling bonds density of bismuth atoms determines not only the surface energy, but also the surface relaxation. Finally, the equilibrium morphology of BiOI was also proposed and provided, which is determined through the Wulff construction. These results will help us to better understand the underlying photocatalytic mechanism that is related to BiOI surfaces, and provide theoretical support for some experimental studies about BiOI-based photocatalyst in future. - Highlights: • Four low-index BiOI surfaces have been calculated by DFT method. • The relaxations of the low-index BiOI surfaces are relatively small. • There are a few surface states below the bottom of conduction band in the first layer. • The dangling bonds density of bismuth atoms determines not only the surface energy, but also the surface relaxation. • The thermodynamic

  17. Tunable band (pass and stop) filters based on plasmonic structures using Kerr-type nonlinear rectangular nanocavity

    Science.gov (United States)

    Arianfard, Hamed; Khajeheian, Bahareh; Ghayour, Rahim

    2017-12-01

    We have proposed and numerically investigated two plasmonic structures for bandpass and band-stop filters. The bandpass filter is composed of two metal-insulator-metal (MIM) waveguides coupled to each other by a nonlinear rectangular nanocavity. The band-stop filter consists of an MIM waveguide side coupled to a Kerr-type nonlinear rectangular nanocavity. The optical filtering effect is verified by two-dimensional (2-D) finite-difference time-domain (FDTD) simulations. It is demonstrated that based on optical nonlinearity we can easily make the proposed filters tunable by properly adjusting the intensity of incident light without changing the dimensions of the structures. The simulation results revealed that within the transmission spectrum, the selected central wavelength and the bandwidth of the filter can be tuned by the input signal intensity. The proposed structures are suitable to be used as highly dense integrated optical circuits, where limitations on the dimensions of the filter structure are vital.

  18. Broadband High-Performance Infrared Antireflection Nanowires Facilely Grown on Ultrafast Laser Structured Cu Surface.

    Science.gov (United States)

    Fan, Peixun; Bai, Benfeng; Long, Jiangyou; Jiang, Dafa; Jin, Guofan; Zhang, Hongjun; Zhong, Minlin

    2015-09-09

    Infrared antireflection is an essential issue in many fields such as thermal imaging, sensors, thermoelectrics, and stealth. However, a limited antireflection capability, narrow effective band, and complexity as well as high cost in implementation represent the main unconquered problems, especially on metal surfaces. By introducing precursor micro/nano structures via ultrafast laser beforehand, we present a novel approach for facile and uniform growth of high-quality oxide semiconductor nanowires on a Cu surface via thermal oxidation. Through the enhanced optical phonon dissipation of the nanowires, assisted by light trapping in the micro structures, ultralow total reflectance of 0.6% is achieved at the infrared wavelength around 17 μm and keeps steadily below 3% over a broad band of 14-18 μm. The precursor structures and the nanowires can be flexibly tuned by controlling the laser processing procedure to achieve desired antireflection performance. The presented approach possesses the advantages of material simplicity, structure reconfigurability, and cost-effectiveness for mass production. It opens a new path to realize unique functions by integrating semiconductor nanowires onto metal surface structures.

  19. The use of radar and visual observations to characterize the surface structure of the planet Mercury

    Science.gov (United States)

    Clark, P. E.; Kobrick, M.; Jurgens, R. F.

    1985-01-01

    An analysis is conducted of available topographic profiles and scattering parameters derived from earth-based S- and X-band radar observations of Mercury, in order to determine the nature and origin of regional surface variations and structures that are typical of the planet. Attention is given to the proposal that intercrater plains on Mercury formed from extensive volcanic flooding during bombardment, so that most craters were formed on a partially molten surface and were thus obliterated, together with previously formed tectonic features.

  20. Trigger of the ubiquitous surface band bending in 3D topological insulators

    NARCIS (Netherlands)

    Frantzeskakis, E.; Ramankutty, S.V.; de Jong, N.; Huang, Y.K.; Pan, Y.; Tytarenko, A.; Radovic, M.; Plumb, N.C.; Shi, M.; Varykhalov, A.; de Visser, A.; van Heumen, E.; Golden, M.S.

    2017-01-01

    The main scientific activity in the field of topological insulators (TIs) consists of determining their electronic structure by means of magnetotransport and electron spectroscopy with a view to devices based on topological transport. There is, however, a caveat in this approach. There are

  1. Atomistic full-quantum transport model for zigzag graphene nanoribbon-based structures: Complex energy-band method

    Science.gov (United States)

    Chen, Chun-Nan; Luo, Win-Jet; Shyu, Feng-Lin; Chung, Hsien-Ching; Lin, Chiun-Yan; Wu, Jhao-Ying

    2018-01-01

    Using a non-equilibrium Green’s function framework in combination with the complex energy-band method, an atomistic full-quantum model for solving quantum transport problems for a zigzag-edge graphene nanoribbon (zGNR) structure is proposed. For transport calculations, the mathematical expressions from the theory for zGNR-based device structures are derived in detail. The transport properties of zGNR-based devices are calculated and studied in detail using the proposed method.

  2. Two-phase jet impingement cooling for high heat flux wide band-gap devices using multi-scale porous surfaces

    International Nuclear Information System (INIS)

    Joshi, Shailesh N.; Dede, Ercan M.

    2017-01-01

    Highlights: • Jet impingement with phase change on multi-scale porous surfaces is investigated. • Porous coated flat, pin-fin, open tunnel, and closed tunnel structures are studied. • Boiling curve, heat transfer coefficient, and pressure drop metrics are reported. • Flow visualization shows vapor removal from the surface is a key aspect of design. • The porous coated pin-fin surface exhibits superior two-phase cooling performance. - Abstract: In the future, wide band-gap (WBG) devices such as silicon carbide and gallium nitride will be widely used in automotive power electronics due to performance advantages over silicon-based devices. The high heat fluxes dissipated by WBG devices pose extreme cooling challenges that demand the use of advanced thermal management technologies such as two-phase cooling. In this light, we describe the performance of a submerged two-phase jet impingement cooler in combination with porous coated heat spreaders and multi-jet orifices. The cooling performance of four different porous coated structures was evaluated using R-245fa as the coolant at sub-cooling of 5 K. The results show that the boiling performance of a pin-fin heat spreader is the highest followed by that for an open tunnel (OPT), closed tunnel (CLT), and flat heat spreader. Furthermore, the flat heat spreader demonstrated the lowest critical heat flux (CHF), while the pin-fin surface sustained a heat flux of 218 W/cm 2 without reaching CHF. The CHF values of the OPT and CLT surfaces were 202 W/cm 2 and 194 W/cm 2 , respectively. The pin-fin heat spreader has the highest two-phase heat transfer coefficient of 97,800 W/m 2 K, while the CLT surface has the lowest heat transfer coefficient of 69,300 W/m 2 K, both at a heat flux of 165 W/cm 2 . The variation of the pressure drop of all surfaces is similar for the entire range of heat fluxes tested. The flat heat spreader exhibited the least pressure drop, 1.73 kPa, while the CLT surface had the highest, 2.17 kPa at a

  3. Effect of elastic strain on the band gaps, band alignment, and electronic structure of epitaxial ASnO3 (A = Ca, Sr, and Ba) films and heterostructures revealed through in situ photoemission, spectroscopic ellipsometry, and density functional theory

    Science.gov (United States)

    Baniecki, John; Yamazaki, Takashi; Aso, Hiroyuki; Imanaka, Yoshihiko; Ricinschi, Dan

    The alkaline earth stannates ASnO3 (A = Ba, Sr, and Ca) are emerging as important materials. Band gaps in stannates are remarkably dependent on volumetric strain with a decrease in volumetric strain of 3 percent in SrSnO3 resulting in an increase in the band gap of 0.35 eV. However, little understanding of volumetric strain dependence on the valence band (VB) electronic structure and band alignments between stannates and other oxides exits. In this talk we will examine the effect of elastic strain on the band gaps, band alignment, and electronic structure of stannate films and heterostructures through in situ photoemission, spectroscopic ellipsometry, scanning transmission electron microscopy with geometric phase analysis, and density functional theory. CaSnO3 (CSO), SrSnO3 (SSO) and La-doped BaSnO3 (BLSO) thin films were grown by pulsed laser epitaxy with strain control via epitaxial buffer layers. While the VB electronic structure is strain dependent VB offsets do not vary significantly with strain, which resulted in ascribing most of the difference in band alignment to the conduction band (CB) edge. Significantly, strain-induced tuning of CB offset differences are as large as 0.6 eV for SSO and may provide a pathway to enhance stannate-based devices.

  4. Laser-line rejection or transmission filters based on surface structures built on infrared transmitting materials

    Science.gov (United States)

    Hobbs, Douglas S.

    2005-05-01

    Night vision and related thermal imaging systems play a critical role in the protection of our nation's security. These systems record images using video cameras designed for operation in the infrared (IR) region of the light spectrum. As with any imaging system, increased functionality and new information is gained when discrete portions of the observed light spectrum are analyzed separately using optical filters. Highly discriminating filters are needed to increase the sensitivity of atmospheric chemical sensors, to enable multi-spectral imaging and secure laser communications links, and to protect imaging systems from damage due to attack by high power laser weapons. Today, the performance of IR light filters is inadequate for many applications. Filters capable of efficient rejection of multiple discrete wavelength bands, combined with high transmission for wavelengths outside the rejection bands, do not exist. A new type of narrow-band optical filter capable of protecting critical imaging systems from attack from laser weapons operating at multiple wavelengths, is being developed. Based on rugged surface-structure wave-guide resonant holograms, the new filters will be capable of rejecting better than 99% of IR light within each notch, while maintaining the same level of transmission outside each notch covering a broad range of the IR spectrum. The theory, design and fabrication of surface structure, laser-line rejection and transmission filters built upon infrared transmitting materials, will be described. Optical performance data for prototype structures will be presented.

  5. Investigations on a nano-scale periodical waveguide structure taking surface plasmon polaritons into consideration

    International Nuclear Information System (INIS)

    Liu Weihao; Zhong Renbin; Zhou Jun; Zhang Yaxin; Hu Min; Liu Shenggang

    2012-01-01

    Detailed theoretical analysis and computer simulations on the electromagnetic characteristics of a nano-scale periodical waveguide structure, taking surface plasmon polaritons (SPPs) into consideration, are carried out in this paper. The results show that SPPs will significantly influence the electromagnetic characteristics of the structure. When the operation frequency is in a certain band—the ‘radial confinement band’, neither radial surface plasmon waves nor guided waves, which both will lead to radial energy loss, can be excited in the structure. And the electromagnetic waves are completely confined within the longitudinal waveguide and propagate along it with little attenuation. The radial energy loss is then significantly reduced. These results are of great significance not only for increasing the efficiency of the radiation sources based on the nano-scale periodical waveguide structure but also for the development of high-efficiency waveguides and wide-band filters in the infrared and visible light regimes. (paper)

  6. Subcortical Band Heterotopia (SBH) in Rat Offspring Following Maternal Hypothyroxinemia: Structural and Functional Characteristics

    Science.gov (United States)

    Thyroid hormones (TH) play crucial roles in brain maturation, neuronal migration, and neocortical lamination. Subcortical band heterotopia (SBH) represent a class of neuronal migration errors in humans that are often associated with childhood epilepsy. We have previously reported...

  7. Electronic structure of helically coiled carbon nanotubes: product Relation between the phason lines and energy band features

    International Nuclear Information System (INIS)

    Akagi, K.; Tamura, R.; Tsukada, M.; Itoh, S.; Ihara, S.

    1996-01-01

    Recently carbon nanotubes with coiled structures (carbon helix) were found and have attracted much attention. The electronic structures of two families of such helices, whose structures are proposed by two of the present authors (Ihara and Itoh), are calculated using a tight-binding method based on development maps. It is shown that the various band structures are classified by parameters characterizing the geometry of helices based on the concept of open-quote open-quote phason line.close-quote close-quote Semimetallic character, which could not be manifested in straight tubes, is found in only one of those families

  8. Conflicting Coupling of Unpaired Nucleons and the Structure of Collective Bands in Odd-Odd Nuclei

    International Nuclear Information System (INIS)

    Levon, A.I.; Pasternak, A.A.

    2011-01-01

    The conflicting coupling of unpaired nucleons in odd-odd nuclei is discussed. A very simple explanation is suggested for the damping of the energy spacing of the lowest levels in the rotational bands in odd-odd nuclei with the 'conflicting' coupling of an odd proton and an odd neutron comparative to those of the bands based on the state of a strongly coupled particle in the neighboring odd nucleus entering the 'conflicting' configuration.

  9. A theory for narrow-banded radio bursts at Uranus - MHD surface waves as an energy driver

    Science.gov (United States)

    Farrell, W. M.; Curtis, S. A.; Desch, M. D.; Lepping, R. P.

    1992-01-01

    A possible scenario for the generation of the narrow-banded radio bursts detected at Uranus by the Voyager 2 planetary radio astronomy experiment is described. In order to account for the emission burstiness which occurs on time scales of hundreds of milliseconds, it is proposed that ULF magnetic surface turbulence generated at the frontside magnetopause propagates down the open/closed field line boundary and mode-converts to kinetic Alfven waves (KAW) deep within the polar cusp. The oscillating KAW potentials then drive a transient electron stream that creates the bursty radio emission. To substantiate these ideas, Voyager 2 magnetometer measurements of enhanced ULF magnetic activity at the frontside magnetopause are shown. It is demonstrated analytically that such magnetic turbulence should mode-convert deep in the cusp at a radial distance of 3 RU.

  10. The Glacier and Land Ice Surface Topography Interferometer (GLISTIN): A Novel Ka-band Digitally Beamformed Interferometer

    Science.gov (United States)

    Moller, Delwyn K.; Heavey, Brandon; Hodges, Richard; Rengarajan, Sembiam; Rignot, Eric; Rogez, Francois; Sadowy, Gregory; Simard, Marc; Zawadzki, Mark

    2006-01-01

    The estimation of the mass balance of ice sheets and glaciers on Earth is a problem of considerable scientific and societal importance. A key measurement to understanding, monitoring and forecasting these changes is ice-surface topography, both for ice-sheet and glacial regions. As such NASA identified 'ice topographic mapping instruments capable of providing precise elevation and detailed imagery data for measurements on glacial scales for detailed monitoring of ice sheet, and glacier changes' as a science priority for the most recent Instrument Incubator Program (IIP) opportunities. Funded under this opportunity is the technological development for a Ka-Band (35GHz) single-pass digitally beamformed interferometric synthetic aperture radar (InSAR). Unique to this concept is the ability to map a significant swath impervious of cloud cover with measurement accuracies comparable to laser altimeters but with variable resolution as appropriate to the differing scales-of-interest over ice-sheets and glaciers.

  11. 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)

  12. Band alignment and interfacial chemical structure of the HfLaO/InGaZnO4 heterojunction investigated by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Qian, Ling-Xuan; Wu, Ze-Han; Zhang, Yi-Yu; Liu, Xing-Zhao; Li, Yan-Rong; Liu, Yuan; Song, Jia-Qi

    2017-01-01

    Amorphous InGaZnO 4 thin film transistors (a-IGZO TFTs) with HfLaO gate dielectrics have been widely demonstrated to possess extremely excellent electrical characteristics, and thus show great potential for applications in various next-generation electronic products. Nevertheless, the in-depth understanding of HfLaO/IGZO interfacial features is still lacking, which makes further device optimization lack clear guidance. In this work, the band alignment and interfacial chemical structure of a sputtering-prepared HfLaO/IGZO heterojunction was investigated through x-ray photoelectron spectroscopy. The valence and conduction band offsets (Δ E v and Δ E c ) at the interface were determined to be 0.57 eV and 1.48 eV, respectively. The relatively large Δ E v is mainly attributed to the formation of the interfacial layer (IL) and thus the upward band bending from IGZO to the surface of HfLaO. Furthermore, it was found that the oxygen vacancies on the surface of IGZO were significantly suppressed upon the deposition of HfLaO, which not only explained the previously reported ultrahigh performance of a-IGZO/HfLaO TFTs to some extent, but also additionally validated the formation of the IL. Our findings have successfully revealed the importance of ILs in modifying the band alignment and interfacial trap states of HfLaO/IGZO heterojunctions, thus suggesting a potential route to further optimizing a-IGZO/HfLaO TFTs so as to satisfy the requirements of next-generation technologies. (paper)

  13. Formation of multiscale surface structures on nickel via above surface growth and below surface growth mechanisms using femtosecond laser pulses.

    Science.gov (United States)

    Zuhlke, Craig A; Anderson, Troy P; Alexander, Dennis R

    2013-04-08

    The formation of self-organized micro- and nano-structured surfaces on nickel via both above surface growth (ASG) and below surface growth (BSG) mechanisms using femtosecond laser pulse illumination is reported. Detailed stepped growth experiments demonstrate that conical mound-shaped surface structure development is characterized by a balance of growth mechanisms including scattering from surface structures and geometric effects causing preferential ablation of the valleys, flow of the surface melt, and redeposition of ablated material; all of which are influenced by the laser fluence and the number of laser shots on the sample. BSG-mound formation is dominated by scattering, while ASG-mound formation is dominated by material flow and redeposition. This is the first demonstration to our knowledge of the use of femtosecond laser pulses to fabricate metallic surface structures that rise above the original surface. These results are useful in understanding the details of multi-pulse femtosecond laser interaction with metals.

  14. Band structure and phase stability of the copper oxides Cu2O, CuO, and Cu4O3

    Science.gov (United States)

    Heinemann, Markus; Eifert, Bianca; Heiliger, Christian

    2013-03-01

    The p-type semiconductor copper oxide has three distinct phases Cu2O, CuO, and Cu4O3 with different morphologies and oxidation states of the copper ions. We investigate the structural stability and electronic band structure of all three copper oxide compounds using ab initio methods within the framework of density functional theory and consider different exchange correlation functionals. While the local density approximation (LDA) fails to describe the semiconducting states of CuO and Cu4O3, the LDA+U and HSE06 hybrid functional describe both compounds as indirect semiconductors. Using the HSE06 hybrid functional we calculate the electronic band structure in the full Brillouin zone for all three copper oxide compounds.

  15. Surface potential domains on lamellar P3OT structures

    International Nuclear Information System (INIS)

    Perez-GarcIa, B; Abad, J; Urbina, A; Colchero, J; Palacios-Lidon, E

    2008-01-01

    In this work the electrostatic properties of poly(3-octylthiophene) thin films have been studied on a nanometer scale by means of electrostatic force microscopy and Kelvin probe microscopy (KPM). The KPM images reveal that different surface contact potential domains coexist on the polymer surface. This result, together with additional capacitance measurements, indicates that the potential domains are related to the existence of dipoles due to different molecular arrangements. Finally, capacitance measurements as a function of the tip-sample bias voltage show that in all regions large band bending effects take place

  16. Surface potential domains on lamellar P3OT structures

    Energy Technology Data Exchange (ETDEWEB)

    Perez-GarcIa, B [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Abad, J [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Urbina, A [Departamento Electronica, TecnologIa de Computadoras y Proyectos, Universidad Politecnica de Cartagena, E-30202 Cartagena (Spain); Colchero, J [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Palacios-Lidon, E [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain)

    2008-02-13

    In this work the electrostatic properties of poly(3-octylthiophene) thin films have been studied on a nanometer scale by means of electrostatic force microscopy and Kelvin probe microscopy (KPM). The KPM images reveal that different surface contact potential domains coexist on the polymer surface. This result, together with additional capacitance measurements, indicates that the potential domains are related to the existence of dipoles due to different molecular arrangements. Finally, capacitance measurements as a function of the tip-sample bias voltage show that in all regions large band bending effects take place.

  17. Photonic bandgap structures for long-range surface plasmon polaritons

    DEFF Research Database (Denmark)

    Bozhevolnyi, Sergey I.; Boltasseva, Alexandra; Søndergaard, Thomas

    2005-01-01

    Propagation of long-range surface plasmon polaritons (LR-SPPs) along periodically thickness-modulated metal stripes embedded in dielectric is studied both theoretically and experimentally for light wavelengths in the telecom range. We demonstrate that symmetric (with respect to the film surface) nm......-size thickness variations result in the pronounced band gap effect, and obtain very good agreement between measured and simulated (transmission and reflection) spectra. This effect is exploited to realize a compact wavelength add-drop filter with the bandwidth of -20 nm centered at 1550 nm. The possibilities...

  18. Hydroxyl migration disorders the surface structure of hydroxyapatite nanoparticles

    Science.gov (United States)

    Cheng, Xiajie; Wu, Hong; Zhang, Li; Ma, Xingtao; Zhang, Xingdong; Yang, Mingli

    2017-09-01

    The surface structure of nano-hydroxyapatite (HAP) was investigated using a combined simulated annealing and molecular dynamics method. The stationary structures of nano-HAP with 4-7 nm in diameter and annealed under different temperatures were analyzed in terms of pair distribution function, structural factor, mean square displacement and atomic coordination number. The particles possess different structures from bulk crystal. A clear radial change in their atomic arrangements was noted. From core to surface the structures change from ordered to disordered. A three-shell model was proposed to describe the structure evolution of nano-HAP. Atoms in the core zone keep their arrangements as in crystal, while atoms in the surface shell are in short-range order and long-range disorder, adopting a typically amorphous structure. Atoms in the middle shell have small displacements and/or deflections but basically retain their original locations as in crystal. The disordered shell is about 1 nm in thickness, in agreement with experimental observations. The disordering mainly stems from hydroxyl migration during which hydroxyls move to the surface and bond with the exposed Ca ions, and their left vacancies bring about a rearrangement of nearby atoms. The disordering is to some extent different for particles unannealed under different temperatures, resulting from fewer number of migrated hydroxyls at lower temperatures. Particles with different sizes have similar surface structures, and their surface energy decreases with increasing size. Moreover, the surface energy is reduced by hydroxyl migration because the exposed Ca ions on the surface are ionically bonded with the migrated hydroxyls. Our calculations proposed a new structure model for nano-HAP, which indicates a surface structure with activities different from those without surface reorganization. This is particularly interesting because most bioactivities of biomaterials are dominated by their surface activity.

  19. Development of intermediate-scale structure at different altitudes within an equatorial plasma bubble: Implications for L-band scintillations

    Science.gov (United States)

    Bhattacharyya, A.; Kakad, B.; Gurram, P.; Sripathi, S.; Sunda, S.

    2017-01-01

    An important aspect of the development of intermediate-scale length (approximately hundred meters to few kilometers) irregularities in an equatorial plasma bubble (EPB) that has not been considered in the schemes to predict the occurrence pattern of L-band scintillations in low-latitude regions is how these structures develop at different heights within an EPB as it rises in the postsunset equatorial ionosphere due to the growth of the Rayleigh-Taylor instability. Irregularities at different heights over the dip equator map to different latitudes, and their spectrum as well as the background electron density determine the strength of L-band scintillations at different latitudes. In this paper, VHF and L-band scintillations recorded at different latitudes together with theoretical modeling of the scintillations are used to study the implications of this structuring of EPBs on the occurrence and strength of L-band scintillations at different latitudes. Theoretical modeling shows that while S4 index for scintillations on a VHF signal recorded at an equatorial station may be >1, S4 index for scintillations on a VHF signal recorded near the crest of the equatorial ionization anomaly (EIA) generally does not exceed the value of 1 because the intermediate-scale irregularity spectrum at F layer peak near the EIA crest is shallower than that found in the equatorial F layer peak. This also explains the latitudinal distribution of L-band scintillations. Thus, it is concluded that there is greater structuring of an EPB on the topside of the equatorial F region than near the equatorial F layer peak.

  20. A class of monolayer metal halogenides MX{sub 2}: Electronic structures and band alignments

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Feng; Wang, Weichao; Luo, Xiaoguang; Cheng, Yahui; Dong, Hong; Liu, Hui; Wang, Wei-Hua, E-mail: whwangnk@nankai.edu.cn [Department of Electronics and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300071 (China); Xie, Xinjian [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China)

    2016-03-28

    With systematic first principles calculations, a class of monolayer metal halogenides MX{sub 2} (M = Mg, Ca, Zn, Cd, Ge, Pb; M = Cl, Br, I) has been proposed. Our study indicates that these monolayer materials are semiconductors with the band gaps ranging from 2.03 eV of ZnI{sub 2} to 6.08 eV of MgCl{sub 2}. Overall, the band gap increases with the increase of the electronegativity of the X atom or the atomic number of the metal M. Meanwhile, the band gaps of monolayer MgX{sub 2} (X = Cl, Br) are direct while those of other monolayers are indirect. Based on the band edge curvatures, the derived electron (m{sub e}) and hole (m{sub h}) effective masses of MX{sub 2} monolayers are close to their corresponding bulk values except that the m{sub e} of CdI{sub 2} is three times larger and the m{sub h} for PbI{sub 2} is twice larger. Finally, the band alignments of all the studied MX{sub 2} monolayers are provided using the vacuum level as energy reference. These theoretical results may not only introduce the monolayer metal halogenides family MX{sub 2} into the emerging two-dimensional materials, but also provide insights into the applications of MX{sub 2} in future electronic, visible and ultraviolet optoelectronic devices.

  1. The X-37 Hot Structure Control Surface Testing

    Science.gov (United States)

    Hudson, Larry D.; Stephens, Craig A.

    2006-01-01

    Thermal-structural testing of three hot structure control surface subcomponent test articles (STA) designed for the X-37 (Boeing Phantom Works, Huntington Beach, California) Orbital Vehicle (OV) has been completed. The test articles were subcomponents of the X-37 OV bodyflap and flaperon control surfaces.

  2. Synthesis, Structure and Hirshfeld surface analysis, vibrational and ...

    Indian Academy of Sciences (India)

    3

    lead to the formation of a three-dimensional architecture. Hirshfeld surface analysis for visually analyzing intermolecular interactions in crystal structures employing molecular surface contours and 2D fingerprint plots have been used to scrutinize molecular shapes. The vibration properties of this structure were studied by IR ...

  3. Multichannel surface clutter suppression: East Antarctica P-band SAR ice sounding in the presence of grating lobes

    DEFF Research Database (Denmark)

    Bekaert, David; Gebert, Nicolas; Lin, Chung-Chi

    2014-01-01

    Ice sounding with radar is a well-established technique for the retrieval of ice depth, and provides information on ice structures and layering. Airborne radar ice sounders suffer from off-nadir surface clutter that masks the signal from bedrock and ice layers with unwanted but simultaneously...... received surface reflections. This is of importance for future satellite ice-sounding missions, as the spaceborne geometry leads to strong surface clutter even for deep subsurface returns. This paper presents analysis and comparison of different clutter-suppression techniques applied to data acquired...... of the receive channels were used to suppress the surface 'clutter'. However, with a channel spacing of 1.4 times the wavelength, the grating lobe imposes a limitation to the off-nadir angular range in which clutter can be effectively attenuated. Results of ice sounding over Jutulstraumen glacier are described...

  4. Structural, electronic and mechanical properties of inner surface modified imogolite nanotubes

    Directory of Open Access Journals (Sweden)

    Maurício Chagas Da Silva

    2015-03-01

    Full Text Available The electronic, structural and mechanical properties of the modified imogolites have been investigated using self consistent charge-density functional-tight binding method with a posteriori treatment of the dispersion interaction (SCC-DFTB-D. The zigzag (12,0 imogolite has been used as the initial structure for the calculations. The functionalization of the interior (12,0 imogolite nanotubes by organosilanes and by heat treatment leading to the dehydroxylation of the silanols were investigated. The reaction of the silanols with the trimethylmethoxysilanes is favored and the arrangement of the different substitutions that leads to the most symmetrical structures are preferred. The Young moduli and band gaps are slightly decreased. However, the dehydroxylation of the silanol groups in the inner surface of the imogolite leads to the increase of the Young moduli and a drastic decrease of the band gap of about 4.4 eV. It has been shown that the degree of the dehydroxylation can be controlled by heat treatment and tune the band gap, eventually, leading to a semiconductor material with well defined nanotube structure.

  5. 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.

  6. Fragmentation pathways of nanofractal structures on surfaces

    DEFF Research Database (Denmark)

    Dick, Veronika V.; Solov'yov, Ilia; Solov'yov, Andrey V.

    2011-01-01

    We present a theoretical analysis of the post-growth processes occurring in nanofractals grown on a surface. For this study we have developed a method that accounts for the internal dynamics of particles in a fractal. We demonstrate that the detachment of particles from the fractal and their diff...

  7. Facile fabrication of superhydrophobic surfaces with hierarchical structures.

    Science.gov (United States)

    Lee, Eunyoung; Lee, Kun-Hong

    2018-03-06

    Hierarchical structures were fabricated on the surfaces of SUS304 plates using a one-step process of direct microwave irradiation under a carbon dioxide atmosphere. The surface nanostructures were composed of chrome-doped hematite single crystals. Superhydrophobic surfaces with a water contact angle up to 169° were obtained by chemical modification of the hierarchical structures. The samples maintained superhydrophobicity under NaCl solution up to 2 weeks.

  8. Influence of the Electron-Electron Interaction in the Surface Valence Band on Low Energy Ion Scattering

    Science.gov (United States)

    Fomin, Vladimir M.; Devreese, Jozef T.

    1996-03-01

    The influence of the electron-electron interaction in the surface valence band on the low-energy ion scattering (LEIS) is investigated in the framework of the modified Muda---Newns approach. With this aim the Anderson-type electron-electron interaction term is taken into account in the Hamiltonian of the system and a resulting nonlinear set of equations of motion for the occupation number matrix is solved for various values of the effective electron-electron coupling constant U. It is demonstrated that for increasing U the steady-state value of the atomic level occupation number after the scattering increases. As a result, the ion survival probability is found, e. g., for the scattering of ^4He^+ ions from Cu to be a decreasing function of U. These results allow a consistent interpretation of the recent experimental data on low-energy He^+ ion scattering from metals. The work is supported by the C.E.C. Human Capital and Mobility Project "Quantification of Surface Analysis by Low Energy Ion Scattering". Also at the Technical University of Eindhoven, The Netherlands.

  9. The ν4 fundamental band of tetrafluoromethane: structure and broadening coefficients

    Science.gov (United States)

    Domanskaya, A. V.; Tonkov, Mikhail V.; Boissoles, J.

    2004-01-01

    Broadening coefficients for the ν4 fundamental band of carbon tetrafluoromethane, CF4, have been measured for the systems with argon, helium and nitrogen. Broadening coefficient behavior is similar to that previously reported for linear molecules: they coincide for P and R branches; the m-dependence in case of argon is sharper than that for helium. The broadening for nitrogen and helium are practically the same but the values for nitrogen are scattered around the general tendency. Q-branch broadening is also discussed. Our experimental data permitted us to evaluate the line intensity distribution and integrated intensity of the band.

  10. Internal photoemission for photovoltaic using p-type Schottky barrier: Band structure dependence and theoretical efficiency limits

    Science.gov (United States)

    Shih, Ko-Han; Chang, Yin-Jung

    2018-01-01

    Solar energy conversion via internal photoemission (IPE) across a planar p-type Schottky junction is quantified for aluminum (Al) and copper (Cu) in the framework of direct transitions with non-constant matrix elements. Transition probabilities and k-resolved group velocities are obtained based on pseudo-wavefunction expansions and realistic band structures using the pseudopotential method. The k-resolved number of direct transitions, hole photocurrent density, quantum yield (QY), and the power conversion efficiency (PCE) under AM1.5G solar irradiance are subsequently calculated and analyzed. For Al, the parabolic and "parallel-band" effect along the U-W-K path significantly enhances the transition rate with final energies of holes mainly within 1.41 eV below the Fermi energy. For Cu, d-state hot holes mostly generated near the upper edge of 3d bands dominate the hole photocurrent and are weekly (strongly) dependent on the barrier height (metal film thickness). Hot holes produced in the 4s band behave just oppositely to their d-state counterparts. Non-constant matrix elements are shown to be necessary for calculations of transitions due to time-harmonic perturbation in Cu. Compared with Cu, Al-based IPE in p-type Schottky shows the highest PCE (QY) up to about 0.2673% (5.2410%) at ΦB = 0.95 eV (0.5 eV) and a film thickness of 11 nm (20 nm). It is predicted that metals with relatively dispersionless d bands (such as Cu) in most cases do not outperform metals with photon-accessible parallel bands (such as Al) in photon energy conversion using a planar p-type Schottky junction.

  11. Electronic Structure of Hydrogenated and Surface-Modified GaAs Nanocrystals: Ab Initio Calculations

    Directory of Open Access Journals (Sweden)

    Hamsa Naji Nasir

    2012-01-01

    Full Text Available Two methods are used to simulate electronic structure of gallium arsenide nanocrystals. The cluster full geometrical optimization procedure which is suitable for small nanocrystals and large unit cell that simulates specific parts of larger nanocrystals preferably core part as in the present work. Because of symmetry consideration, large unit cells can reach sizes that are beyond the capabilities of first method. The two methods use ab initio Hartree-Fock and density functional theory, respectively. The results show that both energy gap and lattice constant decrease in their value as the nanocrystals grow in size. The inclusion of surface part in the first method makes valence band width wider than in large unit cell method that simulates the core part only. This is attributed to the broken symmetry and surface passivating atoms that split surface degenerate states and adds new levels inside and around the valence band. Bond length and tetrahedral angle result from full geometrical optimization indicate good convergence to the ideal zincblende structure at the centre of hydrogenated nanocrystal. This convergence supports large unit cell methodology. Existence of oxygen atoms at nanocrystal surface melts down density of states and reduces energy gap.

  12. Fine Structure in the Secondary Electron Emission Peak for Diamond Crystal with (100) Negative Electron Affinity Surface

    Science.gov (United States)

    Asnin, V. M.; Krainsky, I. L.

    1998-01-01

    A fine structure was discovered in the low-energy peak of the secondary electron emission spectra of the diamond surface with negative electron affinity. We studied this structure for the (100) surface of the natural type-IIb diamond crystal. We have found that the low-energy peak consists of a total of four maxima. The relative energy positions of three of them could be related to the electron energy minima near the bottom of the conduction band. The fourth peak, having the lowest energy, was attributed to the breakup of the bulk exciton at the surface during the process of secondary electron emission.

  13. Application of the new LDA+GTB method for the band structure calculation of n-type cuprates

    International Nuclear Information System (INIS)

    Korshunov, M.M.; Ovchinnikov, S.G.; Gavrichkov, V.A.; Nekrasov, I.A.; Pchelkina, Z.V.; Anisimov, V.I.

    2006-01-01

    A novel hybrid scheme is proposed and applied for band structure calculations of undoped n-type cuprate Nd 2 CuO 4 . The ab initio LDA calculation is used to obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the electronic structure within this model is calculated by the generalized tight-binding (GTB) method, that combines the exact diagonalization of the model Hamiltonian for a small cluster with perturbation treatment of the intercluster hopping and interactions. For Nd 2 CuO 4 , this scheme results in charge transfer insulator with value of the gap and band dispersion in agreement to the experimental data

  14. Synchronization of radiation in an oversized coaxial Ka-band backward wave oscillator using two-dimensional Bragg structure

    Directory of Open Access Journals (Sweden)

    N. S. Ginzburg

    2015-12-01

    Full Text Available A coaxial Ka-band backward wave oscillator with a two-dimensional Bragg structure located at the output of the interaction space has been studied. This structure has a double-period corrugation and provides azimuthal electromagnetic energy fluxes, which act on the synchronized radiation of an oversized tubular electron beam. Proof-of-principle experiments were conducted based on the Saturn thermionic accelerator (300  keV/200  A/2  μs. In accordance with simulations, narrow-band generation was obtained at a frequency of 30 GHz and a power level of 1.5–2 MW. As a result, the possibility of using a two-dimensional distributed feedback mechanism in oscillators of the Cherenkov type has been demonstrated.

  15. Structural and electronic properties of hydrosilylated silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Baumer, A.

    2005-11-15

    The structural and electronic properties of alkyl-terminated Si surfaces prepared by thermallyinduced hydrosilylation have been studied in detail in the preceding chapters. Various surfaces have been used for the functionalization ranging from crystalline Si over amorphous hydrogenated Si to nanoscaled materials such as Si nanowires and nanoparticles. In each case, the alkyl-terminated surfaces have been compared to the native oxidized and H-terminated surfaces. (orig.)

  16. LASER SURFACE CLADDING FOR STRUCTURAL REPAIR

    OpenAIRE

    SANTANU PAUL

    2018-01-01

    Laser cladding is a powder deposition technique, which is used to deposit layers of clad material on a substrate to improve its surface properties. It has widespread application in the repair of dies and molds used in the automobile industry. These molds and dies are subjected to cyclic thermo-mechanical loading and therefore undergo localized damage and wear. The final clad quality and integrity is influenced by various physical phenomena, namely, melt pool morphology, microst...

  17. Importance of surface structure on dissolution of fluorite

    DEFF Research Database (Denmark)

    Godinho, Jose; Piazolo, Sandra; Balic Zunic, Tonci

    2014-01-01

    Dissolution rates are usually calculated as a function of surface area, which is assumed to remain constant ignoring the changes occurring on the surface during dissolution. Here we present a study of how topography of natural fluorite surfaces with different orientation changes during up to 3200...... by the relative stability of the planes and type of edges that constitute a surface needs to be considered. Significant differences between dissolution rates calculated based on surface area alone, and based on surface reactivity are expected for materials with the fluorite structure....

  18. Electronic transport and band structures of GaAs/AlAs nanostructures superlattices for near-infrared detection

    Science.gov (United States)

    Barkissy, Driss; Nafidi, Abdelhakim; Boutramine, Abderrazak; Benchtaber, Nassima; Khalal, Ali; El Gouti, Thami

    2017-01-01

    We report here the theoretical calculations of band structures E( d 1), E( k z , k p ) and effective mass along the growth axis and in the plane of GaAs/Al x Ga1- x As superlattices, in the envelope function formalism. The effect of valence band offset, well thickness and temperature on the band structures, has been also studied. Our results show that a transition from indirect to direct band gap in (GaAs) m /(AlAs)4 takes place between m = 5 and 6 monolayers at room temperature. Samples (GaAs)9/(AlAs)4 and GaAs( d 1 = 10 nm)/Al0.15Ga0.85As( d 2 = 15 nm) have a direct band gap of 1.747 eV at room temperature and 1.546 eV at T = 30 mK, respectively. Their corresponding cutoff wavelengths are located in the near infrared region. We have interpreted the photoluminescence measurements of Ledentsov et al. in GaAs( d 1 = 2.52 nm)/AlAs ( d 1 = 1.16 nm) and the oscillations in the magnetoresistance observed by Kawamura et al. in GaAs/Al0.15Ga0.85As superlattice. In the later, the existence of discrete quantized levels along the growth direction z indicates extremely low interactions between adjacent wells leading to the use in parallel transport. The position of Fermi level predicts that this sample exhibits n-type conductivity. These results were compared and discussed with the available data in the literature and can be used as a guide for the design of infrared nanostructured detectors.

  19. InN/GaN Superlattices: Band Structures and Their Pressure Dependence

    DEFF Research Database (Denmark)

    Gorczyca, Iza; Suski, Tadek; Staszczak, Grzegorz

    2013-01-01

    Creation of short-period InN/GaN superlattices is one of the possible ways of conducting band gap engineering in the green-blue range of the spectrum. The present paper reports results of photoluminescence experiments, including pressure effects, on a superlattice sample consisting of unit cells ...

  20. Origin of banded structure and coal lithotype cycles in Kargali coal ...

    Indian Academy of Sciences (India)

    The computed value of χ2 exceeds the limiting value suggesting the presence of Markovity and cyclic arrangement of banded coal lithotypes. The Markov chain model for the Kargali bottom seam of the East Bokaro Gondwana sub-basin is based on the transition probability (pij) matrix and positive values of the difference ...