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Sample records for surface band structure

  1. Surface band structure of Bi1 -xSbx(111 )

    NASA Astrophysics Data System (ADS)

    Benia, Hadj M.; Straßer, Carola; Kern, Klaus; Ast, Christian R.

    2015-04-01

    Theoretical and experimental studies agree that Bi1-xSbx (0.07 ≤x ≤0.21 ) is a three-dimensional topological insulator. However, there is still a debate on the corresponding Bi1-xSbx(111 ) surface band structure. While three spin polarized bands have been claimed experimentally, theoretically, only two surface bands appear, with the third band being attributed to surface imperfections. Here, we address this controversy using angle-resolved photoemission spectroscopy (ARPES) on Bi1-xSbx films. To minimize surface imperfections, we have optimized the sample growth recipe. We have measured the evolution of the surface band structure of Bi1-xSbx with x increasing gradually from x =0 to x =0.6 . Our ARPES data show better agreement with the theoretical calculations, where the system is topologically nontrivial with two surface bands.

  2. Electronic band structure of surface-doped black phosphorus

    NASA Astrophysics Data System (ADS)

    Kim, Jimin; Ryu, Sae Hee; Sohn, Yeongsup; Kim, Keun Su

    2015-03-01

    There are rapidly growing interests in the study of few-layer black phosphorus owing to its promising device characteristics that may impact our future electronics technology. The low-energy band structure of black phosphorus has been widely predicted to be controllable by external perturbations, such as strain and doping. In this work, we attempt to control the electronic band structure of black phosphorous by in-situ surface deposition of alkali-metal atoms. We found that surface doping induces steep band bending towards the bulk, leading to the emergence of new 2D electronic states that are confined within only few phosphorene layers of black phosphorus. Using angle-resolved photoemission spectroscopy, we directly measured the electronic band structure and its evolution as a function of dopant density. Supported by IBS.

  3. Plasmonic band gap structures for surface-enhanced Raman scattering.

    PubMed

    Kocabas, Askin; Ertas, Gulay; Senlik, S S; Aydinli, Atilla

    2008-08-18

    Surface-enhanced Raman Scattering (SERS) of rhodamine 6G (R6G) adsorbed on biharmonic metallic grating structures was studied. Biharmonic metallic gratings include two different grating components, one acting as a coupler to excite surface plasmon polaritons (SPP), and the other forming a plasmonic band gap for the propagating SPPs. In the vicinity of the band edges, localized surface plasmons are formed. These localized plasmons strongly enhance the scattering efficiency of the Raman signal emitted on the metallic grating surfaces. It was shown that reproducible Raman scattering enhancement factors of over 10(5) can be achieved by fabricating biharmonic SERS templates using soft nano-imprint technique. We have shown that the SERS activities from these templates are tunable as a function of plasmonic resonance conditions. Similar enhancement factors were also measured for directional emission of photoluminescence. At the wavelengths of the plasmonic absorption peak, directional enhancement by a factor of 30 was deduced for photoluminescence measurements. PMID:18711483

  4. Effect of tool eccentricity on surface periodic banded structures in friction stir welding

    NASA Astrophysics Data System (ADS)

    Guo, N.; Wang, M. R.; Meng, Q.; Zhou, L.; Tang, D. Y.

    2015-12-01

    This paper describes the relationship between tool eccentricity and surface formation of periodic banded structures in friction stir welding. Motion characteristics of welding tool are calculated to explore the forming mechanism of banded structures. The results reveal that the welding tool motion differences on advancing side and retreating side caused by eccentricity are crucial for the formation of banded structures. The crests and troughs of banded structures form during tool motion on retreating side and advancing side, respectively.

  5. Energy loss of ions at metal surfaces: Band-structure effects

    SciTech Connect

    Alducin, M.; Silkin, V.M.; Juaristi, J.I.; Chulkov, E.V.

    2003-03-01

    We study band-structure effects on the energy loss of protons scattered off the Cu (111) surface. The distance dependent stopping power for a projectile traveling parallel to the surface is calculated within the linear response theory. The self-consistent electronic response of the system is evaluated within the random-phase approximation. In order to characterize the surface band structure, the electronic single-particle wave functions and energies are obtained by solving the Schroedinger equation with a realistic one-dimensional model potential. This potential reproduces the main features of the Cu (111) surface: the energy band gap for electron motion along the surface normal, as well as the binding energy of the occupied surface state and the first image state. Comparison of our results with those obtained within the jellium model allows us to characterize the band-structure effects in the energy loss of protons interacting with the Cu (111) surface.

  6. Understanding the electronic band structure of Pt-alloys for surface reactivity

    NASA Astrophysics Data System (ADS)

    Jung, Jongkeun; Kim, Beomyoung; Hong, Ji Sook; Jin, Tae Won; Shim, Ji Hoon; Nemsak, Slavomir; Denlinger, Jonathan D.; Masashi, Arita; Kenya, Shimada; Kim, Changyoung; Mun, Bongjin Simon

    In polymer exchange membrane fuel cell (PEMFC), the oxygen reduction reaction (ORR) at cathode side has been continuously investigated due to its critical importance in performance of fuel cell. So far, even with best industrial catalyst made with Pt, the performance of ORR is too far below from the commercial purpose. In 2007, Stamenkovic et al. showed that Pt alloys with 3- dtransition metal exhibited significantly improved ORR performance and pointed out the altered electronic structure of surface as the major contributing factor for enhanced ORR. Since 1990, with the advance of DFT calculation, the trend of surface chemical reactivity is explained with the analysis of d-band structures, known as d-band model. While d-band provides valid insight on surface chemical reactivity based on the valence band DOS, the relation between surface work function and DOS has not been well understood. The element-specific local electronic band structure of Pt alloys are identified by ARPES measurement, and the correlation between surface work function and local charge density is investigated.

  7. Electronic structure of reconstructed InAs(001) surfaces - identification of bulk and surface bands based on their symmetries

    NASA Astrophysics Data System (ADS)

    Olszowska, Natalia; Kolodziej, Jacek J.

    2016-02-01

    Using angle-resolved photoelectron spectroscopy (ARPES) band structures of indium- and arsenic-terminated InAs(001) surfaces are investigated. These surfaces are highly reconstructed, elementary cells of their lattices contain many atoms in different chemical configurations, and moreover, they are composed of domains having related but different reconstructions. These domain-type surface reconstructions result in the reciprocal spaces containing regions with well-defined k→∥-vector and regions with not-well-defined one. In the ARPES spectra most of the surface related features appear as straight lines in the indeterminate k→∥-vector space. It is shown that, thanks to differences in crystal and surface symmetries, the single photon energy ARPES may be successfully used for classification of surface and bulk bands of electronic states on complex, highly reconstructed surfaces instead of the most often used variable photon energy studies.

  8. Band-structure-based collisional model for electronic excitations in ion-surface collisions

    SciTech Connect

    Faraggi, M.N.; Gravielle, M.S.; Alducin, M.; Silkin, V.M.; Juaristi, J.I.

    2005-07-15

    Energy loss per unit path in grazing collisions with metal surfaces is studied by using the collisional and dielectric formalisms. Within both theories we make use of the band-structure-based (BSB) model to represent the surface interaction. The BSB approach is based on a model potential and provides a precise description of the one-electron states and the surface-induced potential. The method is applied to evaluate the energy lost by 100 keV protons impinging on aluminum surfaces at glancing angles. We found that when the realistic BSB description of the surface is used, the energy loss obtained from the collisional formalism agrees with the dielectric one, which includes not only binary but also plasmon excitations. The distance-dependent stopping power derived from the BSB model is in good agreement with available experimental data. We have also investigated the influence of the surface band structure in collisions with the Al(100) surface. Surface-state contributions to the energy loss and electron emission probability are analyzed.

  9. Band structure, Fermi surface, superconductivity, and resistivity of actinium under high pressure

    SciTech Connect

    Dakshinamoorthy, M.; Iyakutti, K.

    1984-12-15

    The electronic band structures of fcc actinium (Ac) have been calculated for a wide range of pressures by reducing the unit-cell volume from 1.0V/sub 0/ to 0.5V/sub 0/ with use of the relativistic augmented-plane-wave method. The density of states and Fermi-surface cross sections corresponding to various volumes are obtained. Calculations for the band-structure-related quantities such as electron-phonon mass enhancement factor lambda, superconducting transition temperature T/sub c/, and resistivity rho corresponding to different volumes are performed. It is seen that T/sub c/ increases with pressure, i.e., with decreasing volume. A new empirical relation for the volume dependence of T/sub c/ is proposed and its validity is checked using the T/sub c/ values obtained from the above band-structure results. The resistivity rho first increases with increasing pressure (i.e., with decreasing volume) and then decreases for higher pressures (i.e., for smaller volumes).

  10. Accessing Surface Brillouin Zone and Band Structure of Picene Single Crystals

    NASA Astrophysics Data System (ADS)

    Xin, Qian; Duhm, Steffen; Bussolotti, Fabio; Akaike, Kouki; Kubozono, Yoshihiro; Aoki, Hideo; Kosugi, Taichi; Kera, Satoshi; Ueno, Nobuo

    2012-06-01

    We have experimentally revealed the band structure and the surface Brillouin zone of insulating picene single crystals (SCs), the mother organic system for a recently discovered aromatic superconductor, with ultraviolet photoelectron spectroscopy (UPS) and low-energy electron diffraction with a laser for photoconduction. A hole effective mass of 2.24m0 and the hole mobility μh≥9.0cm2/Vs (298 K) were deduced in the Γ-Y direction. We have further shown that some picene SCs did not show charging during UPS even without the laser, which indicates that pristine UPS works for high-quality organic SCs.

  11. Unconventional band structure for a periodically gated surface of a three dimensional Topological Insulator

    NASA Astrophysics Data System (ADS)

    Ghosh, Sankalpa; Mondal, Puja

    The surface states of the three dimensional (3D) Topological Insulators are described by two-dimensional (2D) massless dirac equation. A gate voltage induced one dimensional potential barrier on such surface creates a discrete bound state in the forbidden region outside the dirac cone. Even for a single barrier it is shown such bound state can create electrostatic analogue of Shubnikov de Haas oscillation which can be experimentally observed for relatively smaller size samples. However when these surface states are exposed to a periodic arrangement of such gate voltage induced potential barriers, the band structure of the same got nontrivially modified. This is expected to significantly alters the properties of macroscopic system. We also suggest that in suitable limit the system may offer ways to control electron spin electrostatically which may be practically useful Supported by UGC Fellowship (PM) and a UKIERI-UGC Thematic Partnership.

  12. Influence of GaAs surface termination on GaSb/GaAs quantum dot structure and band offsets

    SciTech Connect

    Zech, E. S.; Chang, A. S.; Martin, A. J.; Canniff, J. C.; Millunchick, J. M.; Lin, Y. H.; Goldman, R. S.; Department of Physics, University of Michigan, Ann Arbor, Michigan 48109-2136

    2013-08-19

    We have investigated the influence of GaAs surface termination on the nanoscale structure and band offsets of GaSb/GaAs quantum dots (QDs) grown by molecular-beam epitaxy. Transmission electron microscopy reveals both coherent and semi-coherent clusters, as well as misfit dislocations, independent of surface termination. Cross-sectional scanning tunneling microscopy and spectroscopy reveal clustered GaSb QDs with type I band offsets at the GaSb/GaAs interfaces. We discuss the relative influences of strain and QD clustering on the band offsets at GaSb/GaAs interfaces.

  13. Correlation between morphology, electron band structure, and resistivity of Pb atomic chains on the Si(5 5 3)-Au surface.

    PubMed

    Jałochowski, M; Kwapiński, T; Łukasik, P; Nita, P; Kopciuszyński, M

    2016-07-20

    Structural and electron transport properties of multiple Pb atomic chains fabricated on the Si(5 5 3)-Au surface are investigated using scanning tunneling spectroscopy, reflection high electron energy diffraction, angular resolved photoemission electron spectroscopy and in situ electrical resistance. The study shows that Pb atomic chains growth modulates the electron band structure of pristine Si(5 5 3)-Au surface and hence changes its sheet resistivity. Strong correlation between chains morphology, electron band structure and electron transport properties is found. To explain experimental findings a theoretical tight-binding model of multiple atomic chains interacting on effective substrate is proposed. PMID:27228462

  14. Band structure and Fermi surface of electron-doped C60 monolayers.

    PubMed

    Yang, W L; Brouet, V; Zhou, X J; Choi, Hyoung J; Louie, Steven G; Cohen, Marvin L; Kellar, S A; Bogdanov, P V; Lanzara, A; Goldoni, A; Parmigiani, F; Hussain, Z; Shen, Z-X

    2003-04-11

    C60 fullerides are challenging systems because both the electron-phonon and electron-electron interactions are large on the energy scale of the expected narrow band width. We report angle-resolved photoemission data on the band dispersion for an alkali-doped C60 monolayer and a detailed comparison with theory. Compared to the maximum bare theoretical band width of 170 meV, the observed 100-meV dispersion is within the range of renormalization by electron-phonon coupling. This dispersion is only a fraction of the integrated peak width, revealing the importance of many-body effects. Additionally, measurements on the Fermi surface indicate the robustness of the Luttinger theorem even for materials with strong interactions. PMID:12690192

  15. Valence band structure of PDMS surface and a blend with MWCNTs: A UPS and MIES study of an insulating polymer

    NASA Astrophysics Data System (ADS)

    Schmerl, Natalya M.; Khodakov, Dmitriy A.; Stapleton, Andrew J.; Ellis, Amanda V.; Andersson, Gunther G.

    2015-10-01

    The use of polydimethylsiloxane (PDMS) is increasing with new technologies working toward compact, flexible and transparent devices for use in medical and microfluidic systems. Electronic characterization of PDMS and other insulating materials is difficult due to charging, yet necessary for many applications where the interfacial structure is vital to device function or further modification. The outermost layer in particular is of importance as this is the area where chemical reactions such as surface functionalization will occur. Here, we investigate the valence band structure of the outermost layer and near surface area of PDMS through the use of metastable induced photoelectron spectroscopy (MIES) paired with ultraviolet photoelectron spectroscopy (UPS). The chemical composition of the samples under investigation were measured via X-ray photoelectron spectroscopy (XPS), and the vertical distribution of the polymer was shown with neutral impact collision ion scattering spectroscopy (NICISS). Three separate methods for charge compensation are used for the samples, and their effectiveness is compared.

  16. Evidence in the XPS valence band of the fold structure at the surface of polyethylene lamellae

    NASA Astrophysics Data System (ADS)

    Delhalle, J.; Riga, J.; Denis, J. P.; Deleuze, M.; Dosière, M.

    1993-07-01

    For the purpose of identifying surface conformations, the valence XPS spectra of mats of polyethylene single crystals as prepared from the solution and after annealing are reported and compared with the spectrum of a pressed pellet of hexatriacontane. The relative intensity of the two "CC peaks" in the inner-valence region exhibit significant variations that are related to the chain folds occuring at the surface of the lamellae, on the one hand, and to planar zig-zag segments for the annealed and pellet samples, on the other hand.

  17. Band Structures of Plasmonic Polarons

    NASA Astrophysics Data System (ADS)

    Caruso, Fabio; Lambert, Henry; Giustino, Feliciano

    2015-03-01

    In angle-resolved photoemission spectroscopy (ARPES), the acceleration of a photo-electron upon photon absorption may trigger shake-up excitations in the sample, leading to the emission of phonons, electron-hole pairs, and plasmons, the latter being collective charge-density fluctuations. Using state-of-the-art many-body calculations based on the `GW plus cumulant' approach, we show that electron-plasmon interactions induce plasmonic polaron bands in group IV transition metal dichalcogenide monolayers (MoS2, MoSe2, WS2, WSe2). We find that the energy vs. momentum dispersion relations of these plasmonic structures closely follow the standard valence bands, although they appear broadened and blueshifted by the plasmon energy. Based on our results we identify general criteria for observing plasmonic polaron bands in the angle-resolved photoelectron spectra of solids.

  18. Electronic bands, Fermi surface, and elastic properties of new 4.2 K superconductor SrPtAs with a honeycomb structure from first principles calculations

    NASA Astrophysics Data System (ADS)

    Shein, I. R.; Ivanovskii, A. L.

    2011-10-01

    The hexagonal phase SrPtAs (s.g. P6/ mmm; #194) with a honeycomb lattice structure was recently declared as a new low-temperature ( T C ∼ 4.2 K) superconductor. Here, by means of first-principles calculations the optimized structural parameters, electronic bands, Fermi surface, total and partial densities of states, inter-atomic bonding picture, independent elastic constants, bulk and shear moduli for SrPtAs were obtained for the first time and analyzed in comparison with the related layered superconductor SrPt 2As 2.

  19. A study of photoemission using CW and pulsed UV light sources to probe surface slip band structure evolution of single crystal aluminium

    NASA Astrophysics Data System (ADS)

    Cai, Mingdong; Langford, Stephen; Dickinson, J. Thomas

    2008-03-01

    We report measurements of photoelectron emission from high-purity single crystal aluminum during uniaxial tensile deformation. A 248 nm pulsed excimer laser was used as a light source and the generated photoemission data was compared with that using a filtered mercury lamp. Time-of-flight curves of photoelectrons generated by pulsed excimer laser irradiation were observed showing a two peaked structure. These two peaks correspond to photoelectrons of two energy levels. It was also found that real time total photoelectron charge increases linearly with strain; and the increment is heterogeneous. Photoemission using low-energy photons is sensitive to changes in surface morphology accompanying deformation, including slip line and band formation. The discontinuity in photoelectron intensity and the heterogeneous surface slip band structure prove the production of fresh surface area is not continuous, which is predicted by a recent dislocation dynamics theory based on percolation process. Except for differences in instrumentation and data analysis, the photoemission data from a filtered mercury lamp and from the excimer laser are comparable. Current studies extend the application of the excimer laser into surface dynamics analysis.

  20. Electronic structures of bare and terephthalic acid adsorbed TiO2(110)-(1 × 2) reconstructed surfaces: origin and reactivity of the band gap states.

    PubMed

    Zhang, Wenhua; Liu, Liming; Wan, Li; Liu, Lingyun; Cao, Liang; Xu, Faqiang; Zhao, Jin; Wu, Ziyu

    2015-08-21

    Combined core level spectroscopy, valence spectroscopy and density functional theory studies have probed the terephthalic acid (TPA) adsorption behavior and the electronic structure of the rutile TiO2(110)-(1 × 2) reconstructed surface at room temperature. The TiO2(110)-(1 × 2) reconstructed surface exhibits an electron rich nature owing to the unsaturated coordination of the surface terminated Ti2O3 rows. Deprotonation of TPA molecules upon adsorption produces both surface bridging hydroxyl (ObH) and bidentate terephthalate species with a saturation coverage of nearly 0.5 monolayers (ML). In contrast to the TiO2(110)-(1 × 1) surface, the band gap states (BGSs) on the bare (1 × 2) surface exhibit an asymmetric spectral feature, which is originated from integrated contributions of the Ti2O3 termination and the defects in the near-surface region. The Ti2O3 originated BGSs are found to be highly sensitive to the TPA adsorption, a phenomenon well reproduced by the density functional theory (DFT) calculations. Theoretical simulations of the adsorption process also suggest that the redistribution of the electronic density on the (1 × 2) reconstructed surface accompanying the hydroxyl formation promotes the disappearance of the Ti2O3-row derived BGS. PMID:26173487

  1. Formation of the conduction band electronic structure during deposition of ultrathin dicarboximide-substituted perylene films on the oxidized silicon surface

    NASA Astrophysics Data System (ADS)

    Komolov, A. S.; Lazneva, E. F.; Gerasimova, N. B.; Panina, Yu. A.; Baramygin, A. V.; Ovsyannikov, A. D.

    2015-07-01

    The results of the investigation of the conduction band electronic structure and the interfacial potential barrier during deposition of ultrathin dicarboximide-substituted perylene films (PTCBI-C8) on the oxidized silicon surface have been presented. The measurements have been performed using the very low energy electron diffraction (VLEED) technique implemented in the total current spectroscopy (TCS) mode with a variation in the incident electron energy from 0 to 25 eV. Changes in the intensities of the maxima from the deposited PTCBI-C8 film and from the substrate with an increase in the organic coating thickness to 7 nm have been analyzed using TCS measurements. A comparison of the structure of the maxima of PTCBI-C8 and perylene-tetracarboxylic-dianhydride (PTCDA) films has made it possible to distinguish the energy range (8-13 eV above E F) in which distinct differences in the structures of maxima for PTCDA and PTCBI-C8 films are observed. This energy range corresponds to low-lying σ*-states of the conduction band of the films studied. The formation of the interfacial region of the PTCBI-C8 film and (SiO2) n-Si substrate is accompanied by an increase in the surface work function by 0.6 eV, which corresponds to the electron density charge transfer from the (SiO2) n-Si substrate to the PTCBI-C8 film.

  2. Band structure of silicene on zirconium diboride (0001) thin-film surface: Convergence of experiment and calculations in the one-Si-atom Brillouin zone

    NASA Astrophysics Data System (ADS)

    Lee, Chi-Cheng; Fleurence, Antoine; Yamada-Takamura, Yukiko; Ozaki, Taisuke; Friedlein, Rainer

    2014-08-01

    So far, it represents a challenging task to reproduce angle-resolved photoelectron (ARPES) spectra of epitaxial silicene by first-principles calculations. Here, we report on the resolution of the previously controversial issue related to the structural configuration of silicene on the ZrB2(0001) surface and its band structure. In particular, by representing the band structure in a large Brillouin zone associated with a single Si atom, it is found that the imaginary part of the one-particle Green's function follows the spectral weight observed in ARPES spectra. By additionally varying the in-plane lattice constant, the results of density functional theory calculations and ARPES data obtained in a wide energy range converge into the "planarlike" phase and provide the orbital character of electronic states in the vicinity of the Fermi level. It is anticipated that the choice of a smaller commensurate unit cell for the representation of the electronic structure will be useful for the study of epitaxial two-dimensional materials on various substrates in general.

  3. Photonic band gap structure simulator

    DOEpatents

    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.

  4. Effect of the band structure of InGaN/GaN quantum well on the surface plasmon enhanced light-emitting diodes

    SciTech Connect

    Li, Yi; Zhang, Rong E-mail: bliu@nju.edu.cn; Liu, Bin E-mail: bliu@nju.edu.cn; Xie, Zili; Zhang, Guogang; Tao, Tao; Zhuang, Zhe; Zhi, Ting; Zheng, Youdou

    2014-07-07

    The spontaneous emission (SE) of InGaN/GaN quantum well (QW) structure with silver(Ag) coated on the n-GaN layer has been investigated by using six-by-six K-P method taking into account the electron-hole band structures, the photon density of states of surface plasmon polariton (SPP), and the evanescent fields of SPP. The SE into SPP mode can be remarkably enhanced due to the increase of electron-hole pairs near the Ag by modulating the InGaN/GaN QW structure or increasing the carrier injection. However, the ratio between the total SE rates into SPP mode and free space will approach to saturation or slightly decrease for the optimized structures with various distances between Ag film and QW layer at a high injection carrier density. Furthermore, the Ga-face QW structure has a higher SE rate than the N-face QW structure due to the overlap region of electron-hole pairs nearer to the Ag film.

  5. Monolithic phononic crystals with a surface acoustic band gap from surface phonon-polariton coupling.

    PubMed

    Yudistira, D; Boes, A; Djafari-Rouhani, B; Pennec, Y; Yeo, L Y; Mitchell, A; Friend, J R

    2014-11-21

    We theoretically and experimentally demonstrate the existence of complete surface acoustic wave band gaps in surface phonon-polariton phononic crystals, in a completely monolithic structure formed from a two-dimensional honeycomb array of hexagonal shape domain-inverted inclusions in single crystal piezoelectric Z-cut lithium niobate. The band gaps appear at a frequency of about twice the Bragg band gap at the center of the Brillouin zone, formed through phonon-polariton coupling. The structure is mechanically, electromagnetically, and topographically homogeneous, without any physical alteration of the surface, offering an ideal platform for many acoustic wave applications for photonics, phononics, and microfluidics. PMID:25479504

  6. Surface band gaps and superexchange interaction in transition metal oxides

    SciTech Connect

    Pothuizen, J.J.M.; Cohen, O.; Sawatzky, G.A.

    1996-11-01

    In this paper, the authors discuss the change in the band gap of charge transfer insulators for different surface terminations. They have calculated the Madelung potential of the unreconstructed (100) surfaces of the rocksalt structured TM-O compounds (TM = Mn, Fe, Co and Ni). They also considered possible step defects on a (100) surface. The presented results are calculated in both the purely ionic case (TM{sup 2+}O{sup 2{minus}}) and in the strong ligand p - cation 4s,p hybridization (TM{sup 1+}O{sup 1{minus}}) case. In both cases the charge transfer gap, {Delta}, for the surface is reduced compared to the bulk value. As a consequence of this reduction there is a large increase of the surface superexchange interaction, J{sub sur}, and a decrease of the band gap.

  7. Band structure of 235U

    NASA Astrophysics Data System (ADS)

    Ward, D.; Macchiavelli, A. O.; Clark, R. M.; Cline, D.; Cromaz, M.; Deleplanque, M. A.; Diamond, R. M.; Fallon, P.; Görgen, A.; Hayes, A. B.; Lane, G. J.; Lee, I.-Y.; Nakatsukasa, T.; Schmidt, G.; Stephens, F. S.; Svensson, C. E.; Teng, R.; Vetter, K.; Wu, C. Y.

    2012-12-01

    Over a period of several years we have performed three separate experiments at Lawrence Berkeley National Laboratory's 88-Inch Cyclotron in which 235U (thick target) was Coulomb-excited. The program involved stand-alone experiments with Gammmasphere and with the 8pi Spectrometer using 136Xe beams at 720 MeV, and a CHICO-Gammasphere experiment with a 40Ca beam at 184 MeV. In addition to extending the known negative-parity bands to high spin, we have assigned levels in some seven positive-parity bands which are in some cases (e.g., [631]1/2, [624]7/2, and [622]5/2) strongly populated by E3 excitation. The CHICO data have been analyzed to extract E2 and E3 matrix elements from the observed yields. Additionally, many M1 matrix elements could be extracted from the γ-ray branching ratios. A number of new features have emerged, including the unexpected attenuation of magnetic transitions between states of the same Nilsson multiplet, the breakdown of Coriolis staggering at high spin, and the effect of E3 collectivity on Coriolis interactions.

  8. Band structure of W and Mo by empirical pseudopotential method

    NASA Technical Reports Server (NTRS)

    Sridhar, C. G.; Whiting, E. E.

    1977-01-01

    The empirical pseudopotential method (EPM) is used to calculate the band structure of tungsten and molybdenum. Agreement between the calculated reflectivity, density of states, density of states at the Fermi surface and location of the Fermi surface from this study and experimental measurements and previous calculations is good. Also the charge distribution shows the proper topological distribution of charge for a bcc crystal.

  9. Radial band structure of electrons in liquid metals.

    PubMed

    Kim, Keun Su; Yeom, Han Woong

    2011-09-23

    The electronic band structure of a liquid metal was investigated by measuring precisely the evolution of angle-resolved photoelectron spectra during the melting of a Pb monolayer on a Si(111) surface. We found that the liquid monolayer exhibits a free-electron-like band and it undergoes a coherent radial scattering, imposed by the radial correlation of constituent atoms, to form a characteristic secondary hole band. These unique double-radial bands and their gradual evolution during melting can be quantitatively reproduced, including detailed spectral intensity profiles, with our radial scattering model based on a theoretical prediction of 1962. Our result establishes the radial band structure as a key concept for describing the nature of electrons in strongly disordered states of matter. PMID:22026878

  10. Unfolding the band structure of non-crystalline photonic band gap materials

    PubMed Central

    Tsitrin, Samuel; Williamson, Eric Paul; Amoah, Timothy; Nahal, Geev; Chan, Ho Leung; Florescu, Marian; Man, Weining

    2015-01-01

    Non-crystalline photonic band gap (PBG) materials have received increasing attention, and sizeable PBGs have been reported in quasi-crystalline structures and, more recently, in disordered structures. Band structure calculations for periodic structures produce accurate dispersion relations, which determine group velocities, dispersion, density of states and iso-frequency surfaces, and are used to predict a wide-range of optical phenomena including light propagation, excited-state decay rates, temporal broadening or compression of ultrashort pulses and complex refraction phenomena. However, band calculations for non-periodic structures employ large super-cells of hundreds to thousands building blocks, and provide little useful information other than the PBG central frequency and width. Using stereolithography, we construct cm-scale disordered PBG materials and perform microwave transmission measurements, as well as finite-difference time-domain (FDTD) simulations. The photonic dispersion relations are reconstructed from the measured and simulated phase data. Our results demonstrate the existence of sizeable PBGs in these disordered structures and provide detailed information of the effective band diagrams, dispersion relation, iso-frequency contours, and their angular dependence. Slow light phenomena are also observed in these structures near gap frequencies. This study introduces a powerful tool to investigate photonic properties of non-crystalline structures and provides important effective dispersion information, otherwise difficult to obtain. PMID:26289434

  11. Unfolding the band structure of non-crystalline photonic band gap materials.

    PubMed

    Tsitrin, Samuel; Williamson, Eric Paul; Amoah, Timothy; Nahal, Geev; Chan, Ho Leung; Florescu, Marian; Man, Weining

    2015-01-01

    Non-crystalline photonic band gap (PBG) materials have received increasing attention, and sizeable PBGs have been reported in quasi-crystalline structures and, more recently, in disordered structures. Band structure calculations for periodic structures produce accurate dispersion relations, which determine group velocities, dispersion, density of states and iso-frequency surfaces, and are used to predict a wide-range of optical phenomena including light propagation, excited-state decay rates, temporal broadening or compression of ultrashort pulses and complex refraction phenomena. However, band calculations for non-periodic structures employ large super-cells of hundreds to thousands building blocks, and provide little useful information other than the PBG central frequency and width. Using stereolithography, we construct cm-scale disordered PBG materials and perform microwave transmission measurements, as well as finite-difference time-domain (FDTD) simulations. The photonic dispersion relations are reconstructed from the measured and simulated phase data. Our results demonstrate the existence of sizeable PBGs in these disordered structures and provide detailed information of the effective band diagrams, dispersion relation, iso-frequency contours, and their angular dependence. Slow light phenomena are also observed in these structures near gap frequencies. This study introduces a powerful tool to investigate photonic properties of non-crystalline structures and provides important effective dispersion information, otherwise difficult to obtain. PMID:26289434

  12. Detangling Flat Bands via Fano Structures

    NASA Astrophysics Data System (ADS)

    Bodyfelt, Joshua; Flach, Sergej; Leykam, Daniel; Desyatnikov, Anton; Matthies, Peter

    2014-03-01

    Translationally invariant lattices with flat bands (FB) in the band structure possess irreducible compact localized flat band states (FBS). The number of unit cells involved in one irreducible FBS defines the FB class of the model. For class 1, we transform and detangle the FBS and dispersive states into a Fano lattice. Inverting the scheme, we end up with a continuum of FB models for any FB class. In the case of an on-site disorder potential, the symmetric part lifts the FB degeneracy, keeping compact localization of FBS. The antisymmetric part yields Fano-induced Cauchy tails for the potential felt by the dispersive states. As a result, weak disorder enforces different energy dependent localization length scales, and highly nontrivial mode profiles at the FB energy. Scattering by perturbed FBS can then be understood as Fano resonance.

  13. Band structure of ABC -stacked graphene trilayers

    NASA Astrophysics Data System (ADS)

    Zhang, Fan; Sahu, Bhagawan; Min, Hongki; MacDonald, A. H.

    2010-07-01

    The ABC -stacked N -layer-graphene family of two-dimensional electron systems is described at low energies by two remarkably flat bands with Bloch states that have strongly momentum-dependent phase differences between carbon π -orbital amplitudes on different layers and large associated momentum-space Berry phases. These properties are most easily understood using a simplified model with only nearest-neighbor interlayer hopping which leads to gapless semiconductor electronic structure and pN dispersion in both conduction and valence bands. We report on a study of the electronic band structures of trilayers which uses ab initio density-functional theory and kṡp theory to fit the parameters of a π -band tight-binding model. We find that when remote interlayer hopping is retained, the triple Dirac point of the simplified model is split into three single Dirac points located along the three KM directions. External potential differences between top and bottom layers are strongly screened by charge transfer within the trilayer but still open an energy gap at overall neutrality.

  14. Band electronic structures and crystal packing forces

    NASA Astrophysics Data System (ADS)

    Whangbo, M. H.

    1988-02-01

    Progress has been made in several aspects of our research on organic conducting salts, high temperature inorganic superconductors, and other low-dimensional materials. Band electronic structure study on the new ambient-pressure superconductor (BEDT-TTF)2Cu(NCS)2 (T(sub c) = 10.4 K) revealed that this salt is a two-dimensional metal. The (BPDT-TTF)3(INI4)2 salt consists of BPDT-TTF molecules in two different oxidation states. Band electronic structure calculations on (2,5-DM-DCNQI)2Cu revealed that its metallic character must arise from the presence of copper atom mixed-valence (i.e., Cu(+) and Cu(2+). Band electronic structure calculations were performed to examine the difference between the orthorhombic and tetragonal phases of YBa2Cu3O(7-y). We developed empirical atom-atom potentials that reproduce the crystal structure of binary oxides BaO, CuO, La2O3, and Y2O3. On the basis of our band electronic and empirical atom-atom potential studies, we proposed that linear electron-hole-electron pairing in Cu(2+)-O-Cu(3+)-O-Cu(2+) units via concerted breathing-mode vibration is essential for the high-temperature superconductivity in La(2-x)M(x)CuO4 and YBa2Cu3O(7-y). We also found that our empirical atom-atom potentials provide a reasonable set of IR and Raman frequencies for La(2-x)M(x)CuO4.

  15. Complex banded structures in directional solidification processes.

    PubMed

    Korzhenevskii, A L; Rozas, R E; Horbach, J

    2016-01-27

    A combination of theory and numerical simulation is used to investigate impurity superstructures that form in rapid directional solidification (RDS) processes in the presence of a temperature gradient and a pulling velocity with an oscillatory component. Based on a capillary wave model, we show that the RDS processes are associated with a rich morphology of banded structures, including frequency locking and the transition to chaos. PMID:26704726

  16. Complex banded structures in directional solidification processes

    NASA Astrophysics Data System (ADS)

    Korzhenevskii, A. L.; Rozas, R. E.; Horbach, J.

    2016-01-01

    A combination of theory and numerical simulation is used to investigate impurity superstructures that form in rapid directional solidification (RDS) processes in the presence of a temperature gradient and a pulling velocity with an oscillatory component. Based on a capillary wave model, we show that the RDS processes are associated with a rich morphology of banded structures, including frequency locking and the transition to chaos.

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

    SciTech Connect

    Marsh, Roark A.; Shapiro, Michael A.; Temkin, Richard J.; Dolgashev, Valery A.; Laurent, Lisa L.; Lewandowski, James R.; Yeremian, A.Dian; Tantawi, Sami G.; /SLAC

    2012-06-11

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

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

    NASA Astrophysics Data System (ADS)

    Marsh, Roark A.; Shapiro, Michael A.; Temkin, Richard J.; Dolgashev, Valery A.; Laurent, Lisa L.; Lewandowski, James R.; Yeremian, A. Dian; Tantawi, Sami G.

    2011-02-01

    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 65MV/m yielding a breakdown rate of two breakdowns per hour at 60 Hz. An accelerating gradient above 110MV/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 100MV/m and a surface magnetic field of 890kA/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 14MV/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.

  19. The band-gap enhanced photovoltaic structure

    NASA Astrophysics Data System (ADS)

    Tessler, Nir

    2016-05-01

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

  20. Band structure engineering of topological insulator heterojunctions

    NASA Astrophysics Data System (ADS)

    Jin, Kyung-Hwan; Yeom, Han Woong; Jhi, Seung-Hoon

    2016-02-01

    We investigate the topological surface states in heterostructures formed from a three-dimensional topological insulator (TI) and a two-dimensional insulating thin film, using first-principles calculations and the tight-binding method. Utilizing a single Bi or Sb bilayer on top of the topological insulators B i2S e3 , B i2T e3 , B i2T e2Se , and S b2T e3 , we find that the surface states evolve in very peculiar but predictable ways. We show that strong hybridization between the bilayer and TI substrates causes the topological surface states to migrate to the top bilayer. It is found that the difference in the work function of constituent layers, which determines the band alignment and the strength of hybridization, governs the character of newly emerged Dirac states.

  1. Band Engineering of Dirac Surface States in Topological-Insulator-Based van der Waals Heterostructures.

    PubMed

    Chang, Cui-Zu; Tang, Peizhe; Feng, Xiao; Li, Kang; Ma, Xu-Cun; Duan, Wenhui; He, Ke; Xue, Qi-Kun

    2015-09-25

    The existence of a gapless Dirac surface band of a three dimensional (3D) topological insulator (TI) is guaranteed by the nontrivial topological character of the bulk band, yet the surface band dispersion is mainly determined by the environment near the surface. In this Letter, through in situ angle-resolved photoemission spectroscopy and first-principles calculation on 3D TI-based van der Waals heterostructures, we demonstrate that one can engineer the surface band structures of 3D TIs by surface modifications without destroying their topological nontrivial property. The result provides an accessible method to independently control the surface and bulk electronic structures of 3D TIs, and sheds light on designing artificial topological materials for electronic and spintronic purposes. PMID:26451573

  2. Band-structure parameters by genetic algorithm

    SciTech Connect

    Starrost, F.; Bornholdt, S.; Solterbeck, C.; Schattke, W.

    1996-05-01

    A genetic algorithm has been used to solve a complex multidimensional parameter-fitting problem. We will focus on the parameters of an empirical tight-binding Hamiltonian. The method is used to approximate the electronic energy band structure if energy values are known for a few wave vectors of high symmetry. Compared to the usual manual procedure this method is more accurate and automatic. This approach, based on the extended H{umlt u}ckel theory (EHT), has provided a list of EHT parameters for IV-IV and III-V semiconductors with zinc-blende structure and helped us to find a symmetry in the EHT. {copyright} {ital 1996 The American Physical Society.}

  3. Band-gap structures for matter waves

    NASA Astrophysics Data System (ADS)

    Damon, F.; Condon, G.; Cheiney, P.; Fortun, A.; Georgeot, B.; Billy, J.; Guéry-Odelin, D.

    2015-09-01

    Spatial gaps correspond to the projection in position space of the gaps of a periodic structure whose envelope varies spatially. They can be easily generated in cold atomic physics using finite-size optical lattice, and provide a new kind of tunnel barrier which can be used as a versatile tool for quantum devices. We present in detail different theoretical methods to quantitatively describe these systems, and show how they can be used in one dimension to realize matter wave Fabry-Perot cavities. We also provide experimental and numerical results that demonstrate the interest of spatial gap structures for phase space engineering. We then generalize the concept of spatial gaps in two dimensions and show that this enables one to design multiply connected cavities which generate a quantum dot structure for atoms or allow one to construct curved wave guides for matter waves. At last, we demonstrate that modulating in time the amplitude of the periodic structure offers a wide variety of possible atom manipulations including the control of the scattering of an incoming wave packet, the loading of cavities delimited by spatial gaps, their coupling by multiphonon processes or the realization of a tunable source of atoms. This large range of possibilities offered by space and time engineering of optical lattices demonstrates the flexibility of such band-gap structures for matter wave control, quantum simulators, and atomtronics.

  4. Thermal Infrared Spectral Band Detection Limits for Unidentified Surface Materials

    NASA Technical Reports Server (NTRS)

    Kirkland, Laurel E.; Herr, Kenneth C.; Salisbury, John W.

    2001-01-01

    Infrared emission spectra recorded by airborne or satellite spectrometers can be searched for spectral features to determine the composition of rocks on planetary surfaces. Surface materials are identified by detections of characteristic spectral bands. We show how to define whether to accept an observed spectral feature as a detection when the target material is unknown. We also use remotely sensed spectra measured by the Thermal Emission Spectrometer (TES) and the Spatially Enhanced Broadband Array Spectrograph System to illustrate the importance of instrument parameters and surface properties on band detection limits and how the variation in signal-to-noise ratio with wavelength affects the bands that are most detectable for a given instrument. The spectrometer's sampling interval, spectral resolution, signal-to-noise ratio as a function of wavelength, and the sample's surface properties influence whether the instrument can detect a spectral feature exhibited by a material. As an example, in the 6-13 micrometer wavelength region, massive carbonates exhibit two bands: a very strong, broad feature at approximately 6.5 micrometers and a less intense, sharper band at approximately 11.25 micrometers. Although the 6.5-micrometer band is stronger and broader in laboratory-measured spectra, the 11.25-micrometer band will cause a more detectable feature in TES spectra.

  5. Band structures in doubly odd Rh98

    NASA Astrophysics Data System (ADS)

    Kumar, S.; Sihotra, S.; Singh, K.; Singh, V.; Sandeep, Goswamy, J.; Singh, N.; Mehta, D.; Malik, S. S.; Palit, R.; Kumar, R.; Singh, R. P.; Muralithar, S.; Bhowmik, R. K.

    2014-03-01

    Excited states in the transitional doubly odd Rh98 nucleus were populated in the As75(Si28,2p3n) fusion-evaporation reaction using the 120-MeV incident Si28 beam. The subsequent de-excitations were investigated through in-beam γ-ray spectroscopic techniques using an early implementation phase of the Indian National Gamma Array (INGA) spectrometer equipped with 18 clover Ge detectors. The level structures in Rh98 have been established up to excitation energy ≈10 MeV and angular momentum ˜23ℏ. The previously reported level schemes are considerably modified and extended substantially. Significant expansion of the level scheme at low excitation energies stipulates that the previously reported 842-726-994-980-265 keV γ-transition cascade in Rh98 is not directly based on the ground state (T1/2 = 8.7 min). Tilted-axis cranking (TAC) shell-model calculations have been used to put the present level scheme of Rh98 in perspective. Level structures have been interpreted in terms of the rotational bands based on the πp1/2⊗νh11/2 [triaxiality parameter (γ) = 25∘], and πf5/2⊗νh11/2 proton-neutron configurations having moderate quadrupole deformation (ɛ2 ≈ 0.13) and the admixtures. Excited band structures are based on the πp1/2/f5/2⊗π(g9/2)2⊗νh11/2 configuration and the fully stretched [πp1/2⊗ν(h11/2)2⊗νd5/2]13- configuration.

  6. Rotational band structure in 32Mg

    NASA Astrophysics Data System (ADS)

    Crawford, H. L.; Fallon, P.; Macchiavelli, A. O.; Poves, A.; Bader, V. M.; Bazin, D.; Bowry, M.; Campbell, C. M.; Carpenter, M. P.; Clark, R. M.; Cromaz, M.; Gade, A.; Ideguchi, E.; Iwasaki, H.; Langer, C.; Lee, I. Y.; Loelius, C.; Lunderberg, E.; Morse, C.; Richard, A. L.; Rissanen, J.; Smalley, D.; Stroberg, S. R.; Weisshaar, D.; Whitmore, K.; Wiens, A.; Williams, S. J.; Wimmer, K.; Yamamato, T.

    2016-03-01

    There is significant evidence supporting the existence of deformed ground states within the neutron-rich N ≈20 neon, sodium, and magnesium isotopes that make up what is commonly called the "island of inversion." However, the rotational band structures, which are a characteristic fingerprint of a rigid nonspherical shape, have yet to be observed. In this work, we report on a measurement and analysis of the yrast (lowest lying) rotational band in 32Mg up to spin I =6+ produced in a two-step projectile fragmentation reaction and observed using the state-of-the-art γ -ray tracking detector array, GRETINA (γ -ray energy tracking in-beam nuclear array). Large-scale shell-model calculations using the SDPF-U-MIX effective interaction show excellent agreement with the new data. Moreover, a theoretical analysis of the spectrum of rotational states as a function of the pairing gap, together with cranked-shell-model calculations, provides intriguing evidence for a reduction in pairing correlations with increased angular momentum, also in line with the shell-model results.

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

    NASA Astrophysics Data System (ADS)

    Amir, Ariel; Vukusic, Peter

    2013-04-01

    Interference is the source of some of the spectacular colors of animals and plants in nature. In some of these systems, the physical structure consists of an ordered array of layers with alternating high and low refractive indices. This periodicity leads to an optical band structure that is analogous to the electronic band structure encountered in semiconductor physics: specific bands of wavelengths (the stop bands) are perfectly reflected. Here, we present a minimal model for optical band structure in a periodic multilayer structure and solve it using recursion relations. The stop bands emerge in the limit of an infinite number of layers by finding the fixed point of the recursion. We compare to experimental data for various beetles, whose optical structure resembles the proposed model. Thus, using only the phenomenon of interference and the idea of recursion, we are able to elucidate the concept of band structure in the context of the experimentally observed high reflectance and iridescent appearance of structurally colored beetles.

  8. Measurement of valence band structure in arbitrary dielectric films

    SciTech Connect

    Uhm, Han S.; Choi, Eun H.

    2012-10-15

    A new way of measuring the band structure of various dielectric materials using the secondary electron emission from Auger neutralization of ions is introduced. The first example of this measurement scheme is the magnesium oxide (MgO) films with respect to the application of the films in the display industries. The density of state in the valence bands of MgO film and MgO film with a functional layer (FL) deposited over a dielectric surface reveals that the density peak of film with a FL is considerably less than that of film, thereby indicating a better performance of MgO film with functional layer in display devices. The second example of the measurement is the boron-zinc oxide (BZO) films with respect to the application of the films to the development of solar cells. The measurement of density of state in BZO film suggests that a high concentration of boron impurity in BZO films may enhance the transition of electrons and holes through the band gap from the valence to the conduction band in zinc oxide crystals; thereby improving the conductivity of the film. Secondary electron emission by the Auger neutralization of ions is highly instrumental for the determination of the density of states in the valence band of dielectric materials.

  9. Observation of a nonradiative flat band for spoof surface plasmons in a metallic Lieb lattice

    NASA Astrophysics Data System (ADS)

    Kajiwara, Sho; Urade, Yoshiro; Nakata, Yosuke; Nakanishi, Toshihiro; Kitano, Masao

    2016-02-01

    We demonstrate a nonradiative flat band for spoof surface plasmon polaritons bounded on a structured surface with Lieb lattice symmetry in the terahertz regime. First, we theoretically derive the dispersion relation of spoof plasmons in a metallic Lieb lattice based on the electrical circuit model. We obtain three bands, one of which is independent of wave vector. To confirm the theoretical result, we numerically and experimentally observe the flat band in transmission and attenuated total reflection configurations. We reveal that the quality factor of the nonradiative flat-band mode decoupled from the propagating wave is higher than that of the radiative flat-band mode. This indicates that the nonradiative flat-band mode is three-dimensionally confined in the lattice.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  12. Segmental structure in banded mongoose calls.

    PubMed

    Fitch, W Tecumseh

    2012-01-01

    In complex animal vocalizations, such as bird or whale song, a great variety of songs can be produced via rearrangements of a smaller set of 'syllables', known as 'phonological syntax' or 'phonocoding' However, food or alarm calls, which function as referential signals, were previously thought to lack such combinatorial structure. A new study of calls in the banded mongoose Mungos mungo provides the first evidence of phonocoding at the level of single calls. The first portion of the call provides cues to the identity of the caller, and the second part encodes its current activity. This provides the first example known in animals of something akin to the consonants and vowels of human speech. PMID:23206277

  13. A Theoretical Structure of High School Concert Band Performance

    ERIC Educational Resources Information Center

    Bergee, Martin J.

    2015-01-01

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

  14. A Theoretical Structure of High School Concert Band Performance

    ERIC Educational Resources Information Center

    Bergee, Martin J.

    2015-01-01

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

  15. 5 CFR 9701.321 - Structure of bands.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 5 Administrative Personnel 3 2014-01-01 2014-01-01 false Structure of bands. 9701.321 Section 9701.321 Administrative Personnel DEPARTMENT OF HOMELAND SECURITY HUMAN RESOURCES MANAGEMENT SYSTEM... Structure of bands. (a) DHS may, after coordination with OPM, establish ranges of basic pay for bands,...

  16. 5 CFR 9701.321 - Structure of bands.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 5 Administrative Personnel 3 2012-01-01 2012-01-01 false Structure of bands. 9701.321 Section 9701.321 Administrative Personnel DEPARTMENT OF HOMELAND SECURITY HUMAN RESOURCES MANAGEMENT SYSTEM... Structure of bands. (a) DHS may, after coordination with OPM, establish ranges of basic pay for bands,...

  17. Localized surface plasmon resonnance induced terahertz broad absorption band

    NASA Astrophysics Data System (ADS)

    Zhong, Min

    2015-12-01

    A broad band metamaterial absorber is designed and simulated, which constitutes by double circular-patterned metal-dielectric stacks. A absorption band is obtained from 14.1 to 16.4 THz. Electric field distributions reveal that the absorption band is obtained from localized surface plasmon (LSP) modes which are excited both on outside and inside edges of each stack, while the high-frequency absorption peak is excited by LSP modes which are excited only on outside edges. The absorption band width can be tuned by increasing the radius (R) of circular-patterned layers and reducing the thickness of dielectric layers (Hd). Moreover, the designed broad band metamaterial absorber is independent of circular-patterned dielectric layer combination.

  18. Search target band gap with inverse band structure approach for complex superlattices

    NASA Astrophysics Data System (ADS)

    Zheng, Y. H.

    2010-09-01

    Because it is too difficult to pick out the needed structures from the vast possible configurations, complex superlattices have not been studied well for a long time. In this paper, an inverse band structure (IBS) approach which combined genetic algorithm search method with an empirical spds* tight-binding energy band calculation to address this problem is presented. Needed direct energy band gaps of Ga(Al)As complex superlattices are found by using this approach. It can be found that the band gap value can be same for different superlattice structures, but other properties of these complex superlattices could be different.

  19. Sub-band structure engineering for advanced CMOS channels

    NASA Astrophysics Data System (ADS)

    Takagi, Shin-ichi; Mizuno, T.; Tezuka, T.; Sugiyama, N.; Nakaharai, S.; Numata, T.; Koga, J.; Uchida, K.

    2005-05-01

    This paper reviews our recent studies of novel CMOS channels based on the concept of sub-band structure engineering. This device design concept can be realized as strained-Si channel MOSFETs, ultra-thin SOI MOSFETs and Ge-on-Insulator (GOI) MOSFETs. An important factor for the electron mobility enhancement is the introduction of larger sub-band energy splitting between the 2- and 4-fold valleys on a (1 0 0) surface, which can be obtained in strained-Si and ultra-thin body channels. The electrical properties of strained-Si MOSFETs are summarized with an emphasis on strained-SOI structures. Also, the importance of the precise control of ultra-thin SOI thickness is pointed out from the experimental results of the SOI thickness dependence of mobility. Furthermore, it is shown that the increase in the sub-band energy splitting can also be effective in obtaining higher current drive of n-channel MOSFETs under ballistic transport regime. This suggests that the current drive enhancement based on MOS channel engineering utilizing strain and ultra-thin body structures can be extended to ultra-short channel MOSFETs dominated by ballistic transport.

  20. Structural Evolution of a Warm Frontal Precipitation Band During GCPEx

    NASA Technical Reports Server (NTRS)

    Colle, Brian A.; Naeger, Aaron; Molthan, Andrew; Nesbitt, Stephen

    2015-01-01

    A warm frontal precipitation band developed over a few hours 50-100 km to the north of a surface warm front. The 3-km WRF was able to realistically simulate band development, although the model is somewhat too weak. Band genesis was associated with weak frontogenesis (deformation) in the presence of weak potential and conditional instability feeding into the band region, while it was closer to moist neutral within the band. As the band matured, frontogenesis increased, while the stability gradually increased in the banding region. Cloud top generating cells were prevalent, but not in WRF (too stable). The band decayed as the stability increased upstream and the frontogenesis (deformation) with the warm front weakened. The WRF may have been too weak and short-lived with the band because too stable and forcing too weak (some micro issues as well).

  1. Band structures of Bernal graphene modulated by electric fields

    NASA Astrophysics Data System (ADS)

    Tsai, Sing-Jyun; Ho, Jon-Hsu; Chiu, Yu-Huang; Lin, Ming-Fa

    2010-09-01

    The tight-binding model is utilized to investigate the influence of modulation electric fields on bilayer Bernal graphene (BBG). The electric potential changes the parabolic bands into oscillatory ones, and induces more band-edge states. As the strength of field is strengthened, it would enhance the oscillation of energy band, affect larger range of energy, induced more band-edge states, and cause more overlapping of valence and conduction band. While the period of field is enhanced, the number of sub-bands and band-edge states would increase. However the deformation of energy band is less violent. The essential features of electronic structure are directly reflected on the density of states (DOS). DOS displays many prominent peaks resulting from the induced band-edge states.

  2. Electronic structures of TiO2-TCNE, -TCNQ, and -2,6-TCNAQ surface complexes studied by ionization potential measurements and DFT calculations: Mechanism of the shift of interfacial charge-transfer bands

    NASA Astrophysics Data System (ADS)

    Fujisawa, Jun-ichi; Hanaya, Minoru

    2016-06-01

    Interfacial charge-transfer (ICT) transitions between inorganic semiconductors and π-conjugated molecules allow direct charge separation without loss of energy. This feature is potentially useful for efficient photovoltaic conversions. Charge-transferred complexes of TiO2 nanoparticles with 7,7,8,8-tetracyanoquinodimethane (TCNQ) and its analogues (TCNX) show strong ICT absorption in the visible region. The ICT band was reported to be significantly red-shifted with extension of the π-conjugated system of TCNX. In order to clarify the mechanism of the red-shift, in this work, we systematically study electronic structures of the TiO2-TCNX surface complexes (TCNX; TCNE, TCNQ, 2,6-TCNAQ) by ionization potential measurements and density functional theory (DFT) calculations.

  3. Absence of X-point band overlap in divalent hexaborides and variability of the surface chemical potential

    SciTech Connect

    Denlinger, Jonathan D.; Gweon, Gey-Hong; Mo, Sung-Kwan; Allen, James W.; Sarrao, John L.; Bianchi, Adrian D.; Fisk, Zachary

    2001-11-04

    Angle-resolved photoemission measurements of divalent hexaborides reveals a >1 eV X-point gap between the valence and conduction bands, in contradiction to the band overlap assumed in several models of their novel ferromagnetism. While the global ARPES band structure and gap size observed are consistent with the results of bulk-sensitive soft x-ray absorption and emission boron K-edge spectroscopy, the surface-sensitive photoemission measurements also show a variation with cation, surface and time of the position of the surface chemical potential in the band structure.

  4. Engineering the Electronic Band Structure for Multiband Solar Cells

    SciTech Connect

    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.

  5. Slip band distribution and morphology in cyclically deformed nickel polycrystals with ion beam mixed surface films

    NASA Astrophysics Data System (ADS)

    Grummon, D. S.; Jones, J. W.; Meridon, J. M.; Was, G. S.; Rehn, L.

    Shallow surface layers containing supersaturated solid solutions of aluminum in nickel, or γ-γ' dual-phase structures, were produced on fatigue specimens by ion beam mixing. 0.5 MeV Kr ions were used to ballistically mix multiple nickel and aluminum layers deposited by vacuum evaporation. Such surface modifications inhibited the penetration of persistent slip bands and suppressed the formation of notch-peak morphologies in the PSBs which eventually penetrated the surface layer.

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

    NASA Astrophysics Data System (ADS)

    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.

  7. Topological structure of the inter-band phase difference soliton in two-band superconductivity

    NASA Astrophysics Data System (ADS)

    Tanaka, Y.; Iyo, A.; Tokiwa, K.; Watanabe, T.; Crisan, A.; Sundaresan, A.; Terada, N.

    2010-11-01

    Two-component superconductivity based on the two-band superconductor has a functional topology such as an inter-band phase difference soliton ( i-soliton) to realize topological electronics (topolonics). Many gauge field theories are applied to investigate the topology of two-band superconductivity. To ease experimental and electronics applications, these theories should be refined. Weinberg-Salam theory and SU(2) (two-dimensional special unitary symmetry) gauge field theory are proper starting points. An effective extra force field because of the crystal structure and inter-band Josephson interaction, rather than spontaneous symmetry breaking, simplifies the conventional gauge field theory.

  8. Surface Material Characterization from Multi-band Optical Observations

    NASA Astrophysics Data System (ADS)

    Hall, D.

    2010-09-01

    Ground-based optical and radar sites routinely acquire resolved images of satellites. These resolved images provide the means to construct accurate wire-frame models of the observed body, as well as an understanding of its orientation as a function of time. Unfortunately, because such images are typically acquired in a single spectral band, they provide little information on the types of materials covering the satellite's various surfaces. Detailed surface material characterization generally requires spectrometric and/or multi-band photometric measurements. Fortunately, many instruments provide such multi-band information (e.g., spectrographs and multi-channel photometers). However, these sensors often measure the brightness of the entire satellite, with no spatial resolution at all. Because such whole-body measurements represent a summation of contributions from many reflecting surfaces, an ―un-mixing‖ or inversion process must be employed to determine the materials covering each of the satellite's individual sub-components. The first section of this paper describes the inversion theory required to retrieve satellite surface material properties from temporal sequences of whole-body multi-band brightness measurements. The inversion requires the following as input: 1) a set of multi-band measurements of a satellite's reflected-sunlight brightness, 2) the satellite's wire-frame model, including each major component capable of reflecting sunlight, 3) the satellite's attitude, specifying the body’s orientation at the time of each multi-band measurement, and 4) a database of bi-directional reflection distribution functions for a set of candidate surface materials. As output, the inversion process yields estimates of the fraction of each major satellite component covered by each candidate material. The second section of the paper describes several tests of the method by applying it to simulated multi-band observations of a cubical satellite with different materials on each of its six faces. The tests indicate that the inversion method successfully retrieves the six known materials when provided a complete noise-free scan of the cube as input. The method also performs reasonably well when confronted with the adverse effects of measurement noise, superfluous or unknown candidate materials, and incomplete observations.

  9. Multi-band circular polarizer using planar spiral metamaterial structure.

    PubMed

    Ma, Xiaoliang; Huang, Cheng; Pu, Mingbo; Hu, Chenggang; Feng, Qin; Luo, Xiangang

    2012-07-01

    A multi-band circular polarizer is proposed by using multi layered planar spiral metamaterial structure in analogy with classic spiral antenna. At three distinct resonant frequencies, the incident linearly polarized wave with electric field paralleling to one specific direction is transformed into left/right-handed circularly polarized waves through electric field coupling. Measured and simulated results show that right-handed circularly polarized wave is produced at 13.33 GHz and 16.75 GHz while left-handed circularly polarized wave is obtained at 15.56 GHz. The surface current distributions are studied to investigate the transformation behavior for both circular polarizations. The relationship between the resonant positions and the structure parameters is discussed as well. PMID:22772295

  10. Structure band-gap correlations in semiconductors: Implications for computational band gap prediction

    NASA Astrophysics Data System (ADS)

    Schneider, Guenter; Foster, David H.

    2014-03-01

    Large scale structure prediction for novel materials requires computationally inexpensive lattice relaxation methods, which are typically based on density functional theory (DFT) using a semi-local approximation for the exchange-correlation functional. These methods provide structural parameters accurate to within a few percent, but cannot predict band-gaps. Band-gap calculations, require much more computationally expensive methods such as hybrid functionals or the GW approximation. Such an accuracy-tiered method fails dramatically for Cu3PSe4. When the generalized gradient approximation (GGA) is used to relax the lattice and ions, band-gaps calculated using both the single shot GGA+GW method and the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional method are a full 0.5 eV lower than the band gaps calculated for the unrelaxed, experimental structure. The GW and HSE methods predict accurate band gaps only when used with the correct experimental structure. We show that in Cu3PSe4, the calculated band-gap depends strongly on the P-Se bondlength, which can be explained by the P-Se* anti-bonding character of the lowest conduction band state. We show this effect for different lattice relaxation methods including recently developed meta-GGAs.

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

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

  12. MODIS thermal emissive band calibration stability derived from surface targets

    NASA Astrophysics Data System (ADS)

    Wenny, B. N.; Xiong, X.; Dodd, J.

    2009-09-01

    The 16 MODIS Thermal Emissive Bands (TEB), with wavelengths covering from 3.7μm to 14.4μm, are calibrated using scan-by-scan observations of an on-orbit blackbody (BB). Select Earth surface targets can be used to track the long-term consistency, stability and relative bias between the two MODIS instruments currently in orbit. Measurements at Dome C, Antarctica have shown a relative bias of less than 0.01K over a 5 year period between Terra and Aqua MODIS Band 31 (11μm). Dome C surface temperatures are typically outside the MODIS BB calibration range. Sea surface temperature (SST) measurements from data buoys provide a useful reference at higher scene temperatures. This paper extends the techniques previously applied only to Band 31 to the remaining TEB using both Dome C and SST sites. The long-term calibration stability and relative bias between Terra and Aqua MODIS is discussed.

  13. New Band Structures in Aapprox110 Neutron-Rich Nuclei

    SciTech Connect

    Zhu, S. J.; Wang, J. G.; Ding, H. B.; Gu, L.; Xu, Q.; Yeoh, E. Y.; Xiao, Z. G.; Hamilton, J. H.; Ramayya, A. V.; Hwang, J. K.; Liu, S. H.; Li, K.; Luo, Y. X.; Rasmussen, J. O.; Lee, I. Y.; Qi, B.; Meng, J.

    2010-05-12

    The high spin states of neutron-rich nuclei in Aapprox110 region have been carefully investigated by measuring prompt gamma-gamma-gamma coincident measurements populated in the spontaneous fission of {sup 252}Cf with the Gammasphere detector array. Many new collective bands have been discovered. In this proceeding paper, we introduce some interesting new band structures recently observed by our cooperative groups, that is, the one-phonon- and two-phonon gamma-vibrational bands in odd-A {sup 103}Nb, {sup 105}Mo and {sup 107}Tc, the chiral doublet bands in even-even {sup 106}Mo, {sup 110}Ru and {sup 112}Ru, and the pseudospin partner bands with in {sup 108}Tc. The characteristics of these band structures have been discussed.

  14. Atomic structure of amorphous shear bands in boron carbide

    NASA Astrophysics Data System (ADS)

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

    2013-09-01

    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.

  15. Cluster structure and deformed bands in the 38Ar nucleus

    NASA Astrophysics Data System (ADS)

    Sakuda, T.; Ohkubo, S.

    2013-06-01

    The structure of the 38Ar nucleus is investigated by the S34+α orthogonality condition model (OCM). The energy spectra, electromagnetic transitions and α spectroscopic factors are calculated. The excited states can be grouped into several bands according to the leading configurations of their wave functions, and the structures of the bands are discussed. The first excited Kπ=0+ band is found to be predominantly S34+α cluster states. It is also shown that the observed energies and E2 transitions of the band are well reproduced by the model. The existence of a negative-parity doublet band of the band is also predicted. The strength of the α-cluster states is shown to be spread over several levels due to mixing of shell-model states and various α-cluster states.

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

    PubMed

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

    2013-01-01

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

  17. Electronic structure of CoSb{sub 3}: A narrow-band-gap semiconductor

    SciTech Connect

    Sofo, J.O.; Mahan, G.D.

    1998-12-01

    We report calculations which show that the band structure of CoSb{sub 3} is typical of a narrow-band-gap semiconductor. The gap is strongly dependent on the relative position of the Sb atoms inside the unit cell. We obtain a band gap of 0.22 eV after minimization of these positions. This value is more than four times larger than the result of a previous calculation, which reported that the energy bands near the Fermi surface are unusual. The electronic states close to the Fermi level are properly described by a two-band Kane model. The calculated effective masses and band gap are in excellent agreement with Shubnikov{endash}de Haas and Hall effect measurements. Recent measurements of the transport coefficients of this compound can be understood assuming it is a narrow-band-gap semiconductor, in agreement with our results. {copyright} {ital 1998} {ital The American Physical Society}

  18. Electronic Band Structure and Sub-band-gap Absorption of Nitrogen Hyperdoped Silicon

    PubMed Central

    Zhu, Zhen; Shao, Hezhu; Dong, Xiao; Li, Ning; Ning, Bo-Yuan; Ning, Xi-Jing; Zhao, Li; Zhuang, Jun

    2015-01-01

    We investigated the atomic geometry, electronic band structure, and optical absorption of nitrogen hyperdoped silicon based on first-principles calculations. The results show that all the paired nitrogen defects we studied do not introduce intermediate band, while most of single nitrogen defects can introduce intermediate band in the gap. Considering the stability of the single defects and the rapid resolidification following the laser melting process in our sample preparation method, we conclude that the substitutional nitrogen defect, whose fraction was tiny and could be neglected before, should have considerable fraction in the hyperdoped silicon and results in the visible sub-band-gap absorption as observed in the experiment. Furthermore, our calculations show that the substitutional nitrogen defect has good stability, which could be one of the reasons why the sub-band-gap absorptance remains almost unchanged after annealing. PMID:26012369

  19. Rotational structure in the XECL laser bands at 308 nm

    SciTech Connect

    Singh, M.; Suri, B.M.; Kapoor, R.; Saksena, G.D.; Rao, P.R.K.

    1986-03-01

    The spectrum of XeCl laser emission around 308 nm, photographed and photoelectrically recorded on a 1.5 m monochromator, is presented. The spectrum, recorded at the highest resolution so far, shows partially resolved structure of the violet degraded 0--1 and 0--2 bands of XeCl. The rotational structure of these bands is simulated using estimated rotational constants of XeCl available in literature. Observed and simulated rotational structures are compared. Intracavity absorption is conspicuous in the 0--2 band.

  20. Shell model description of band structure in 48Cr

    SciTech Connect

    Vargas, Carlos E.; Velazquez, Victor M.

    2007-02-12

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  2. Structure of nearly degenerate dipole bands in 108Ag

    NASA Astrophysics Data System (ADS)

    Sethi, J.; Palit, R.; Saha, S.; Trivedi, T.; Bhat, G. H.; Sheikh, J. A.; Datta, P.; Carroll, J. J.; Chattopadhyay, S.; Donthi, R.; Garg, U.; Jadhav, S.; Jain, H. C.; Karamian, S.; Kumar, S.; Litz, M. S.; Mehta, D.; Naidu, B. S.; Naik, Z.; Sihotra, S.; Walker, P. M.

    2013-08-01

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

  3. Evidence for hybrid surface metallic band in (4 × 4) silicene on Ag(111)

    SciTech Connect

    Tsoutsou, D. Xenogiannopoulou, E.; Golias, E.; Tsipas, P.; Dimoulas, A.

    2013-12-02

    The electronic band structure of monolayer (4 × 4) silicene on Ag(111) is imaged by angle resolved photoelectron spectroscopy. A dominant hybrid surface metallic band is observed to be located near the bulk Ag sp-band which is also faintly visible. The two-dimensional character of the hybrid band has been distinguished against the bulk character of the Ag(111) sp-band by means of photon energy dependence experiments. The surface band exhibits a steep linear dispersion around the K{sup ¯}{sub Ag} point and has a saddle point near the M{sup ¯}{sub Ag} point of Ag(111) resembling the π-band dispersion in graphene.

  4. Monolayer-induced band shifts at Si(100) and Si(111) surfaces

    SciTech Connect

    Mäkinen, A. J. Kim, Chul-Soo; Kushto, G. P.

    2014-01-27

    We report our study of the interfacial electronic structure of Si(100) and Si(111) surfaces that have been chemically modified with various organic monolayers, including octadecene and two para-substituted benzene derivatives. X-ray photoelectron spectroscopy reveals an upward band shift, associated with the assembly of these organic monolayers on the Si substrates, that does not correlate with either the dipole moment or the electron withdrawing/donating character of the molecular moieties. This suggests that the nature and quality of the self-assembled monolayer and the intrinsic electronic structure of the semiconductor material define the interfacial electronic structure of the functionalized Si(100) and Si(111) surfaces.

  5. The investigation of single, dual and tri-band frequency selective surface

    NASA Astrophysics Data System (ADS)

    Aziz, Mohamad Zoinol Abidin Abd.; Shukor, Mahfuzah Md.; Mustafa, Nur Hanim; Fauzi, Noor Azamiah Md; Ahmad, Badrul Hisham; Suaidi, Mohamad Kadim; Johar, Fauzi Mohd; Salleh, Siti Nadzirah; Azmin, Farah Ayuni; Malek, Mohd Fareq Abd.

    2015-05-01

    The single, dual and tri-band Frequency Selective Surface (FSS) design structure is designed and simulated by using CST Microwave Studio software. The reflection (S11) and transmission (S21) of the design FSS structure is analyzed based on the six types of configuration that have been set up. All configurations are simulated with the same size of the FSS design structure. The hybrid material (FR4 and glass) affects the transmission and reflection signals of the FSS which led to the compact structure. The measurement results are agreed for all FSS design structures but the difference is due to the transmission losses.

  6. Nonequilibrium band structure of nano-devices

    NASA Astrophysics Data System (ADS)

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

    2002-03-01

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

  7. Japanese L-Band Radar Improves Surface Deformation Monitoring

    NASA Astrophysics Data System (ADS)

    Shimada, Masanobu; Ozawa, Taku; Fukushima, Yo; Furuya, Masato; Rosenqvist, Ake

    2008-07-01

    The termination of the Japanese Earth Resources Satellite (JERS 1) in October 1998 and the subsequent delay of the launch of its successor, the Advanced Land Observing Satellite (ALOS), caused a troublesome interruption in the availability of L-band synthetic aperture radar (SAR) data to the several research institutions and government agencies in Japan that had been studying surface deformation by SAR techniques since the Japan Aerospace Exploration Agency (JAXA, formerly the National Space Development Agency of Japan) launched JERS 1 in 1992.

  8. Automated effective band structures for defective and mismatched supercells.

    PubMed

    Brommer, Peter; Quigley, David

    2014-12-01

    In plane-wave density functional theory codes, defects and incommensurate structures are usually represented in supercells. However, interpretation of E versus k band structures is most effective within the primitive cell, where comparison to ideal structures and spectroscopy experiments are most natural. Popescu and Zunger recently described a method to derive effective band structures (EBS) from supercell calculations in the context of random alloys. In this paper, we present bs_sc2pc, an implementation of this method in the CASTEP code, which generates an EBS using the structural data of the supercell and the underlying primitive cell with symmetry considerations handled automatically. We demonstrate the functionality of our implementation in three test cases illustrating the efficacy of this scheme for capturing the effect of vacancies, substitutions and lattice mismatch on effective primitive cell band structures. PMID:25388668

  9. Quasi one-dimensional band dispersion and surface metallization in long-range ordered polymeric wires

    DOE PAGESBeta

    Vasseur, Guillaume; Fagot-Revurat, Yannick; Sicot, Muriel; Kierren, Bertrand; Moreau, Luc; Malterre, Daniel; Cardenas, Luis; Galeotti, Gianluca; Lipton-Duffin, Josh; Rosei, Frederico; et al

    2016-01-04

    We study the electronic structure of an ordered array of poly(para-phenylene) chains produced by surface-catalyzed dehalogenative polymerization of 1,4-dibromobenzene on copper (110). The quantization of unoccupied molecular states is measured as a function of oligomer length by scanning tunnelling spectroscopy, with Fermi level crossings observed for chains longer than ten phenyl rings. Angle-resolved photoelectron spectroscopy reveals a quasi-one-dimensional valence band as well as a direct gap of 1.15 eV, as the conduction band is partially filled through adsorption on the surface. Tight-binding modelling and ab initio density functional theory calculations lead to a full description of the organic band-structure, includingmore » the k-dispersion, the gap size and electron charge transfer mechanisms, highlighting a strong substrate-molecule interaction that drives the system into a metallic behaviour. In summary, we have fully characterized the band structure of a carbon-based conducting wire. This model system may be considered as a fingerprint of -conjugation of surface organic frameworks.« less

  10. Quasi one-Dimensional Band Dispersion and Surface Metallization in Long Range Ordered Polymeric Wires

    SciTech Connect

    Vasseur, Guillaume; Fagot-Revurat, Yannick; Sicot, Muriel; Kierren, Bertrand; Moreau, Luc; Malterre, Daniel; Cardenas, Luis; Galeotti, Gianluca; Lipton-Duffin, Josh; Rosei, Frederico; Giovannantonio, Marco; Giorgio, Contini; Fèvre, Patrick; Bertran, François; Liang, Liangbo; Meunier, Vincent; Perepichka, Dmytro

    2016-01-01

    We study the electronic structure of an ordered array of poly(para-phenylene) chains produced by surface-catalyzed dehalogenative polymerization of 1,4-dibromobenzene on copper (110). The quantization of unoccupied molecular states is measured as a function of oligomer length by scanning tunnelling spectroscopy, with Fermi level crossings observed for chains longer than ten phenyl rings. Angle-resolved photoelectron spectroscopy reveals a quasi-one-dimensional valence band as well as a direct gap of 1.15 eV, as the conduction band is partially filled through adsorption on the surface. Tight-binding modelling and ab initio density functional theory calculations lead to a full description of the organic band-structure, including the k-dispersion, the gap size and electron charge transfer mechanisms, highlighting a strong substrate-molecule interaction that drives the system into a metallic behaviour. In summary, we have fully characterized the band structure of a carbon-based conducting wire. This model system may be considered as a fingerprint of -conjugation of surface organic frameworks.

  11. [Band electronic structures and crystal packing forces

    SciTech Connect

    Not Available

    1993-01-01

    We investigated the electronic and structural properties of low-dimensional materials and explored the structure-property correlations governing their physical properties. Progress was made on how to interpret the scanning tunneling microscopy and atomic force microscopy images of layered materials and on how to account for charge density wave instabilities in 2-D metals. Materials studied included transition metal chalcogenides, transition metal halides, organic conducting salts, Mo bronzes, A[sub 2]PdH[sub 2], fullerenes, squarate tetrahydrate polymers Fe, Cu(C[sub 4]O[sub 4])4[center dot]H[sub 2]O, BEDT salts, etc.

  12. Mapping polarization induced surface band bending on the Rashba semiconductor BiTeI

    PubMed Central

    Butler, Christopher John; Yang, Hung-Hsiang; Hong, Jhen-Yong; Hsu, Shih-Hao; Sankar, Raman; Lu, Chun-I; Lu, Hsin-Yu; Yang, Kui-Hon Ou; Shiu, Hung-Wei; Chen, Chia-Hao; Kaun, Chao-Cheng; Shu, Guo-Jiun; Chou, Fang-Cheng; Lin, Minn-Tsong

    2014-01-01

    Surfaces of semiconductors with strong spin-orbit coupling are of great interest for use in spintronic devices exploiting the Rashba effect. BiTeI features large Rashba-type spin splitting in both valence and conduction bands. Either can be shifted towards the Fermi level by surface band bending induced by the two possible polar terminations, making Rashba spin-split electron or hole bands electronically accessible. Here we demonstrate the first real-space microscopic identification of each termination with a multi-technique experimental approach. Using spatially resolved tunnelling spectroscopy across the lateral boundary between the two terminations, a previously speculated on p-n junction-like discontinuity in electronic structure at the lateral boundary is confirmed experimentally. These findings realize an important step towards the exploitation of the unique behaviour of the Rashba semiconductor BiTeI for new device concepts in spintronics. PMID:24898943

  13. Analysis and design of triple-band high-impedance surface absorber with periodic diversified impedance

    NASA Astrophysics Data System (ADS)

    Rui Zhang, Guo; Heng Zhou, Pei; Bin Zhang, Hui; Bo Zhang, Lin; Liang Xie, Jian; Jiang Deng, Long

    2013-10-01

    In this paper, a triple-band planar absorber with high-impedance surface (HIS) is designed and fabricated. The absorber structure is composed of polyurethane foam sandwiched between a lossy sheet of frequency selective surfaces (FSS) and a perfect electric conductor. The lossy FSS possesses different resistances in a periodic composite unit as compared with typical HIS absorber. Losses in the FSS are introduced by printing the periodic composite square ring pattern on blank stickers using various resistive inks. Physical mechanism of the HIS absorbers is analyzed by equivalent circuit model and electric field distribution studies. The proposed absorber with periodic composite units offers superimposed triple-band absorption as compared with that of the single units having single- or dual-band absorption characteristics. The reflection loss measurements show that the 90% absorption bandwidth of the HIS absorber is increased by 42% by the proposed composite periodic units.

  14. Development of X-Band Dielectric-Loaded Accelerating Structures

    SciTech Connect

    Gold, S. H.; Jing, C.; Kanareykin, A.; Gai, W.; Konecny, R.; Power, J. G.; Kinkead, A. K.

    2010-11-04

    This paper presents a progress report on the development and testing of X-band dielectric-loaded accelerating structures. Recent tests on several quartz DLA structures with different inner diameters are reported. Designs for gap-free DLA structures are presented. Also, planned new experiments are discussed, including higher gradient traveling-wave and standing-wave structures and special grooved structures for multipactor suppression.

  15. Brain surface parameterization using Riemann surface structure.

    PubMed

    Wang, Yalin; Gu, Xianfeng; Hayashi, Kiralee M; Chan, Tony F; Thompson, Paul M; Yau, Shing-Tung

    2005-01-01

    We develop a general approach that uses holomorphic 1-forms to parameterize anatomical surfaces with complex (possibly branching) topology. Rather than evolve the surface geometry to a plane or sphere, we instead use the fact that all orientable surfaces are Riemann surfaces and admit conformal structures, which induce special curvilinear coordinate systems on the surfaces. Based on Riemann surface structure, we can then canonically partition the surface into patches. Each of these patches can be conformally mapped to a parallelogram. The resulting surface subdivision and the parameterizations of the components are intrinsic and stable. To illustrate the technique, we computed conformal structures for several types of anatomical surfaces in MRI scans of the brain, including the cortex, hippocampus, and lateral ventricles. We found that the resulting parameterizations were consistent across subjects, even for branching structures such as the ventricles, which are otherwise difficult to parameterize. Compared with other variational approaches based on surface inflation, our technique works on surfaces with arbitrary complexity while guaranteeing minimal distortion in the parameterization. It also offers a way to explicitly match landmark curves in anatomical surfaces such as the cortex, providing a surface-based framework to compare anatomy statistically and to generate grids on surfaces for PDE-based signal processing. PMID:16686016

  16. Spatio-temporal structure of migrating chemotactic band of Escherichia coli. I. Traveling band profile.

    PubMed

    Holz, M; Chen, S H

    1979-05-01

    We developed a rapid-scanning, light-scattering densitometer by which extensive measurements of band migration speeds and band profiles of chemotactic bands of Escherichia coli in motility buffer both with and without serine have been made. The purpose is to test the applicability of the phenomenological model proposed by Keller and Segel (J. Theor. Biol. 1971. 30:235) and to determine the motility (mu) and chemotactic (delta) coefficients of the bacteria. We extend the previous analytical solution of the simplified Keller-Segel model by taking into account the substrate diffusion which turns out to be significant in the case of oxygen. We demonstrate that unique sets of values of mu and delta can be obtained for various samples at different stages of migration by comparing the numerical solution of the model equation and the experimental data. The rapid-scanning technique also reveals a hitherto unobserved time-dependent fine structure in the bacterial band. We give a qualitative argument to show that the fine structure is an example of the dissipative structure that arises from a nonlinear coupling between the bacterial density and the oxygen concentration gradient. Implications for a further study of the dissipative structure in testing the Keller-Segel model of chemotaxis are briefly discussed. PMID:400469

  17. Spatio-temporal structure of migrating chemotactic band of Escherichia coli. I. Traveling band profile.

    PubMed Central

    Holz, M; Chen, S H

    1979-01-01

    We developed a rapid-scanning, light-scattering densitometer by which extensive measurements of band migration speeds and band profiles of chemotactic bands of Escherichia coli in motility buffer both with and without serine have been made. The purpose is to test the applicability of the phenomenological model proposed by Keller and Segel (J. Theor. Biol. 1971. 30:235) and to determine the motility (mu) and chemotactic (delta) coefficients of the bacteria. We extend the previous analytical solution of the simplified Keller-Segel model by taking into account the substrate diffusion which turns out to be significant in the case of oxygen. We demonstrate that unique sets of values of mu and delta can be obtained for various samples at different stages of migration by comparing the numerical solution of the model equation and the experimental data. The rapid-scanning technique also reveals a hitherto unobserved time-dependent fine structure in the bacterial band. We give a qualitative argument to show that the fine structure is an example of the dissipative structure that arises from a nonlinear coupling between the bacterial density and the oxygen concentration gradient. Implications for a further study of the dissipative structure in testing the Keller-Segel model of chemotaxis are briefly discussed. Images FIGURE 2 PMID:400469

  18. Valence band structure in crystalline pentacene thin films

    NASA Astrophysics Data System (ADS)

    Hatch, Richard; Huber, David; Höchst, Hartmut

    2009-03-01

    Organic semiconductors, such as pentacene (Pn), are beginning to show promise as a low-cost substitute for conventional semiconductors for a variety of electronic devices. The overlap of π-orbitals in the Pn crystal leads to molecular orbital-derived bands. We used angle-resolved photoemission spectroscopy (ARPES) to reveal the Pn in-plane band structure of the two highest occupied molecular orbital-derived bands in crystalline thin film Pn (grown on a Bi substrate) for various temperatures between 75 K and 300 K. We mapped these two bands in several crystallographic directions with special attention given to the region near the top of the valence band and show, within the limits of our experimental resolution, that temperature does not change the dispersions of these bands. We fit the band structure to a tight binding model and compared our results with recent theoretical predictions[1-2]. We also calculated the in-plane reciprocal effective mass for the M point and compared it with the measured mobility. [1] H. Yoshida et. al. Phys. Rev. B 77, 235205 (2008). [2] G. A. de Wijs et. al. Synth. Met. 139, 109 (2003).

  19. Effective band structure of random III-V alloys

    NASA Astrophysics Data System (ADS)

    Popescu, Voicu; Zunger, Alex

    2010-03-01

    Random substitutional alloys have no long range order (LRO) or translational symmetry so rigorously speaking they have no E(k) band structure or manifestations thereof. Yet, many experiments on alloys are interpreted using the language of band theory, e.g. inferring Van Hove singularities, band dispersion and effective masses. Many standard alloy theories (VCA- or CPA-based) have the LRO imposed on the alloy Hamiltonian, assuming only on-site disorder, so they can not be used to judge the extent of LRO that really exists. We adopt the opposite way, by using large (thousand atom) randomly generated supercells in which chemically identical alloy atoms are allowed to have different local environments (a polymorphous representation). This then drives site-dependent atomic relaxation as well as potential fluctuations. The eigenstates from such supercells are then mapped onto the Brillouin zone (BZ) of the primitive cell, producing effective band dispersion. Results for (In,Ga)X show band-like behaviour only near the centre and faces of the BZ but rapidly lose such characteristics away from γ or for higher bands. We further analyse the effects of stoichiometry variation, internal relaxation, and short-range order on the alloy band structure.

  20. Surface roughness of orthodontic band cements with different compositions

    PubMed Central

    van de SANDE, Françoise Hélène; da SILVA, Adriana Fernandes; MICHELON, Douver; PIVA, Evandro; CENCI, Maximiliano Sérgio; DEMARCO, Flávio Fernando

    2011-01-01

    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 (p<0.001) among cements at both baseline and after storage. The roughness values of cements in a decreasing order were ZP>RMGIC>C>R (p<0.001). After 15 days, immersion in lactic acid solution resulted in the highest surface roughness for all cements (p<0.05), except for the RC group (p>0.05). 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. PMID:21625737

  1. Band modulation and in-plane propagation of surface plasmons in composite nanostructures

    NASA Astrophysics Data System (ADS)

    Fan, Ren-Hao; Xu, Di-Hu; Zhang, Kun; Peng, Ru-Wen; Wang, Mu

    2015-03-01

    In this work, we have experimentally and theoretically studied band modulation and in-plane propagation of surface plasmons (SPs) in composite nanostructures with aperture arrays and metallic gratings. It is shown that the plasmonic band structure of the composite system can be significantly modulated because of coupling between the aperture and the grating. By changing the relative positions between these optical components, the resonant modes would shift or split. And the resonant SP modes launched on the structure surface can be effectively modified by the geometric parameters. Further, we provide an experimental observation to directly show the SP in-plane propagation by using far-field measurements. Our study offers a convenient way for observing the SP propagation in far field, and provides unique composite nanostructures for possible applications in subwavelength optodevices, such as optical sensors and detectors.

  2. Self-consistent energy bands in aluminum and electronic surface states and resonances on the (001) surface

    NASA Astrophysics Data System (ADS)

    Seel, M.

    1983-07-01

    The band structure of aluminum has been calculated self-consistently with the use of the Kohn-Sham-Gaspar local exchange potential and the linear combination of Gaussian orbitals method. The resulting band structure, using a basis set of 28 contracted Gaussian-type orbitals, is in excellent agreement with the previous work of Singhal and Callaway in which a basis set of 60 uncontracted Gaussian functions was used. After projection of the bulk bands onto the two-dimensional (001) surface Brillouin zone, surface states and resonances have been calculated along the Δ¯ line with the use of the Green's-function formalism. At point Γ¯, the surface state is located 2.92 eV below EF, in excellent agreement with the experimental result, 2.8+/-0.2 eV below EF. In addition, a resonance is found 0.7 eV below EF with a half-width of 0.4 eV, hitherto interpreted only as Fermi edge intensity. From the midpoint of the Δ¯ axis moving onward up to the Fermi energy, the observed main peak is attributed to surface resonances.

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

    PubMed

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

    2011-10-01

    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. PMID:22107313

  4. Effects of orbital composition in a pair of spin-orbit-split surface bands at Tl/Ge(111)

    NASA Astrophysics Data System (ADS)

    Eickholt, Philipp; Krüger, Peter; Stolwijk, Sebastian D.; Schmidt, Anke B.; Donath, Markus

    2016-02-01

    The spin texture of the unoccupied surface electronic structure of the metal-semiconductor hybrid system Tl /Ge (111 )-(1 ×1 ) is investigated by spin- and angle-resolved inverse photoemission as well as quasiparticle band-structure calculations. Spin-polarized surface bands with rotating spin and giant energy splitting are found along Γ ¯K ¯(K¯') , forming valleys with alternating out-of-plane spin polarization at K ¯ and K¯'. This behavior is known from the equivalent hybrid system on Si(111). Along Γ ¯M ¯ , a pair of surface bands appears within a projected bulk band gap, whose equivalent on Tl/Si(111) is a surface resonance because, there, it overlaps with bulk states. Surprisingly, the spin splitting of these bands on Tl/Ge(111) is much smaller than on Tl/Si(111) despite the stronger surface localization and the heavier substrate. Our detailed analysis of the band structure and a tight-binding model including all relevant interactions show that a remarkable interplay between spin-orbit coupling and hybridization is responsible for this unexpected result. The comparison between the two similar hybrid systems demonstrates that the strength of the spin-orbit coupling alone, based on the atomic number of the respective elements, is not sufficient to estimate spin splittings of spin-orbit-influenced surface states.

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

    SciTech Connect

    Hossain, Nadir; Sweeney, Stephen; Hosea, Jeff; Liebich, Sven; Zimprich, Martin; Volz, Kerstin; Stolz, Wolfgang; Kunert, Bernerdette

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

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

  7. Structural model of Raman ``defect'' bands of vitreous silica

    NASA Astrophysics Data System (ADS)

    Phillips, J. C.

    1987-04-01

    The defect Raman bands in g-SiO2 may be related to the vibrations of bonds in a (100) cristobalite surface planar overlayer. A model which contains no dangling bonds is presented which is qualitatively complete and which is relevant to a wide range of experimental data.

  8. Shell model and band structures in 19O

    NASA Astrophysics Data System (ADS)

    von Oertzen, W.; Milin, M.; Dorsch, T.; Bohlen, H. G.; Krücken, R.; Faestermann, T.; Hertenberger, R.; Kokalova, Tz.; Mahgoub, M.; Wheldon, C.; Wirth, H.-F.

    2010-12-01

    We have studied the reaction ( ^7Li, p) on 13C targets at E lab = 44 MeV, populating states in the oxygen isotope 19O . The experiments were performed at the Tandem Laboratory (Maier-Leibniz Laboratorium) using the high-resolution Q3D magnetic spectrometer. States were populated up to an excitation energy of 21MeV, with an overall energy resolution of 45keV. We discuss shell model states and cluster bands related to the rotational bands in the 18O -isotope, using the weak-coupling approach. Similar to 18O , the broken intrinsic reflection symmetry in these states must give rise to rotational bands as parity doublets, so two K = 3/2 bands (parities, + and - are proposed with large moments of inertia. These are discussed in terms of an underlying cluster structure, ( ^14C ⊗ n ⊗ α) . An extended molecular binding diagram is proposed which includes the 14C -cluster.

  9. Quasi one-dimensional band dispersion and surface metallization in long-range ordered polymeric wires.

    PubMed

    Vasseur, Guillaume; Fagot-Revurat, Yannick; Sicot, Muriel; Kierren, Bertrand; Moreau, Luc; Malterre, Daniel; Cardenas, Luis; Galeotti, Gianluca; Lipton-Duffin, Josh; Rosei, Federico; Di Giovannantonio, Marco; Contini, Giorgio; Le Fèvre, Patrick; Bertran, François; Liang, Liangbo; Meunier, Vincent; Perepichka, Dmitrii F

    2016-01-01

    On-surface covalent self-assembly of organic molecules is a very promising bottom-up approach for producing atomically controlled nanostructures. Due to their highly tuneable properties, these structures may be used as building blocks in electronic carbon-based molecular devices. Following this idea, here we report on the electronic structure of an ordered array of poly(para-phenylene) nanowires produced by surface-catalysed dehalogenative reaction. By scanning tunnelling spectroscopy we follow the quantization of unoccupied molecular states as a function of oligomer length, with Fermi level crossing observed for long chains. Angle-resolved photoelectron spectroscopy reveals a quasi-1D valence band as well as a direct gap of 1.15 eV, as the conduction band is partially filled through adsorption on the surface. Tight-binding modelling and ab initio density functional theory calculations lead to a full description of the band structure, including the gap size and charge transfer mechanisms, highlighting a strong substrate-molecule interaction that drives the system into a metallic behaviour. PMID:26725974

  10. Quasi one-dimensional band dispersion and surface metallization in long-range ordered polymeric wires

    NASA Astrophysics Data System (ADS)

    Vasseur, Guillaume; Fagot-Revurat, Yannick; Sicot, Muriel; Kierren, Bertrand; Moreau, Luc; Malterre, Daniel; Cardenas, Luis; Galeotti, Gianluca; Lipton-Duffin, Josh; Rosei, Federico; di Giovannantonio, Marco; Contini, Giorgio; Le Fèvre, Patrick; Bertran, François; Liang, Liangbo; Meunier, Vincent; Perepichka, Dmitrii F.

    2016-01-01

    On-surface covalent self-assembly of organic molecules is a very promising bottom-up approach for producing atomically controlled nanostructures. Due to their highly tuneable properties, these structures may be used as building blocks in electronic carbon-based molecular devices. Following this idea, here we report on the electronic structure of an ordered array of poly(para-phenylene) nanowires produced by surface-catalysed dehalogenative reaction. By scanning tunnelling spectroscopy we follow the quantization of unoccupied molecular states as a function of oligomer length, with Fermi level crossing observed for long chains. Angle-resolved photoelectron spectroscopy reveals a quasi-1D valence band as well as a direct gap of 1.15 eV, as the conduction band is partially filled through adsorption on the surface. Tight-binding modelling and ab initio density functional theory calculations lead to a full description of the band structure, including the gap size and charge transfer mechanisms, highlighting a strong substrate-molecule interaction that drives the system into a metallic behaviour.

  11. Transient band structures in the ultrafast demagnetization of ferromagnetic gadolinium and terbium

    NASA Astrophysics Data System (ADS)

    Teichmann, Martin; Frietsch, Björn; Döbrich, Kristian; Carley, Robert; Weinelt, Martin

    2015-01-01

    We compare the laser-driven demagnetization dynamics of the rare earths gadolinium and terbium by mapping their transient valance band structures with time- and angle-resolved photoelectron spectroscopy. In both metals, the minority and majority spin valence bands evolve independently with different time constants after optical excitation. The ultrafast shift of the partially unoccupied minority spin bulk band to higher binding energy and of the majority spin surface state to lower binding energy suggests spin transport between surface and bulk. The slower response of the fully occupied majority spin band follows the lattice temperature and is attributed to Elliott-Yafet type spin-flip scattering. Terbium shows a stronger and faster decay of the exchange splitting, pointing to ultrafast magnon emission via 4 f spin-to-lattice coupling.

  12. Reconfigurable wave band structure of an artificial square ice

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  13. Polarization and angle insensitive dual-band bandpass frequency selective surface using all-dielectric metamaterials

    NASA Astrophysics Data System (ADS)

    Yu, Fei; Wang, Jun; Wang, Jiafu; Ma, Hua; Du, Hongliang; Xu, Zhuo; Qu, Shaobo

    2016-04-01

    In this paper, we demonstrate a dual-band bandpass all-dielectric frequency selective surface (FSS), the building elements of which are high-permittivity ceramic particles rather than metallic patterns. With proper structural design and parameter adjustment, the resonant frequency can be tuned at will. Dual-band bandpass response can be realized due to the coupling between electric and magnetic resonances. As an example, a dual-band bandpass FSS is designed in Ku band, which is composed of two-dimensional periodic arrays of complementary quatrefoil structures (CQS) cut from dielectric plates. Moreover, cylindrical dielectric resonators are introduced and placed in the center of each CQS to broaden the bandwidth and to sharpen the cut-off frequency. Theoretical analysis shows that the bandpass response arises from impedance matching caused by electric and magnetic resonances. In addition, effective electromagnetic parameters and dynamic field distributions are presented to explain the mechanism of impedance matching. The proposed FSS has the merits of polarization independence, stable transmission, and sharp roll-off frequency. The method can also be used to design all-dielectric FSSs with continuum structures at other frequencies.

  14. Band energy control of molybdenum oxide by surface hydration

    NASA Astrophysics Data System (ADS)

    Butler, Keith T.; Crespo-Otero, Rachel; Buckeridge, John; Scanlon, David O.; Bovill, Edward; Lidzey, David; Walsh, Aron

    2015-12-01

    The application of oxide buffer layers for improved carrier extraction is ubiquitous in organic electronics. However, the performance is highly susceptible to processing conditions. Notably, the interface stability and electronic structure is extremely sensitive to the uptake of ambient water. In this study we use density functional theory calculations to asses the effects of adsorbed water on the electronic structure of MoOx, in the context of polymer-fullerene solar cells based on PCDTBT. We obtain excellent agreement with experimental values of the ionization potential for pristine MoO3 (010). We find that IP and EA values can vary by as much as 2.5 eV depending on the oxidation state of the surface and that adsorbed water can either increase or decrease the IP and EA depending on the concentration of surface water.

  15. Monoclinic Tungsten Oxide with {100} Facet Orientation and Tuned Electronic Band Structure for Enhanced Photocatalytic Oxidations.

    PubMed

    Zhang, Ning; Chen, Chen; Mei, Zongwei; Liu, Xiaohe; Qu, Xiaolei; Li, Yunxiang; Li, Siqi; Qi, Weihong; Zhang, Yuanjian; Ye, Jinhua; Roy, Vellaisamy A L; Ma, Renzhi

    2016-04-27

    Exploring surface-exposed highly active crystal facets for photocatalytic oxidations is promising in utilizing monoclinic WO3 semiconductor. However, the previously reported highly active facets for monoclinic WO3 were mainly toward enhancing photocatalytic reductions. Here we report that the WO3 with {100} facet orientation and tuned surface electronic band structure can effectively enhance photocatalytic oxidation properties. The {100} faceted WO3 single crystals are synthesized via a facile hydrothermal method. The UV-visible diffuse reflectance, X-ray photoelectron spectroscopy valence band spectra, and photoelectrochemical measurements suggest that the {100} faceted WO3 has a much higher energy level of valence band maximum compared with the normal WO3 crystals without preferred orientation of the crystal face. The density functional theory calculations reveal that the shift of O 2p and W 5d states in {100} face induce a unique band structure. In comparison with the normal WO3, the {100} faceted WO3 exhibits an O2 evolution rate about 5.1 times in water splitting, and also shows an acetone evolution rate of 4.2 times as well as CO2 evolution rate of 3.8 times in gaseous degradation of 2-propanol. This study demonstrates an efficient crystal face engineering route to tune the surface electronic band structure for enhanced photocatalytic oxidations. PMID:27045790

  16. Large spin splitting of metallic surface-state bands at adsorbate-modified gold/silicon surfaces

    PubMed Central

    Bondarenko, L. V.; Gruznev, D. V.; Yakovlev, A. A.; Tupchaya, A. Y.; Usachov, D.; Vilkov, O.; Fedorov, A.; Vyalikh, D. V.; Eremeev, S. V.; Chulkov, E. V.; Zotov, A. V.; Saranin, A. A.

    2013-01-01

    Finding appropriate systems with a large spin splitting of metallic surface-state band which can be fabricated on silicon using routine technique is an essential step in combining Rashba-effect based spintronics with silicon technology. We have found that originally poor structural and electronic properties of the surface can be substantially improved by adsorbing small amounts of suitable species (e.g., Tl, In, Na, Cs). The resultant surfaces exhibit a highly-ordered atomic structure and spin-split metallic surface-state band with a momentum splitting of up to 0.052 Å−1 and an energy splitting of up to 190 meV at the Fermi level. The family of adsorbate-modified surfaces, on the one hand, is thought to be a fascinating playground for exploring spin-splitting effects in the metal monolayers on a semiconductor and, on the other hand, expands greatly the list of material systems prospective for spintronics applications. PMID:23661151

  17. Electronic band structure of magnetic bilayer graphene superlattices

    SciTech Connect

    Pham, C. Huy; Nguyen, T. Thuong

    2014-09-28

    Electronic band structure of the bilayer graphene superlattices with δ-function magnetic barriers and zero average magnetic flux is studied within the four-band continuum model, using the transfer matrix method. The periodic magnetic potential effects on the zero-energy touching point between the lowest conduction and the highest valence minibands of pristine bilayer graphene are exactly analyzed. Magnetic potential is shown also to generate the finite-energy touching points between higher minibands at the edges of Brillouin zone. The positions of these points and the related dispersions are determined in the case of symmetric potentials.

  18. Structurally tunable resonant absorption bands in ultrathin broadband plasmonic absorbers.

    PubMed

    Butun, Serkan; Aydin, Koray

    2014-08-11

    Light absorption is a fundamental optical process playing significantly important role in wide variety of applications ranging from photovoltaics to photothermal therapy. Semiconductors have well-defined absorption bands with low-energy edge dictated by the band gap energy, therefore it is rather challenging to tune the absorption bandwidth of semiconductors. However, resonant absorbers based on plasmonic nanostructures and optical metamaterials emerged as alternative light absorbers due to spectrally selective absorption bands resulting from optical resonances. Recently, a broadband plasmonic absorber design was introduced by Aydin et al. with a reasonably high broadband absorption. Based on that design, here, structurally tunable, broadband absorbers with improved performance are demonstrated. This broadband absorber has a total thickness of 190 nm with 80% average measured absorption (90% simulated absorption) over the entire visible spectrum (400 - 700 nm). Moreover, the effect of the metal and the oxide thicknesses on the absorption spectra are investigated and results indicate that the shorter and the longer band-edge of broadband absorption can be structurally tuned with the metal and the oxide thicknesses, as well as with the resonator size. Detailed numerical simulations shed light on the type of optical resonances that contribute to the broadband absorption response and provide a design guideline for realizing plasmonic absorbers with structurally tunable bandwidths. PMID:25321029

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

    SciTech Connect

    Dey, Anup; Maiti, Biswajit; Chanda, Debasree

    2014-04-14

    A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k{sup →}) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg{sub 1−x}Cd{sub x}Te, and In{sub 1−x}Ga{sub x}As{sub y}P{sub 1−y} lattice matched to InP, as example of III–V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.

  20. Coupling effect of quantum wells on band structure

    NASA Astrophysics Data System (ADS)

    Jie, Chen; Weiyou, Zeng

    2015-10-01

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

  1. Mid-frequency Band Dynamics of Large Space Structures

    NASA Technical Reports Server (NTRS)

    Coppolino, Robert N.; Adams, Douglas S.

    2004-01-01

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

  2. Spin wave band structure of artificial square ices

    NASA Astrophysics Data System (ADS)

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

    Artificial square spin ices are structures composed of magnetic elements located on the sites of a geometrically frustrated, two-dimensional square lattice. Using a semi-analytical approach, we show that square spin ices exhibit a rich spin wave band structure that is tunable both by external magnetic fields and the magnetic state of individual elements. Internal degrees of freedom can give rise to equilibrium states with bent magnetization at the edges of each element, leading to characteristic excitations; in the presence of magnetostatic interactions these form separate bands analogous to impurity bands in semiconductors. Full-scale micromagnetic simulations corroborate our semi-analytical approach. This study shows that the magnon spectra, and therefore group and phase velocities and band gap, can be manipulated by external fields, temperature, or more sophisticated techniques such as using spin torque on individual elements, and suggesting that artificial square spin ices can be used as metamaterials for spin waves. Our results close the gap between the research fields of artificial spin ices and magnonics. E.I. acknowledges the Swedish Research Council, Reg.No. 637-2014-6863. The work by O.H. was funded by the Department of Energy Office of Science, Materials Sciences and Engineering Division. The work by R.L.S. was funded by EPSRC EP/L002922/1.

  3. Tunable and sizable band gap in silicene by surface adsorption

    PubMed Central

    Quhe, Ruge; Fei, Ruixiang; Liu, Qihang; Zheng, Jiaxin; Li, Hong; Xu, Chengyong; Ni, Zeyuan; Wang, Yangyang; Yu, Dapeng; Gao, Zhengxiang; Lu, Jing

    2012-01-01

    Opening a sizable band gap without degrading its high carrier mobility is as vital for silicene as for graphene to its application as a high-performance field effect transistor (FET). Our density functional theory calculations predict that a band gap is opened in silicene by single-side adsorption of alkali atom as a result of sublattice or bond symmetry breaking. The band gap size is controllable by changing the adsorption coverage, with an impressive maximum band gap up to 0.50 eV. The ab initio quantum transport simulation of a bottom-gated FET based on a sodium-covered silicene reveals a transport gap, which is consistent with the band gap, and the resulting on/off current ratio is up to 108. Therefore, a way is paved for silicene as the channel of a high-performance FET. PMID:23152944

  4. Unfolding of collapsed polymers in shear flow: Effects of colloid banding structures in confining channels

    NASA Astrophysics Data System (ADS)

    Chen, Hsieh; Alexander-Katz, Alfredo

    2014-03-01

    Using hydrodynamic simulations, we demonstrate that confined colloidal suspensions can greatly enhance the unfolding of collapsed single polymers in flow. When colloids come in direct contact with the polymers due to the flow, the collapsed chains become flattened or elongated on the surface of the colloids, increasing the probability of forming large chain protrusions that the flow can pull out to unfold the polymers. This phenomenon may be suppressed if the colloid size is commensurate with the confining channels, where the colloids form well-defined banding structures. Here, we analyze the colloid banding structures in detail and their relation to the chain unfolding. We find that for colloid volume fractions up to 30%, the confined colloids form simple cubic (sc), hexagonal (hex), or a mixture of sc + hex structures. By directly changing the heights of the confining channels, we show that the collapsed polymers unfold the most in the mixed sc + hex structures. The diffuse (not well-defined) bands in the mixed sc + hex structures provide the highest collision probability for the colloids and the polymers, thus enhancing unfolding the most. Without colloidal suspensions, we show that the confining channels alone do not have an observable effect on the unfolding of collapsed polymers. The well-defined colloid bands also suppress the unfolding of noncollapsed polymers. In fact, the average size for noncollapsed chains is even smaller in the well-defined bands than in a channel without any colloids. The appearance of well-defined bands in this case also indicates that lift forces experienced by the polymers in confinement are negligible compared to those exerted by the colloidal band structures. Our results may be important for understanding the dynamics of mixed colloid polymer solutions.

  5. Calculation of band structure in (101)-biaxially strained Si

    NASA Astrophysics Data System (ADS)

    Song, Jianjun; Zhang, Heming; Hu, Huiyong; Fu, Qiang

    2009-04-01

    The structure model used for calculation was defined according to Vegard’s rule and Hooke’s law. Calculations were performed on the electronic structures of (101)-biaxially strained Si on relaxed Si1- X Ge X alloy with Ge fraction ranging from X = 0 to 0.4 in steps of 0.1 by CASTEP approach. It was found that [±100] and [00±1] valleys (δ4) splitting from the [0±10] valley (Δ2) constitute the conduction band (CB) edge, that valence band (VB) edge degeneracy is partially lifted and that the electron mass is unaltered under strain while the hole mass decreases in the [100] and [010] directions. In addition, the fitted dependences of CB splitting energy, VB splitting energy and indirect bandgap on X are all linear.

  6. Graphene on Ru(0001): Evidence for two graphene band structures

    SciTech Connect

    Katsiev, Khabibulakh; Losovyj, Yaroslav; Zhou, Zihao; Vescovo, E; Liu, L.; Dowben, P. A.; Goodman, D. Wayne

    2012-05-03

    High-resolution photoemission illustrates that the band structure of graphene on Ru(0001) exhibits a well-defined splitting. This splitting is largest with the graphene directly on the Ru(0001) substrate, whereas with a chemisorbed oxygen spacer layer between the graphene and the metal substrate, this splitting is considerably reduced. This splitting is attributed to a combination of chemical interactions between graphene and Ru(0001) and to screening of the former by the latter, not spin-orbit coupling.

  7. Gold bands as a suitable surface for enzyme immunoassays.

    PubMed

    Abad-Villar, Eva M; Fernndez-Abedul, M Teresa; Costa-Garca, Agustn

    2002-09-01

    Gold bands sputtered over a polymeric material, Kapton, are employed for the development of enzyme immunoassays. The immunological interaction takes place between human IgM and alkaline phosphatase (AP) conjugated anti-IgM. The model analyte (IgM) could be determined following a non-competitive design in the range of 0.05-5 ppm, with a limit of detection of 50 ppb. After the interaction, gold bands are sequentially inserted in a flow system and the extension of the reaction is followed through the enzymatic hydrolysis of naphthylphosphate, AP substrate. The product, naphthol, is oxidised to naphtoquinone in the gold band of the flow cell that constitutes the detector. Parameters affecting the interaction are studied and calibration curves are performed. The reproducibility between different bands (RSD=4%, n=5) and possibilities of regeneration are also detailed. PMID:12191928

  8. Abnormal Grain Growth in Austenite Structure Reversely Transformed from Ferrite/Pearlite-Banded Structure

    NASA Astrophysics Data System (ADS)

    Zhang, Xianguang; Matsuura, Kiyotaka; Ohno, Munekazu

    2014-09-01

    The grain growth behavior of austenite reversely transformed from ferrite/pearlite (F/P)-banded and non-banded steels has been studied. It was found that the grain-coarsening temperature [the temperature at which abnormal grain growth (AGG) occurs] of the initially banded F/P structure is quite low compared with that of the non-banded sample. In the F/P-banded sample, the abnormal grains always originate from the former ferrite region. The occurrence of AGG is essentially attributable not to the austenite nucleation process during heating but to the grain growth process after the completion of austenizing. It was proposed that the lowered grain-coarsening temperature in the banded structure is due to the non-uniform pinning-effect of AlN precipitates between former ferrite and pearlite regions.

  9. Photoelectron spectroscopic study of band alignment of polymer/ZnO photovoltaic device structure

    SciTech Connect

    Nagata, T.; Chikyow, T.; Oh, S.; Wakayama, Y.; Department of Chemistry and Biochemistry, Faculty of Engineering, Kyushu University, 1-1 Namiki, Tsukuba 305-0044 ; Yamashita, Y.; NIMS Beamline Station at SPring-8, National Institute for Materials Science, 1-1-1 Koto, Sayo-cho, Sayo-gun, Hyogo 679-5148 ; Yoshikawa, H.; Kobayashi, K.; Ikeno, N.; Nanotechnology Laboratory, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571

    2013-01-28

    Using x-ray photoelectron spectroscopy, we investigated the band alignment of a Ag/poly(3-hexylthiophene-2,5-diyl) (P3HT)/ZnO photovoltaic structure. At the P3HT/ZnO interface, a band bending of P3HT and a short surface depletion layer of ZnO were observed. The offset between the highest occupied molecular orbital of P3HT and the conduction band minimum of ZnO at the interface contributed to the open circuit voltage (Voc) was estimated to be approximately 1.5 {+-} 0.1 eV, which was bigger than that of the electrically measured effective Voc of P3HT/ZnO photovoltaic devices, meaning that the P3HT/ZnO photovoltaic structure has the potential to provide improved photovoltaic properties.

  10. Band to band tunneling in III-V semiconductors: Implications of complex band structure, strain, orientation, and off-zone center contribution

    SciTech Connect

    Majumdar, Kausik

    2014-05-07

    In this paper, we use a tight binding Hamiltonian with spin orbit coupling to study the real and complex band structures of relaxed and strained GaAs. A simple d orbital on-site energy shift coupled with appropriate scaling of the off-diagonal terms is found to correctly reproduce the band-edge shifts with strain. Four different 〈100〉 strain combinations, namely, uniaxial compressive, uniaxial tensile, biaxial compressive, and biaxial tensile strain are studied, revealing rich valence band structure and strong relative orientation dependent tunneling. It is found that complex bands are unable to provide unambiguous tunneling paths away from the Brillouin zone center. Tunneling current density distribution over the Brillouin zone is computed using non-equilibrium Green's function approach elucidating a physical picture of band to band tunneling.

  11. Global observations of quasi-zonal bands in microwave sea surface temperature

    NASA Astrophysics Data System (ADS)

    Buckingham, C. E.; Cornillon, P. C.; Schloesser, F.; Obenour, K. M.

    2014-08-01

    Global observations of quasi-zonal jet-like structures have recently been reported in estimates of upper ocean circulation. To date, these observations have come primarily from float-derived and altimeter-derived estimates of zonal velocity. Here, we explore the existence of similar structures in the ocean using satellite-derived estimates of sea surface temperature (SST) from the Advanced Microwave Scanning Radiometer for the Earth Observing System (AMSR-E). Applying an ocean front detection algorithm globally to microwave measurements of SST, we find that repeated ocean fronts occur along quasi-zonal bands in a multiyear (2002-2011) average of detections. Such a pattern is also observed in SST gradient magnitude. Composite analyses of SST, sea surface height (SSH), and upper ocean temperatures from Argo profiling floats suggest repeated fronts in the subtropics occur as a result of neighboring anticyclonic and cyclonic eddies. Horizontal advection in the presence of a background temperature gradient likely plays a role as evidenced by the tilt of temperature anomalies with depth. High gradient events found within the bands are observed to propagate westward with speed comparable to mesoscale eddies and we estimate these events explain 20% of the observed variance in SST gradient magnitude (2002-2011). In a final analysis, we regress the decay of the bands with averaging period and observe mild-to-strong persistence throughout much of the World Ocean. These findings support the view that propagating eddies help give rise to the bands. Whether or not eddies follow preferred paths remain unanswered.

  12. Electron band bending of polar, semipolar and non-polar GaN surfaces

    NASA Astrophysics Data System (ADS)

    Bartoš, I.; Romanyuk, O.; Houdkova, J.; Paskov, P. P.; Paskova, T.; Jiříček, P.

    2016-03-01

    The magnitudes of the surface band bending have been determined by X-ray photoelectron spectroscopy for polar, semipolar, and non-polar surfaces of wurtzite GaN crystals. All surfaces have been prepared from crystalline GaN samples grown by the hydride-vapour phase epitaxy and separated from sapphire substrates. The Ga 3d core level peak shifts have been used for band bending determination. Small band bending magnitudes and also relatively small difference between the band bendings of the surfaces with opposite polarity have been found. These results point to the presence of electron surface states of different amounts and types on surfaces of different polarity and confirm the important role of the electron surface states in compensation of the bound surface polarity charges in wurtzite GaN crystals.

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

    NASA Astrophysics Data System (ADS)

    Xiong, Han; Hong, Jing-Song; Jin, Da-Lin

    2013-01-01

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

  14. Surface conduction in encapsulated topological gated structures

    NASA Astrophysics Data System (ADS)

    Deshko, Yury; Korzhovska, Inna; Zhao, Lukas; Arefe, Ghidewon; Konczykowski, Marcin; Krusin-Elbaum, Lia

    2015-03-01

    In three-dimensional (3D) topological insulators (TIs), the surface Dirac fermions intermix with the conducting bulk, thereby complicating access to the low-energy surface charge transport or magnetic response. The subsurface 2D states of bulk origin are vulnerable to bandbending due to surface adatoms, a band modification thought to be responsible for the `ageing' effect. To minimize this effect, we have developed an inert environment mechanical exfoliation technique to fabricate transistor-like gated structures in which prototypical binary TIs as well as ultra-low bulk carrier density ternaries (such as Bi2Te2Se) were encapsulated by thin h-BN layers, with electrical contacts made using exfoliated graphene. The effects of electrostatic tuning by the gate bias voltage on surface conductivity as a function of thickness of the TI layers and the variation with disorder will be presented. Supported by NSF-DMR-1312483, and DOD-W911NF-13-1-0159.

  15. Wireless Channel Characterization in the 5 GHz Microwave Landing System Extension Band for Airport Surface Areas

    NASA Technical Reports Server (NTRS)

    Matolak, David W.

    2007-01-01

    In this project final report, entitled "Wireless Channel Characterization in the 5 GHz Microwave Landing System Extension Band for Airport Surface Areas," we provide a detailed description and model representation for the wireless channel in the airport surface environment in this band. In this executive summary, we review report contents, describe the achieved objectives and major findings, and highlight significant conclusions and recommendations.

  16. Electronic structure of alkane chains. Complete one-dimensional band structures of the valence states

    NASA Astrophysics Data System (ADS)

    Zubrägel, Ch.; Schneider, F.; Neumann, M.; Hähner, G.; Wöll, Ch.; Grunze, M.

    1994-03-01

    Several ultrathin films of oriented alkane chains were studied by ultraviolet photoelectron spectroscopy using UV photons in the energy range of 20-200 eV. From the experimental data the full valence band structure has been determined for self-assembled films of long-chain n-alkanethiols, Langmuir-Blodgett films of Cd-arachidate and thin films of hexatriacontane. Significant deviations from band structures obtained by ab initio calculations of Karpfen are found at the boundary of the one-dimensional Brillouin zone. Furthermore it is demonstrated that a mapping of the one-dimensional band structure can be used for precisely determining tilt angles of alkane chains.

  17. Fabrication of x-band accelerating structures at Fermilab

    SciTech Connect

    Tug T Arkan et al.

    2004-07-20

    The RF Technology Development group at Fermilab is working together with the NLC and GLC groups at SLAC and KEK on developing technology for room temperature X-band accelerating structures for a future linear collider. We built six 60-cm long, high phase advance, detuned structures (HDS or FXB series). These structures have 150 degrees phase advance per cell, and are intended for high gradient tests. The structures were brazed in a vacuum furnace with a partial pressure of argon, rather than in a hydrogen atmosphere. We have also begun to build 60-cm long, damped and detuned structures (HDDS or FXC/FXD series). We have built 5 FXC and 1 FXD structures. Our goal was to build six structures for the 8-pack test at SLAC by the end of March 2004, as part of the GLC/NLC effort to demonstrate the readiness of room temperature RF technology for a linear collider. This paper describes the RF structure factory infrastructure (clean rooms, vacuum furnaces, vacuum equipment, RF equipment etc.), and the fabrication techniques utilized (the machining of copper cells/couplers, quality control, etching, vacuum brazing, cleanliness requirements etc.) for the production of FXB and FXC/FXD structures.

  18. Birefringence and band structure of CdP2 crystals

    NASA Astrophysics Data System (ADS)

    Beril, S. I.; Stamov, I. G.; Syrbu, N. N.; Zalamai, V. V.

    2013-08-01

    The spatial dispersion in CdP2 crystals was investigated. The dispersion is positive (nk||с>nk||у) at λ>λ0 and negative (nk||сbands. Minimal direct energy intervals correspond to transitions Г1→Г1 for Е||с and Г2→Г1 for Е⊥с. 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 Г1→Г1 and Г2→Г1 band gap correspondingly. Reflectivity spectra were measured for energy interval 1.5-10 eV and optical functions (n, k, ε1, ε2,d2ε1/dE2 and d2ε2/dE2) were calculated by using Kramers-Kronig analyses. All features were interpreted as optical transitions on the basis of both theoretical calculations of band structure.

  19. Electronic Band Structure And Kondo Coupling in YbRh(2)Si(2)

    SciTech Connect

    Wigger, G.A.; Baumberger, F.; Shen, Z.X.; Yin, Z.P.; Pickett, W.E.; Maquilon, S.; Fisk, Z.; /UC, Davis

    2007-09-26

    The electronic band structure of YbRh{sub 2}Si{sub 2} is calculated in a relativistic framework including correlation corrections and magnetization of the Yb ion and compared to detailed angle-resolved photoemission spectra. The photoemission spectra for LuRh{sub 2}Si{sub 2} are used as reference to identify electronic bands with no f symmetry. The calculated band structure manifests a 4f{sup 13} spin-polarized configuration leaving the unoccupied state at 1.4 eV above the Fermi energy. At the band theory level, the 4f bands are located far below the Fermi level and the anisotropic Coulomb interaction within the 4f shell spreads the multilevel into broader 4f complexes below -2.5 eV. The photoemission spectra obtained on YbRh2Si2 show a clear f-multilevel splitting into j=7/2 and 5/2 excitations. The interaction of the 4f{sub 7/2} levels close to the Fermi energy with two conduction bands shows visible hybridization gaps of 45 and 80 meV, respectively. We discuss the origin of these excitations and provide an analysis according to Anderson's single-impurity model with parameters suggested by the band-structure calculation and the photoemission spectra. Both experiment and theory indicate nearly identical Fermi surfaces for LuRh{sub 2}Si{sub 2} and YbRh{sub 2}Si{sub 2}. The valency of Yb in YbRh{sub 2}Si{sub 2} is estimated to be close to +3.

  20. Lineshapes, Lifetimes and Spin-split Bands at the Surfaces of Non-magnetic Solids

    NASA Astrophysics Data System (ADS)

    Jensen, Eric

    1997-03-01

    Photoelectron spectroscopic studies of intrinsic surface states at the surfaces of simple solids provide unique opportunities to study quasiparticle decay processes, to observe new phenomena due to reduced dimensionality/symmetry, and to test our understanding of the physics of photoemission. These efforts challenge the current limits of energy and momentum resolution of the technique, and of our ability to prepare high quality surfaces. It has recently been shown that the temperature dependence of surface state linewidths can be simply understood in terms of phonon contributions to hole lifetimes, and that the electron phonon mass enhancement parameter λ appropriate for the surface can be determined.(B.A. McDougall et al, Phys. Rev. B51, 13891 (1995)) In copper and gold the surface λ determined in this way is very similar to the bulk value. In beryllium λ is much larger at the surface than in the bulk (nearly unity at the surface, and about one quarter in the bulk); this can be semiquantitatively understood in terms of the large ratio of the surface to bulk density of electronic states at the Fermi level.(P.J. Feibelman and R. Stumpf, Phys. Rev. B50, 17489 (1994)) The net linewidth is not yet understood for any surface state, and is always larger than expected. This may be due to lifetime contributions from impurities/defects at concentrations undetectable by other techniques, or it may be an indication of inadequate understanding of the physics of photoemission or of the electronic structure of surfaces. It has also recently been observed that surface state bands will be spin-split even in non-magnetic solids due to the combination of spin-orbit coupling and the absence of inversion symmetry.(S. LaShell et al, Phys. Rev. Lett. 77, 3419 (1996)) On the Au(111) surface the spin splitting is 110 meV as the upper band crosses the Fermi level. The splitting of the spin degeneracy for levels at and near the Fermi level creates new low energy excitations and changes the electronic response to applied fields. In the simplest description, however, it does not lead to any net or spatially varying spin density.

  1. X-BAND TRAVELING WAVE RF DEFLECTOR STRUCTURES

    SciTech Connect

    Wang, J.W.; Tantawi, S.; /SLAC

    2008-12-18

    Design studies on the X-Band transverse RF deflectors operating at HEM{sub ll} mode have been made for two different applications. One is for beam measurement of time-sliced emittance and slice energy spread for the upgraded LCLS project, its optimization in RF efficiency and system design are carefully considered. Another is to design an ultra-fast RF kicker in order to pick up single bunches from the bunch-train of the B-factory storage ring. The challenges are to obtain very short structure filling time with high RF group velocity and good RF efficiency with reasonable transverse shunt impedance. Its RF system will be discussed.

  2. Engineering band structure in nanoscale quantum-dot supercrystals.

    PubMed

    Baimuratov, Anvar S; Rukhlenko, Ivan D; Fedorov, Anatoly V

    2013-07-01

    Supercrystals made of periodically arranged semiconductor quantum dots (QDs) are promising structures for nanophotonics applications due to almost unlimited degrees of freedom enabling fine tuning of their optical responses. Here we demonstrate broad engineering opportunities associated with the possibility of tailoring the energy bands of excitons in two-dimensional quantum-dot supercrystals through the alteration in the QD arrangement. These opportunities offer an unprecedented control over the optical properties of the supercrystals, which may be used as a versatile material base for advanced photonics devices on the nanoscale. PMID:23811895

  3. Band Structure Asymmetry of Bilayer Graphene Revealed by Infrared Spectroscopy

    SciTech Connect

    Li, Z.Q.; Henriksen, E.A.; Jiang, Z.; Hao, Zhao; Martin, Michael C.; Kim, P.; Stormer, H.L.; Basov, Dimitri N.

    2008-12-10

    We report on infrared spectroscopy of bilayer graphene integrated in gated structures. We observe a significant asymmetry in the optical conductivity upon electrostatic doping of electrons and holes. We show that this finding arises from a marked asymmetry between the valence and conduction bands, which is mainly due to the inequivalence of the two sublattices within the graphene layer and the next-nearest-neighbor interlayer coupling. From the conductivity data, the energy difference of the two sublattices and the interlayer coupling energy are directly determined.

  4. Anomalous quasiparticle lifetime in graphite: Band structure effects

    SciTech Connect

    Spataru, Catalin D.; Cazalilla, Miguel A.; Rubio, Angel; Benedict, Lorin X.; Echenique, Pedro M.; Louie, Steven G.

    2001-05-15

    We report ab initio calculations of quasiparticle lifetimes in graphite, as determined from the imaginary part of the self-energy operator within the GW approximation. The inverse lifetime in the energy range from 0.5 to 3.5 eV above the Fermi level presents significant deviations from the quadratic behavior naively expected from Fermi liquid theory. The deviations are explained in terms of the unique features of the band structure of this material. We also discuss the experimental results from different groups and make some predictions for future experiments.

  5. Evidence for a diamondlike electronic band structure of Si multilayers on Ag(111)

    NASA Astrophysics Data System (ADS)

    Mahatha, S. K.; Moras, P.; Sheverdyaeva, P. M.; Flammini, R.; Horn, K.; Carbone, C.

    2015-12-01

    Silicon multilayers on Ag(111) have been suggested to exhibit the structure of silicene, a material that has been heralded as a novel basis for microelectronic applications. However, our angle-resolved photoemission spectra (ARPES) from silicon multilayers on Ag(111) and of the silver-induced reconstruction of Si(111) demonstrate, from the close match in the valence level band structures, that the films exhibit a s p3 diamondlike structure. This refutes the interpretation of silicon multilayers on Ag(111) as silicene, a conclusion that is strengthened by the observation from core level photoemission that significant silver segregation occurs to the surface of these layers.

  6. Multi-band polarization insensitive metamaterial absorber with dual cross-wires structure

    NASA Astrophysics Data System (ADS)

    Yao, Li-fang; Li, Min-hua; Zhai, Xiao-min; Wang, Hui-bo; Dong, Jian-feng

    2015-11-01

    A five-band metamaterial absorber (MMA) based on a simple planar structure is proposed. It utilizes different areas of a single unit cell to match impedance, and produces different absorptive frequencies. Numerical calculation shows that the MMA has five different absorption peaks at 3.78 GHz, 7.66 GHz, 10.9 GHz, 14.5 GHz and 16.7 GHz, and their absorption rates reach 95.5%, 98.6%, 95.7%, 96.6% and 99.8%, respectively. The proposed structure is polarization insensitive for transverse electric (TE) and transverse magnetic (TM) incident waves. Also, the absorptive characteristics over large incident angles are examined. In addition, we analyze the absorption mechanism by the surface current density and power flow density distributions. This simple structure provides a way to design multi-band MMA, and also saves the cost of fabrication.

  7. Compressive Broad-Band Hyperspectral Sum Frequency Generation Microscopy to Study Functionalized Surfaces.

    PubMed

    Zheng, Desheng; Lu, Liyang; Li, Yun; Kelly, Kevin F; Baldelli, Steven

    2016-05-19

    A broad-band sum frequency generation microscope has been developed for the study of molecular monolayers on surfaces. Because sum frequency generation is a vibrational spectroscopy based on a second-order optical process, it is uniquely sensitive to detecting a molecule's vibrational fingerprints specifically at interfaces. In this microscope, a structured illumination beam generated by a spatial light modulator is used to irradiate the sample with a series of sparsifying pseudorandom patterns. The spectra associated with each pattern are then input into a reconstruction algorithm to compressively recover the full hyperspectral image cube. As a proof-of-principle, this system performed molecule-specific imaging of a microcontact-printed self-assembled monolayer of alkanethiolate on copper. This hyperspectral compressive imaging effectively recovered both spatial and spectral surface features with compression greater than 80%, meaning more than a 5-fold decrease in acquisition time compared to traditional methods. PMID:27121296

  8. Exciton Band Structure in Two-Dimensional Materials.

    PubMed

    Cudazzo, Pierluigi; Sponza, Lorenzo; Giorgetti, Christine; Reining, Lucia; Sottile, Francesco; Gatti, Matteo

    2016-02-12

    Low-dimensional materials differ from their bulk counterparts in many respects. In particular, the screening of the Coulomb interaction is strongly reduced, which can have important consequences such as the significant increase of exciton binding energies. In bulk materials the binding energy is used as an indicator in optical spectra to distinguish different kinds of excitons, but this is not possible in low-dimensional materials, where the binding energy is large and comparable in size for excitons of very different localization. Here we demonstrate that the exciton band structure, which can be accessed experimentally, instead provides a powerful way to identify the exciton character. By comparing the ab initio solution of the many-body Bethe-Salpeter equation for graphane and single-layer hexagonal boron nitride, we draw a general picture of the exciton dispersion in two-dimensional materials, highlighting the different role played by the exchange electron-hole interaction and by the electronic band structure. Our interpretation is substantiated by a prediction for phosphorene. PMID:26919006

  9. Exciton Band Structure in Two-Dimensional Materials

    NASA Astrophysics Data System (ADS)

    Cudazzo, Pierluigi; Sponza, Lorenzo; Giorgetti, Christine; Reining, Lucia; Sottile, Francesco; Gatti, Matteo

    2016-02-01

    Low-dimensional materials differ from their bulk counterparts in many respects. In particular, the screening of the Coulomb interaction is strongly reduced, which can have important consequences such as the significant increase of exciton binding energies. In bulk materials the binding energy is used as an indicator in optical spectra to distinguish different kinds of excitons, but this is not possible in low-dimensional materials, where the binding energy is large and comparable in size for excitons of very different localization. Here we demonstrate that the exciton band structure, which can be accessed experimentally, instead provides a powerful way to identify the exciton character. By comparing the ab initio solution of the many-body Bethe-Salpeter equation for graphane and single-layer hexagonal boron nitride, we draw a general picture of the exciton dispersion in two-dimensional materials, highlighting the different role played by the exchange electron-hole interaction and by the electronic band structure. Our interpretation is substantiated by a prediction for phosphorene.

  10. Photonic band structure calculations using nonlinear eigenvalue techniques

    SciTech Connect

    Spence, Alastair; Poulton, Chris . E-mail: c.poulton@ihq.uni-karlsruhe.de

    2005-03-20

    This paper considers the numerical computation of the photonic band structure of periodic materials such as photonic crystals. This calculation involves the solution of a Hermitian nonlinear eigenvalue problem. Numerical methods for nonlinear eigenvalue problems are usually based on Newton's method or are extensions of techniques for the standard eigenvalue problem. We present a new variation on existing methods which has its derivation in methods for bifurcation problems, where bordered matrices are used to compute critical points in singular systems. This new approach has several advantages over the current methods. First, in our numerical calculations the new variation is more robust than existing techniques, having a larger domain of convergence. Second, the linear systems remain Hermitian and are nonsingular as the method converges. Third, the approach provides an elegant and efficient way of both thinking about the problem and organising the computer solution so that only one linear system needs to be factorised at each stage in the solution process. Finally, first- and higher-order derivatives are calculated as a natural extension of the basic method, and this has advantages in the electromagnetic problem discussed here, where the band structure is plotted as a set of paths in the ({omega},k) plane.

  11. Nutrient loss in leachate and surface runoff from surface-broadcast and subsurface-banded broiler litter.

    PubMed

    Lamba, Jasmeet; Srivastava, Puneet; Way, Thomas R; Sen, Sumit; Wood, C Wesley; Yoo, Kyung H

    2013-09-01

    Subsurface band application of poultry litter has been shown to reduce the transport of nutrients from fields in surface runoff compared with conventional surface broadcast application. Little research has been conducted to determine the effects of surface broadcast application and subsurface banding of litter on nutrients in leachate. Therefore, a field experiment was conducted to determine the effects of subsurface band application and surface broadcast application of poultry litter on nutrient losses in leachate. Zero-tension pan and passive capillary fiberglass wick lysimeters were installed in situ 50 cm beneath the soil surface of an established tall fescue ( Schreb.) pasture on a sandy loam soil. The treatments were surface broadcast and subsurface-banded poultry litter at 5 Mg ha and an unfertilized control. Results of the rainfall simulations showed that the concentrations of PO-P and total phosphorus (TP) in leachate were reduced by 96 and 37%, respectively, in subsurface-banded litter treatment compared with the surface-applied litter treatment. There was no significant difference in PO-P concentration between control and subsurface-banded litter treatment in leachate. The trend in the loading of nutrients in leachate was similar to the trend in concentration. Concentration and loading of the nutrients (TP, PO-P, NH-N, and NO-N) in runoff from the subsurface-banded treatment were significantly less than for the surface-applied treatment and were similar to those from control plots. These results show that, compared with conventional surface broadcast application of litter, subsurface band application of litter can greatly reduce loss of P in surface runoff and leachate. PMID:24216435

  12. InGaAs inversion layers band structure, electrostatics, and mobility modeling based on 8 band k → · p → theory

    NASA Astrophysics Data System (ADS)

    Pham, Anh-Tuan; Jin, Seonghoon; Choi, Woosung; Lee, Myoung-Jae; Cho, Seong-Ho; Kim, Young-Tae; Lee, Keun-Ho; Park, Youngkwan

    2015-11-01

    8 band k → · p → method is used to calculate subband structures of InGaAs inversion layers accounting for strong coupling between conduction and valence bands around Γ point as well as quantum confinement. Inversion layer mobility is computed employing Kubo-Greenwood formalism. Scatterings due to acoustic phonons, polar optical phonons, ionized impurities, interface fixed charges, surface roughness, and alloy disorder are included. The simulated low-field electron mobility results are in good agreement with experimental data with and without an InP capping layer.

  13. A PARAMETERIZED SURFACE REFLECTIVITY MODEL AND ESTIMATION OF BARE SURFACE SOIL MOISTURE WITH L-BAND RADIOMETER

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Soil moisture is an important parameter for hydrological and climatic investigations. Future satellite missions with L-band passive microwave radiometers will significantly increase the capability of monitoring Earth's soil moisture globally. Understanding the effects of surface roughness on microwa...

  14. Nutrient loss in leachate and surface runoff from surface-broadcast and subsurface-banded broiler litter

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Subsurface band application of poultry litter has been shown to reduce the transport of nutrients from fields in surface runoff, compared to the conventional surface broadcast application. Little in situ research has been conducted to determine effects of surface broadcast application and subsurfac...

  15. The effect of spin-orbit coupling in band structure of few-layer graphene

    SciTech Connect

    Sahdan, Muhammad Fauzi Darma, Yudi

    2014-03-24

    Topological insulators are electronic materials that have a bulk band gap like an ordinary insulator but have protected conducting states on their edge or surface. This can be happened due to spin-orbit coupling and time-reversal symmetry. Moreover, the edge current flows through their edge or surface depends on its spin orientation and also it is robust against non-magnetic impurities. Therefore, topological insulators are predicted to be useful ranging from spintronics to quantum computation. Graphene was first predicted to be the precursor of topological insulator by Kane-Mele. They developed a Hamiltonian model to describe the gap opening in graphene. In this work, we investigate the band structure of few-layer graphene by using this model with analytical approach. The results of our calculations show that the gap opening occurs at K and K’ point, not only in single layer, but also in bilayer and trilayer graphene.

  16. Effects of surface oxide formation on germanium nanowire band-edge photoluminescence

    SciTech Connect

    Minaye Hashemi, Fatemeh Sadat; Laboratoire des Materiaux Semiconducteurs, Ecole Polytechnique Federale de Lausanne, 1015 Lausanne ; Thombare, Shruti; Brongersma, Mark L.; Morral, Anna Fontcuberta i; McIntyre, Paul C.; Geballe Laboratory for Advanced Materials, Stanford University, Stanford, California 94305

    2013-06-24

    The effect of intentional surface oxide formation on band-edge photoluminescence (PL) of Ge nanowires was investigated. Thermal oxidation in molecular O{sub 2} was used to produce a surface oxide layer on assemblies of single crystal nanowires grown by the vapor-liquid-solid method. With increasing oxidation of the wires, the band-edge PL associated with the indirect gap transition becomes more intense. X-ray photoelectron spectroscopy confirms the formation of an increasingly GeO{sub 2}-like surface oxide under annealing conditions that enhance the indirect-gap PL, consistent with surface oxide passivation of nonradiative recombination centers initially present on the nanowire surface.

  17. Full band gap for surface acoustic waves in a piezoelectric phononic crystal.

    PubMed

    Laude, Vincent; Wilm, Mikaël; Benchabane, Sarah; Khelif, Abdelkrim

    2005-03-01

    A plane-wave-expansion method suited to the analysis of surface-acoustic-wave propagation in two-dimensional piezoelectric phononic crystals is described. The surface modes of a square-lattice Y-cut lithium niobate phononic crystal with circular void inclusions with a filling fraction of 63% are identified. It is found that a large full band gap with a fractional bandwidth of 34% exists for surface acoustic waves of any polarization and incidence, coincidentally with the full band gap for bulk waves propagating in the plane of the surface. The excitation of surface acoustic waves by interdigital transducers is discussed. PMID:15903605

  18. Semiconductor nanocrystals: structure, properties, and band gap engineering.

    PubMed

    Smith, Andrew M; Nie, Shuming

    2010-02-16

    Semiconductor nanocrystals are tiny light-emitting particles on the nanometer scale. Researchers have studied these particles intensely and have developed them for broad applications in solar energy conversion, optoelectronic devices, molecular and cellular imaging, and ultrasensitive detection. A major feature of semiconductor nanocrystals is the quantum confinement effect, which leads to spatial enclosure of the electronic charge carriers within the nanocrystal. Because of this effect, researchers can use the size and shape of these "artificial atoms" to widely and precisely tune the energy of discrete electronic energy states and optical transitions. As a result, researchers can tune the light emission from these particles throughout the ultraviolet, visible, near-infrared, and mid-infrared spectral ranges. These particles also span the transition between small molecules and bulk crystals, instilling novel optical properties such as carrier multiplication, single-particle blinking, and spectral diffusion. In addition, semiconductor nanocrystals provide a versatile building block for developing complex nanostructures such as superlattices and multimodal agents for molecular imaging and targeted therapy. In this Account, we discuss recent advances in the understanding of the atomic structure and optical properties of semiconductor nanocrystals. We also discuss new strategies for band gap and electronic wave function engineering to control the location of charge carriers. New methodologies such as alloying, doping, strain-tuning, and band-edge warping will likely play key roles in the further development of these particles for optoelectronic and biomedical applications. PMID:19827808

  19. Semiconductor Nanocrystals: Structure, Properties, and Band Gap Engineering

    PubMed Central

    SMITH, ANDREW M.; NIE, SHUMING

    2010-01-01

    Semiconductor nanocrystals are tiny light-emitting particles on the nanometer scale. Researchers have studied these particles intensely and have developed them for broad applications in solar energy conversion, optoelectronic devices, molecular and cellular imaging, and ultrasensitive detection. A major feature of semiconductor nanocrystals is the quantum confinement effect, which leads to spatial enclosure of the electronic charge carriers within the nanocrystal. Because of this effect, researchers can use the size and shape of these “artificial atoms” to widely and precisely tune the energy of discrete electronic energy states and optical transitions. As a result, researchers can tune the light emission from these particles throughout the ultraviolet, visible, near-infrared, and mid-infrared spectral ranges. These particles also span the transition between small molecules and bulk crystals, instilling novel optical properties such as carrier multiplication, single-particle blinking, and spectral diffusion. In addition, semiconductor nanocrystals provide a versatile building block for developing complex nanostructures such as superlattices and multimodal agents for molecular imaging and targeted therapy. In this Account, we discuss recent advances in the understanding of the atomic structure and optical properties of semiconductor nanocrystals. We also discuss new strategies for band gap and electronic wave function engineering to control the location of charge carriers. New methodologies such as alloying, doping, strain-tuning, and band-edge warping will likely play key roles in the further development of these particles for optoelectronic and biomedical applications. PMID:19827808

  20. Manifestation of a Second Dirac Surface State and Bulk Bands in THz Radiation from Topological Insulators

    PubMed Central

    Tu, Chien-Ming; Yeh, Tien-Tien; Tzeng, Wen-Yen; Chen, Yi-Ru; Chen, Hsueh-Ju; Ku, Shin-An; Luo, Chih-Wei; Lin, Jiunn-Yuan; Wu, Kaung-Hsiung; Juang, Jenh-Yih; Kobayashi, Takayoshi; Cheng, Cheng-Maw; Tsuei, Ku-Ding; Berger, Helmuth; Sankar, Raman; Chou, Fang-Cheng

    2015-01-01

    Topological insulators (TIs) are interesting quantum matters that have a narrow bandgap for bulk and a Dirac-cone-like conducting surface state (SS). The recent discovered second Dirac surface state (SS) and bulk bands (BBs) located ~1.5 eV above the first SS are important for optical coupling in TIs. Here, we report on the time-domain measurements of THz radiation generated from TIs n-type Cu0.02Bi2Se3 and p-type Bi2Te3 single crystals by ultrafast optical pulse excitation. The observed polarity-reversal of the THz pulse originated from transient current is unusual, and cannot be reconciled with the photo-Dember effect. The second SS and BBs are found to be indispensable for the explanation of the unusual phenomenon. Thanks to the existence of the second SS and BBs, TIs manifest an effective wide band gap in THz generation. The present study demonstrates that time-domain THz spectroscopy provide rich information of the optical coupling and the electronic structure of TIs. PMID:26370337

  1. Manifestation of a Second Dirac Surface State and Bulk Bands in THz Radiation from Topological Insulators

    NASA Astrophysics Data System (ADS)

    Tu, Chien-Ming; Yeh, Tien-Tien; Tzeng, Wen-Yen; Chen, Yi-Ru; Chen, Hsueh-Ju; Ku, Shin-An; Luo, Chih-Wei; Lin, Jiunn-Yuan; Wu, Kaung-Hsiung; Juang, Jenh-Yih; Kobayashi, Takayoshi; Cheng, Cheng-Maw; Tsuei, Ku-Ding; Berger, Helmuth; Sankar, Raman; Chou, Fang-Cheng

    2015-09-01

    Topological insulators (TIs) are interesting quantum matters that have a narrow bandgap for bulk and a Dirac-cone-like conducting surface state (SS). The recent discovered second Dirac surface state (SS) and bulk bands (BBs) located ~1.5?eV above the first SS are important for optical coupling in TIs. Here, we report on the time-domain measurements of THz radiation generated from TIs n-type Cu0.02Bi2Se3 and p-type Bi2Te3 single crystals by ultrafast optical pulse excitation. The observed polarity-reversal of the THz pulse originated from transient current is unusual, and cannot be reconciled with the photo-Dember effect. The second SS and BBs are found to be indispensable for the explanation of the unusual phenomenon. Thanks to the existence of the second SS and BBs, TIs manifest an effective wide band gap in THz generation. The present study demonstrates that time-domain THz spectroscopy provide rich information of the optical coupling and the electronic structure of TIs.

  2. Resonant inelastic x-ray scattering as a band structure probe of high-temperature superconductors

    NASA Astrophysics Data System (ADS)

    Kanasz-Nagy, Marton; Shi, Yifei; Klich, Israel; Demler, Eugene

    I will analyze recent resonant inelastic x-ray scattering (RIXS) experimental data on YBa2Cu3O6 + x [Minola et al., Phys. Rev. Lett. 114, 217003 (2015)] within quasi-particle theory. This measurement has been performed with the incoming photon energy detuned at several values from the resonance maximum, and, surprisingly, the data shows much weaker dependence on detuning than expected from recent measurements on a different cuprate superconductor, Bi2Sr2CuO6 + x [Guarise et al., Nat. Commun. 5, 5760 (2014)]. I will demonstrate, that this discrepancy, originally attributed to collective magnetic excitations, can be understood in terms of the differences between the band structures of these materials. We found good agreement between theory and experiment over a large range of dopings [M. Kanasz-Nagy et al., arXiv:1508.06639]. Moreover, I will demonstrate that the RIXS signal depends sensitively on excitations at energies well above the Fermi surface, that are inaccessible to traditionally used band structure probes, such as angle-resolved photoemission spectroscopy. This makes RIXS a powerful probe of band structure, not suffering from surface preparation problems and small sample sizes, making it potentially applicable to a wide range of materials. The work of M. K.-N. was supported by the Harvard-MIT CUA, NSF Grant No. DMR-1308435, AFOSR Quantum Simulation MURI, the ARO-MURI on Atomtronics, and ARO MURI Quism program.

  3. Coral Skeleton Density Banding: Biotic Response to Changes in Sea Surface Temperature

    NASA Astrophysics Data System (ADS)

    Hill, C. A.; Sivaguru, M.; Fried, G. A.; Fouke, B. W.

    2010-12-01

    Density bands in the CaCO3 (aragonite) skeleton of scleractinian corals are commonly used as chronometers, where crystalline couplets of high and low density bands represent the span of one year. Isotopic analysis of these density bands provides a sensitive reconstructive tool for paleoclimatology and paleoecology. However, the detailed biotic mechanisms controlling coral skeleton aragonite nucleation and crystallization events and resulting skeletal growth rate remain uncertain. The coral tissue organic matrix, composed of macromolecules secreted by the calicoblastic ectoderm, is closely associated with skeletal precipitation and is itself incorporated into the skeleton. We postulate that density banding is primarily controlled by changes in the rate of aragonite crystal precipitation mediated by the coral holobiont response to changes in sea surface temperature (SST). To test this hypothesis, data were collected from coral skeleton-tissue biopsies (2.5 cm in diameter) extracted from four species of Montastraea growing on the fringing reef tract of Curacao, Netherlands Antilles. Annual mean variation in SST on Curacao range from 29o in mid-September to 26o C in late February. Samples were collected at strategic time periods spanning the 3o C annual variations in SST. Our nanometer-scale optical analyses of skeletal morphology have revealed consistent changes between high- and low-skeletal density bands, resulting in an 11% increase in the volume of aragonite precipitated in high-density skeletal bands. The re-localization and/or change in abundance of mucus, carbonic anhydrase (a molecule that catalyzes the hydration of carbon dioxide), calmodulin (a calcium-binding protein) and the change in density of gastrodermal symbiotic dinoflagellates has permitted estimates of seasonally-fluctuating carbon allocation by the coral holobiont in response to changing environmental conditions. This digital reconstruction of over 2000 images of one-micron-thick histological sections of Montastraea annularis tissue yields a three-dimensional digital elevation map of coral tissue. This technique allows three-dimensional mapping of the cellular and molecular components of coral tissue in the context of the structure of an entire polyp.

  4. Extended Hückel theory for band structure, chemistry, and transport. II. Silicon

    NASA Astrophysics Data System (ADS)

    Kienle, D.; Bevan, K. H.; Liang, G.-C.; Siddiqui, L.; Cerda, J. I.; Ghosh, A. W.

    2006-08-01

    In this second paper, we develop transferable semiempirical extended Hückel theoretical (EHT) parameters for the electronic structure of another technologically important material, namely, silicon. The EHT parameters are optimized to experimental target values of the band dispersion of bulk silicon. We quantitatively benchmark our parameters to bulk electronic properties such as band edge energies and locations, effective masses, and spin-orbit coupling parameters, competitive with a nearest-neighbor sp3d5s* orthogonal tight-binding model for silicon of T. Boykin et al. [Phys. Rev. B 69, 115201 (2004)] that has been widely used to model silicon-based devices (see, e.g., A. Rahman et al. [Jpn. J. Appl. Phys. Part I 44, 2187 (2005)] and J. Wang et al. [Appl. Phys. Lett. 86, 093113 (2005)]). The transferability of the parameters is checked for multiple physical and chemical configurations, specifically, two different reconstructed surfaces, Si(100)-(2×1) and Si(111)-(2×1). The robustness of the parameters to different environments is demonstrated by comparing the surface band structures with density functional theory GW calculations and photoemission/inverse photoemission experiments. We further apply the approach to calculate the one-dimensional band dispersion of an unrelaxed rectangular silicon nanowire and explore the chemistry of surface passivation by hydrogen. Our EHT parameters thus provide a quantitative model of bulk silicon and silicon-based interfaces such as contacts and reconstructed surfaces, which are essential ingredients towards a quantitative quantum transport simulation through silicon-based heterostructures.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

  6. Invariant expansion for the trigonal band structure of graphene

    NASA Astrophysics Data System (ADS)

    Winkler, R.; Zülicke, U.

    2010-12-01

    We present a symmetry analysis of the trigonal band structure in graphene, elucidating the transformational properties of the underlying basis functions and the crucial role of time-reversal invariance. Group theory is used to derive an invariant expansion of the Hamiltonian for electron states near the K points of the graphene Brillouin zone. Besides yielding the characteristic k -linear dispersion and higher oder corrections to it, this approach enables the systematic incorporation of all terms arising from external electric and magnetic fields, strain, and spin-orbit coupling up to any desired order. Several new contributions are found, in addition to reproducing results obtained previously within tight-binding calculations. Physical ramifications of these new terms are discussed.

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

    NASA Astrophysics Data System (ADS)

    Cascales Sandoval, Juan Pedro; Martinez, Isidoro; Guerrero, Ruben; Chang, Cui-Zu; Katmis, Ferhat; Moodera, Jagadeesh; Aliev, Farkhad

    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 tunnelling and noise spectroscopy utilizing TI/Al2O3/Co tunnel junctions with bottom TI electrodes of either Bi2Te3 or Bi2Se3. We demonstrate that features related to the band structure of the TI materials show up in the tunnelling 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.

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

    NASA Astrophysics Data System (ADS)

    Cascales, Juan Pedro; Martínez, Isidoro; Katmis, Ferhat; Chang, Cui-Zu; Guerrero, Rubén; Moodera, Jagadeesh S.; Aliev, Farkhad G.

    2015-12-01

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

  9. Extended Hückel theory for band structure, chemistry, and transport. I. Carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Kienle, D.; Cerda, J. I.; Ghosh, A. W.

    2006-08-01

    We describe a semiempirical atomic basis extended Hückel theoretical (EHT) technique that can be used to calculate bulk band structure, surface density of states, electronic transmission, and interfacial chemistry of various materials within the same computational platform. We apply this method to study multiple technologically important systems, starting with carbon nanotubes and their interfaces and silicon-based heterostructures in our follow-up paper [D. Kienle et al., J. Appl. Phys. 100, 043715 (2006), following paper]. We find that when it comes to quantum transport through interesting, complex heterostructures including gas molecules adsorbed on nanotubes, the Hückel band structure offers a fair and practical compromise between orthogonal tight-binding theories with limited transferability between environments under large distortion and density functional theories that are computationally quite expensive for the same purpose.

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

    PubMed Central

    Parshin, Alexander M.; Gunyakov, Vladimir A.; Zyryanov, Victor Y.; Shabanov, Vasily F.

    2013-01-01

    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. PMID:23965955

  11. Slip band distribution and morphology in cyclically deformed nickel polycrystals with ion beam mixed surface films

    SciTech Connect

    Grummon, D.S.; Jones, J.W.; Eridon, J.; Was, G.S.; Rehn, L.E.

    1986-08-01

    It is shown that surface modification by ion beam mixing produces potentially beneficial effects on cyclic deformation phenomena associated with fatigue crack initiation. The principal effects of the modifications are to suppress the formation of the notch-peak surface topography of persistent slip bands (PSBs) and inhibit the net extrusion of PSBs from the free surface. The dominant ''failure mode'' of the surface is changed from extrusion and notch formation to surface film rupture.

  12. The reflection and transmission properties of a triple band dichroic surface

    NASA Technical Reports Server (NTRS)

    Schneider, S. W.; Munk, B. A.

    1990-01-01

    The development of a triple-band dichroic surface design is detailed that is reflective in the Ka-band from 22.5 to 27.3 GHz and the Ku-band from 13.7 to 15.1 GHz, yet transparent in the S-band from 2.0 to 2.3 GHz, for all planes of incidence, and for all angles of incidence out to eta = 45 deg. The design is comprised of two gangbuster whole-surfaces separated by a distance, d, that is comparable to a fraction of a wavelength in S-band, and enhanced by the addition of a dielectric matching plate. The gangbuster array is comprised of tightly packed straight skewed dipole elements referred to as half-surfaces. Two of these half-surfaces are oriented orthogonal to each other and placed an array separation distance, s, apart to form the gangbuster whole-surface which allows any arbitrary plane of incidence. Results are given for the triple-band design with and without dielectric and conduction losses. The cross polarization properties of the dichroic surface was further investigated. It is shown that the reflection cross polarized component is dominated by the geometry of the front whole surface of the design (particularly the array separation s) and is never more than -22.5 dB in the frequency band 0 to 30 GHz. The transmission cross polarization component is dependent on both whole-surfaces and is never more than -30 dB in the same frequency band.

  13. Effects of non-lasing band in two-dimensional photonic-crystal lasers clarified using omnidirectional band structure.

    PubMed

    Kurosaka, Yoshitaka; Hirose, Kazuyoshi; Watanabe, Akiyoshi; Sugiyama, Takahiro; Liang, Yong; Noda, Susumu

    2012-09-10

    We investigated the effects of non-lasing bands on the beam patterns in photonic-crystal lasers by evaluating the omnidirectional band structure both experimentally and theoretically. We found that a new, weak dual-streak pattern is occasionally generated around the main lobe of the output beam because of scattering of the lasing beam in the non-lasing bands despite a wavenumber mismatch. This result indicates that we can design the high-quality devices without such a noise pattern. In addition, this evaluation method is expected to be useful for developing various high-functionality PC lasers. PMID:23037297

  14. Surface structure determines dynamic wetting

    PubMed Central

    Wang, Jiayu; Do-Quang, Minh; Cannon, James J.; Yue, Feng; Suzuki, Yuji; Amberg, Gustav; Shiomi, Junichiro

    2015-01-01

    Liquid wetting of a surface is omnipresent in nature and the advance of micro-fabrication and assembly techniques in recent years offers increasing ability to control this phenomenon. Here, we identify how surface roughness influences the initial dynamic spreading of a partially wetting droplet by studying the spreading on a solid substrate patterned with microstructures just a few micrometers in size. We reveal that the roughness influence can be quantified in terms of a line friction coefficient for the energy dissipation rate at the contact line, and that this can be described in a simple formula in terms of the geometrical parameters of the roughness and the line-friction coefficient of the planar surface. We further identify a criterion to predict if the spreading will be controlled by this surface roughness or by liquid inertia. Our results point to the possibility of selectively controlling the wetting behavior by engineering the surface structure. PMID:25683872

  15. Deriving surface albedo measurements from narrow band satellite data

    NASA Technical Reports Server (NTRS)

    Brest, Christopher L.; Goward, Samuel N.

    1987-01-01

    A target calibration procedure for obtaining surface albedo from satellite data is presented. The methodology addresses two key issues, the calibration of remotely-sensed, discrete wavelength, digital data and the derivation of an albedo measurement (defined over the solar short wave spectrum) from spectrally limited observations. Twenty-seven Landsat observations, calibrated with urban targets (building roof-tops and parking lots), are used to derive spatial and seasonal patterns of surface reflectance and albedo for four land cover types: city, suburb, farm and forest.

  16. Band bending at ferroelectric surfaces and interfaces investigated by x-ray photoelectron spectroscopy

    SciTech Connect

    Apostol, Nicoleta Georgiana

    2014-11-24

    This work reports on the use of X-ray photoelectron spectroscopy to quantify band bending at ferroelectric free surfaces and at their interfaces with metals. Surfaces exhibiting out-of-plane ferroelectric polarization are characterized by a band bending, due to the formation of a dipole layer at the surface, composed by the uncompensated polarization charges (due to ionic displacement) and to the depolarization charge sheet of opposite sign, composed by mobile charge carriers, which migrate near surface, owing to the depolarization electric field. To this surface band bending due to out-of-plane polarization states, metal-semiconductor Schottky barriers must be considered additionally when ferroelectrics are covered by metal layers. It is found that the net band bending is not always an algebraic sum of the two effects discussed above, since sometimes the metal is able to provide additional charge carriers, which are able to fully compensate the surface charge of the ferroelectric, up to the vanishing of the ferroelectric band bending. The two cases which will be discussed in more detail are Au and Cu deposited by molecular beam epitaxy on PbZr{sub 0.2}Ti{sub 0.8}O{sub 3}(001) single crystal thin layers, prepared by pulsed laser deposition. Gold forms unconnected nanoparticles, and their effect on the band bending is the apparition of a Schottky band bending additional to the band bending due to the out-of-plane polarization. Copper, starting with a given thickness, forms continuous metal layers connected to the ground of the system, and provide electrons in sufficient quantity to compensate the band bending due to the out-of-plane polarization.

  17. Structured surfaces on metal optics

    NASA Astrophysics Data System (ADS)

    Steinkopf, Ralf; Hartung, Johannes; Kinast, Jan; Gebhardt, Andreas; Risse, Stefan; Eberhardt, Ramona

    2015-09-01

    Diamond machining of metal optics is a flexible way to manufacture structured elements on different surface geometries. Especially curved substrates such as spheres, aspheres, or freeforms in combination with structured elements enable innovative products like headlights of automobiles or spectrometers in life science or space applications. Using diamond turning, servo turning, milling, and shaping, different technologies for arbitrary geometries are available. The addressed wavelengths are typically in the near- infrared (NIR) and infrared (IR) spectral range. Applying additional finishing processes, diamond machining is also used for optics applicable down to the EUV spectral range. This wide range of applications is represented in the used materials, too. However, one important material group for diamond machining is metal substrates. For diamond machining of structured surfaces, it is important to consider the microstructure of the utilized materials thoroughly. Especially amorphous materials as nickel-phosphorus alloys or fine-grained copper allow the fine structuring of refractive and diffractive structures. The paper analyzes the influence variables for diamond machining of structured surfaces and shows the use of this research for applications in the spectral range from IR to EUV.

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

    NASA Astrophysics Data System (ADS)

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

    2013-02-01

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

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

    DOEpatents

    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.

  20. Calculating the Complex Photonic Band Structure by the Finite-Difference Time-Domain Based Method

    NASA Astrophysics Data System (ADS)

    Ohtera, Yasuo

    2008-06-01

    A method to calculate the dispersion relation of light in dielectric periodic structures is proposed. The method utilizes the conventional finite-difference time-domain (FDTD) method based on the Yee's algorithm. The analytical space containing a periodic structure of a finite number of lattices is terminated by both periodic and absorbing boundaries. Complex Bloch wavenumbers of multiple electromagnetic modes that coexist in the structure are extracted from the field pattern created as a result of the multiple reflection between the surfaces of the structure. The validity of the method was checked through the photonic band calculation for the analytically soluble periodic structure. The method was found to be able to deal with evanescent modes as well as the propagating modes.

  1. Potassium Postdeposition Treatment-Induced Band Gap Widening at Cu(In,Ga)Se₂ Surfaces--Reason for Performance Leap?

    PubMed

    Handick, Evelyn; Reinhard, Patrick; Alsmeier, Jan-Hendrik; Köhler, Leonard; Pianezzi, Fabian; Krause, Stefan; Gorgoi, Mihaela; Ikenaga, Eiji; Koch, Norbert; Wilks, Regan G; Buecheler, Stephan; Tiwari, Ayodhya N; Bär, Marcus

    2015-12-16

    Direct and inverse photoemission were used to study the impact of alkali fluoride postdeposition treatments on the chemical and electronic surface structure of Cu(In,Ga)Se2 (CIGSe) thin films used for high-efficiency flexible solar cells. We find a large surface band gap (E(g)(Surf), up to 2.52 eV) for a NaF/KF-postdeposition treated (PDT) absorber significantly increases compared to the CIGSe bulk band gap and to the Eg(Surf) of 1.61 eV found for an absorber treated with NaF only. Both the valence band maximum (VBM) and the conduction band minimum shift away from the Fermi level. Depth-dependent photoemission measurements reveal that the VBM decreases with increasing surface sensitivity for both samples; this effect is more pronounced for the NaF/KF-PDT CIGSe sample. The observed electronic structure changes can be linked to the recent breakthroughs in CIGSe device efficiencies. PMID:26633568

  2. Band-structure analysis from photoreflectance spectroscopy in (Ga,Mn)As

    SciTech Connect

    Yastrubchak, Oksana; Gluba, Lukasz; Zuk, Jerzy; Wosinski, Tadeusz; Andrearczyk, Tomasz; Domagala, Jaroslaw Z.; Sadowski, Janusz

    2013-12-04

    Modulation photoreflectance spectroscopy has been applied to study the band-structure evolution in (Ga,Mn)As epitaxial layers with increasing Mn content. Structural and magnetic properties of the layers were characterized with high-resolution X-ray diffractometry and SQUID magnetometery, respectively. The revealed results of decrease in the band-gap-transition energy in the (Ga,Mn)As layers with increasing Mn content are interpreted in terms of a disordered valence band, extended within the band gap, formed, in highly Mn-doped (Ga,Mn)As, as a result of merging the Mn-related impurity band with the host GaAs valence band.

  3. Band structure of ABC-trilayer graphene superlattice

    SciTech Connect

    Uddin, Salah Chan, K. S.

    2014-11-28

    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{sub y} direction for k{sub 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.

  4. Fragile surface zero-energy flat bands in three-dimensional chiral superconductors

    NASA Astrophysics Data System (ADS)

    Kobayashi, Shingo; Tanaka, Yukio; Sato, Masatoshi

    2015-12-01

    We study surface zero-energy flat bands in three-dimensional chiral superconductors with pz(px+i py) ν -wave pairing symmetry (ν is a nonzero integer), based on topological arguments and tunneling conductance. It is shown that the surface flat bands are fragile against (i) the surface misorientation and (ii) the surface Rashba spin-orbit interaction. The fragility of (i) is specific to chiral SCs, whereas that of (ii) happens for general odd-parity SCs. We demonstrate that these flat-band instabilities vanish or suppress a zero-bias conductance peak in a normal/insulator/superconductor junction, which behavior is clearly different from high-Tc cuprates and noncentrosymmetric superconductors. By calculating the angle-resolved conductance, we also discuss a topological surface state associated with the coexistence of line and point nodes.

  5. Band-Gap Design of Quaternary (In,Ga) (As,Sb) Semiconductors via the Inverse-Band-Structure Approach

    SciTech Connect

    Piquini, P.; Graf, P. A.; Zunger. A.

    2008-01-01

    Quaternary systems illustrated by (Ga,In)(As,Sb) manifest a huge configurational space, offering in principle the possibility of designing structures that are lattice matched to a given substrate and have given electronic properties (e.g., band gap) at more than one composition. Such specific configurations were however, hitherto, unidentified. We show here that using a genetic-algorithm search with a pseudopotential Inverse-band-structure (IBS) approach it is possible to identify those configurations that are naturally lattice matching (to GaSb) and have a specific band gap (310 meV) at more than one composition. This is done by deviating from randomness, allowing the IBS to find a partial atomic ordering. This illustrates multitarget design of the electronic structure of multinary systems.

  6. Flexible metamaterial narrow-band-pass filter based on magnetic resonance coupling between ultra-thin bilayer frequency selective surfaces

    NASA Astrophysics Data System (ADS)

    Bai, Zhengyuan; Zhang, Qing; Ju, Yongfeng; Tao, Guiju; Jiang, Xiongwei; Kang, Ning; Liu, Chengpu; Zhang, Long

    2016-02-01

    A novel flexible metamaterial narrow-band-pass filter is designed and proved to be reliable by both numerical simulations and experimental measurements. The unit cell of the designed structure consists of circle ring resonators on top of a thin dielectric layer backed by a metallic mesh. The investigations on the distribution of the surface current and magnetic field as well as the analysis of the equivalent circuit model reveal that the magnetic resonance response between layers induced by the reverse surface current contributes to the high quality factor band-pass property. Importantly, it is a flexible design with a tunable resonance frequency by just changing the radius of the circle rings and can also be easily extended to have the multi-band-pass property. Moreover, this simplified structure with low duty cycle and ultra-thin thickness is also a symmetric design which is insensitive to the polarization and incident angles. Therefore, such a metamaterial narrow-band-pass filter is of great importance in the practical applications such as filtering and radar stealth, and especially for the conformal structure applications in the infrared and optical window area.

  7. Magnonic and plasmonic band gaps in films with periodically modified surfaces

    NASA Astrophysics Data System (ADS)

    Jarufe, Claudio; Arias, R. E.

    2012-05-01

    It is of current interest to understand the electromagnetic response of different nanostructures. In this study, we focus on the role of geometry, in the so-called static limit. In this limit, the incoming wavelength is much greater than the relevant scales of the object, retardation can be neglected, there are no inductive effects, and the electric and magnetic problems decouple, thus one studies plasmonic and magnonic responses separately. In particular, it is of interest to study enhancements of the fields associated with geometric features of the samples as well as the development of artificial structures that may show desired behaviors. With this in mind, in this work, we study a structure with a periodic geometric perturbation that shows a behavior of interest: plasmons and magnons propagate in it with band gaps associated with the geometry, i.e., they may be controlled by design. The structures in question are dielectric or ferromagnetic thin films whose surfaces are modulated periodically in one direction: we study modes of infinite wavelength along the nonmodulated direction. The results are analogous to those found for electronic wave functions in periodic potentials, i.e., one can introduce a reduced Brillouin zone scheme to describe the modes (its width is 2π/A, with A the period of the geometric perturbations), which are of the Bloch type. Different bands are identified, and they are calculated numerically. For small geometric perturbations, we develop a perturbation theory that agrees well with our numerical results, and we do obtain analytic expressions for the band gaps at the edges of the Brillouin zone (proportional to the amplitudes of the geometric perturbation of the surfaces and very simple in the case of plasmons). The underlying theory used to calculate the modes was previously developed and relies on solving integral equations along the edges of the sample for the electrostatic and magnetostatic potentials, respectively. Interesting features of this method are that it is practical and computationally nonintensive, film perturbations of arbitrary shapes and amplitudes can be addressed, and it merges in one framework the study of magnons and plasmons.

  8. SIMULTANEOUS MULTI-BAND DETECTION OF LOW SURFACE BRIGHTNESS GALAXIES WITH MARKOVIAN MODELING

    SciTech Connect

    Vollmer, B.; Bonnarel, F.; Louys, M.; Perret, B.; Petremand, M.; Lavigne, F.; Collet, Ch.; Van Driel, W.; Sabatini, S.

    2013-02-01

    We present to the astronomical community an algorithm for the detection of low surface brightness (LSB) galaxies in images, called MARSIAA (MARkovian Software for Image Analysis in Astronomy), which is based on multi-scale Markovian modeling. MARSIAA can be applied simultaneously to different bands. It segments an image into a user-defined number of classes, according to their surface brightness and surroundings-typically, one or two classes contain the LSB structures. We have developed an algorithm, called DetectLSB, which allows the efficient identification of LSB galaxies from among the candidate sources selected by MARSIAA. The application of the method to two and three bands simultaneously was tested on simulated images. Based on our tests, we are confident that we can detect LSB galaxies down to a central surface brightness level of only 1.5 times the standard deviation from the mean pixel value in the image background. To assess the robustness of our method, the method was applied to a set of 18 B- and I-band images (covering 1.3 deg{sup 2} in total) of the Virgo Cluster to which Sabatini et al. previously applied a matched-filter dwarf LSB galaxy search algorithm. We have detected all 20 objects from the Sabatini et al. catalog which we could classify by eye as bona fide LSB galaxies. Our method has also detected four additional Virgo Cluster LSB galaxy candidates undetected by Sabatini et al. To further assess the completeness of the results of our method, both MARSIAA, SExtractor, and DetectLSB were applied to search for (1) mock Virgo LSB galaxies inserted into a set of deep Next Generation Virgo Survey (NGVS) gri-band subimages and (2) Virgo LSB galaxies identified by eye in a full set of NGVS square degree gri images. MARSIAA/DetectLSB recovered {approx}20% more mock LSB galaxies and {approx}40% more LSB galaxies identified by eye than SExtractor/DetectLSB. With a 90% fraction of false positives from an entirely unsupervised pipeline, a completeness of 90% is reached for sources with r{sub e} > 3'' at a mean surface brightness level of {mu}{sub g} = 27.7 mag arcsec{sup -2} and a central surface brightness of {mu}{sup 0}{sub g} = 26.7 mag arcsec{sup -2}. About 10% of the false positives are artifacts, the rest being background galaxies. We have found our proposed Markovian LSB galaxy detection method to be complementary to the application of matched filters and an optimized use of SExtractor, and to have the following advantages: it is scale free, can be applied simultaneously to several bands, and is well adapted for crowded regions on the sky.

  9. Micro-metric electronic patterning of a topological band structure using a photon beam

    NASA Astrophysics Data System (ADS)

    Frantzeskakis, E.; de Jong, N.; Zwartsenberg, B.; Huang, Y. K.; Bay, T. V.; Pronk, P.; van Heumen, E.; Wu, D.; Pan, Y.; Radovic, M.; Plumb, N. C.; Xu, N.; Shi, M.; de Visser, A.; Golden, M. S.

    2015-11-01

    In an ideal 3D topological insulator (TI), the bulk is insulating and the surface conducting due to the existence of metallic states that are localized on the surface; these are the topological surface states. Quaternary Bi-based compounds of Bi2-xSbxTe3-ySey with finely-tuned bulk stoichiometries are good candidates for realizing ideal 3D TI behavior due to their bulk insulating character. However, despite its insulating bulk in transport experiments, the surface region of Bi2-xSbxTe3-ySey crystals cleaved in ultrahigh vacuum also exhibits occupied states originating from the bulk conduction band. This is due to adsorbate-induced downward band-bending, a phenomenon known from other Bi-based 3D TIs. Here we show, using angle-resolved photoemission, how an EUV light beam of moderate flux can be used to exclude these topologically trivial states from the Fermi level of Bi1.46Sb0.54Te1.7Se1.3 single crystals, thereby re-establishing the purely topological character of the low lying electronic states of the system. We furthermore prove that this process is highly local in nature in this bulk-insulating TI, and are thus able to imprint structures in the spatial energy landscape at the surface. We illustrate this by ‘writing’ micron-sized letters in the Dirac point energy of the system.

  10. Three-dimensional dynamic thermal imaging of structural flaws by dual-band infrared computed tomography

    SciTech Connect

    Del Grande, N.K.; Dolan, K.W.; Durbin, P.F.; Gorvad, M.R.; Kornblum, B.T.; Perkins, D.E.; Schneberk, D.J.; Shapiro, A.B.

    1993-04-01

    We discuss three-dimensional (3D) dynamic thermal imaging of structure flaws using dual-band infrared (DBIR) computed tomography. Conventional thermography provides single-band infrared images which are difficult to interpret. Standard procedures yield imprecise (or qualitative) information about subsurface flaw sites which are typically masked by surface clutter. We use a DBIR imaging unique pioneered at LLNL to capture the time history of surface temperature difference for flash-heated targets. We relate these patterns to the location, size, shape and depth of subsurface flaws. We have demonstrated temperature accuracies of 0.2{degree}C, timing synchronizations of 3 ms (after onset of heat flash) and intervals of 42 ms, between images, during an 8 s cooling (and hearing) interval characterizing the front (and back) surface temperature-time history of an epoxy-glue disbond site in a flash-heated aluminum lap joint. This type of disbond played a significant role in causing damage to the Aloha Aircraft fuselage on the aged Boeing 737 jetliner. By ratioing DBIR images (near 5 and 10 micron), we located surface temperature patterns (generated by weak heat flow anomalies at subsurface flaw sites) and removed the emissivity mask (from surface roughness variations). We compared measurements with calculations from the three-dimensional, finite element computer code: TOPAZ3D. We combined infrared, ultrasound and x-ray imaging methods to characterize the lap joint disbond site spatial, bond quality, and material differences.

  11. Micro-metric electronic patterning of a topological band structure using a photon beam

    PubMed Central

    Frantzeskakis, E.; De Jong, N.; Zwartsenberg, B.; Huang, Y. K.; Bay, T. V.; Pronk, P.; Van Heumen, E.; Wu, D.; Pan, Y.; Radovic, M.; Plumb, N. C.; Xu, N.; Shi, M.; De Visser, A.; Golden, M. S.

    2015-01-01

    In an ideal 3D topological insulator (TI), the bulk is insulating and the surface conducting due to the existence of metallic states that are localized on the surface; these are the topological surface states. Quaternary Bi-based compounds of Bi2−xSbxTe3−ySey with finely-tuned bulk stoichiometries are good candidates for realizing ideal 3D TI behavior due to their bulk insulating character. However, despite its insulating bulk in transport experiments, the surface region of Bi2−xSbxTe3−ySey crystals cleaved in ultrahigh vacuum also exhibits occupied states originating from the bulk conduction band. This is due to adsorbate-induced downward band-bending, a phenomenon known from other Bi-based 3D TIs. Here we show, using angle-resolved photoemission, how an EUV light beam of moderate flux can be used to exclude these topologically trivial states from the Fermi level of Bi1.46Sb0.54Te1.7Se1.3 single crystals, thereby re-establishing the purely topological character of the low lying electronic states of the system. We furthermore prove that this process is highly local in nature in this bulk-insulating TI, and are thus able to imprint structures in the spatial energy landscape at the surface. We illustrate this by ‘writing’ micron-sized letters in the Dirac point energy of the system. PMID:26543011

  12. Micro-metric electronic patterning of a topological band structure using a photon beam.

    PubMed

    Frantzeskakis, E; De Jong, N; Zwartsenberg, B; Huang, Y K; Bay, T V; Pronk, P; Van Heumen, E; Wu, D; Pan, Y; Radovic, M; Plumb, N C; Xu, N; Shi, M; De Visser, A; Golden, M S

    2015-01-01

    In an ideal 3D topological insulator (TI), the bulk is insulating and the surface conducting due to the existence of metallic states that are localized on the surface; these are the topological surface states. Quaternary Bi-based compounds of Bi(2-x)Sb(x)Te(3-y)Se(y) with finely-tuned bulk stoichiometries are good candidates for realizing ideal 3D TI behavior due to their bulk insulating character. However, despite its insulating bulk in transport experiments, the surface region of Bi(2-x)Sb(x)Te(3-y)Se(y) crystals cleaved in ultrahigh vacuum also exhibits occupied states originating from the bulk conduction band. This is due to adsorbate-induced downward band-bending, a phenomenon known from other Bi-based 3D TIs. Here we show, using angle-resolved photoemission, how an EUV light beam of moderate flux can be used to exclude these topologically trivial states from the Fermi level of Bi1.46Sb0.54Te1.7Se1.3 single crystals, thereby re-establishing the purely topological character of the low lying electronic states of the system. We furthermore prove that this process is highly local in nature in this bulk-insulating TI, and are thus able to imprint structures in the spatial energy landscape at the surface. We illustrate this by 'writing' micron-sized letters in the Dirac point energy of the system. PMID:26543011

  13. Vector k small middle dotp approach for photonic band structures

    PubMed

    Sipe

    2000-10-01

    We point out that k small middle dotp treatments of photonic band gap materials based on the usual master equation must employ not only the physical photonic band solutions of that equation, but also unphysical solutions, in order to form a complete set. Nonetheless, it is possible to construct correct k small middle dotp expressions for the group velocity and its dispersion in terms of matrix elements involving only the photonic band solutions. PMID:11089125

  14. Influence of banded structure on the mechanical properties of a high-strength maraging steel

    SciTech Connect

    Ahmed, M.; Salam, I.; Hashmi, F.H.; Khan, A.Q.

    1997-04-01

    Chemical inhomogeneity results in the formation of banded structure in high-strength maraging steels. Segregation of titanium and molybdenum was found to be the primary cause of banded structure formation. When the concentrations of these elements increased beyond certain critical levels, bands comprising different grain sizes formed. The inclusions existed preferentially along the interface of the bands. A high-temperature homogenization treatment substantially reduced or eliminated the banded structure. The large grain size resulting from the homogenization treatment was subsequently reduced by a grain refinement treatment. The mechanical properties of the steel substantially improved following homogenization and grain refinement.

  15. Tuning surface reactivity by finite size effects: role of orbital symmetry in the d - band model

    NASA Astrophysics Data System (ADS)

    Snijders, Paul; Yin, Xiangshi; Cooper, Valentino; Weitering, Hanno

    Catalytic activity depends sensitively on the strength of the interactions between reactant molecules and catalyst surface: too weak and the catalyst cannot capture enough molecules to react; too strong and the reaction products do not desorb, blocking further reactions. The ability to control the binding strength of molecules to metal surfaces is thus fundamental to the design of efficient and selective catalysts. Catalyst design often relies on increasing the interaction strength on relatively non-reactive materials by introducing active sites. Here, we present a complementary approach: we exploit finite size effects in the electronic structure of ultrathin Pd(111) films grown on Ru(0001) to tune their reactivity by changing the film thickness one atom layer at a time. While bulk Pd(111) is reactive toward oxygen, we find that Pd films thinner than 6 atom layers are surprisingly inert to oxidation. This observation can be explained with the d-band model only when it is applied to the orbitals directly involved in the bonding. The insight into orbital specific contributions to surface reactivity could be useful in the design of catalysts. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.

  16. Estimation of Soil Moisture for Vegetated Surfaces Using Multi-Temporal L-Band SAR Measurements

    NASA Technical Reports Server (NTRS)

    Shi, Jian-Cheng; Sun, G.; Hsu, A.; Wang, J.; ONeill, P.; Ranson, J.; Engman, E. T.

    1997-01-01

    This paper demonstrates the technique to estimate ground surface and vegetation scattering components, based on the backscattering model and the radar decomposition theory, under configuration of multi-temporal L-band polarimetric SAR measurement. This technique can be used to estimate soil moisture of vegetated surface.

  17. Improvement of Bare Surface Soil Moisture Estimation with L-Band Dual-Polarization Radar

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This study demonstrates a new algorithm development for estimating bare surface soil moisture using dual-polarization L-band backscattering measurements. Through our analyses on the numerically simulated surface backscattering database by Advanced Integral Equation Model (AIEM) with a wide range of ...

  18. Cotton response to poultry litter applied by subsurface banding relative to surface broadcasting

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Dry poultry litter is typically land-applied by surface broadcasting, a practice that exposes certain litter nutrients to volatilization loss. Applying litter with a new, experimental implement that places the litter in narrow bands below the soil surface may reduce or eliminate such losses but has...

  19. Complex band structure of topologically protected edge states

    NASA Astrophysics Data System (ADS)

    Dang, Xiaoqian; Burton, J. D.; Kalitsov, Alan; Velev, Julian P.; Tsymbal, Evgeny Y.

    2014-10-01

    One of the great successes of modern condensed matter physics is the discovery of topological insulators (TIs). A thorough investigation of their properties could bring such materials from fundamental research to potential applications. Here, we report on theoretical investigations of the complex band structure (CBS) of two-dimensional (2D) TIs. We utilize the tight-binding form of the Bernevig, Hughes, and Zhang model as a prototype for a generic 2D TI. Based on this model, we outline the conditions that the CBS must satisfy in order to guarantee the presence of topologically protected edge states. Furthermore, we use the Green's function technique to show how these edge states are localized, highlighting the fact that the decay of the edge-state wave functions into the bulk of a TI is not necessarily monotonic and, in fact, can exhibit an oscillatory behavior that is consistent with the predicted CBS of the bulk TI. These results may have implications for electronic and spin transport across a TI when it is used as a tunnel barrier.

  20. Crystal Structures and Band Structures of Acene Chalcogenides: Their Application for OFET.

    NASA Astrophysics Data System (ADS)

    Ugawa, A.

    2005-03-01

    We have systematically studied acene chalcogenides as active channel materials for Organic Field Effect Transistor (OFET). The molecules have a common structural feature which is of great advantage for carrier channel: chalcogen atoms are located at outside of molecule so that larger orbitals of chalcogen atoms would intensify intermolecular interactions not only for the molecular stacking direction but also for the inter-stacking directions. We then expect that the conduction channels would become more isotropic and the effective mass of the carriers would become lighter compared to the case of aromatic hydrocarbons. The materials we have surveyed are as follows: Hexathiopentacene (HTP), Tetrathiotetracene (TTT), Hexathioanthracene (HTA), Tetrathioanthracene (TTA), Benzo[1,2-c;3,4-c';5,6-c'']tris[1,2]dithiole-1,4,7-trithione (abbreviated as C9S9, which is its chemical formula), and some selenium analogues. The first-principle band structure calculations based on the crystal structures determined by x-ray analysis reveal that the materials have an anisotropic 2-D HOMO band with an effective mass of 1.1me for TSeA, 1.3me for HTA, 1.4me for TTT, respectively. HTP is proved to have a 1-D HOMO band with m*=2.5me in spite of 2-D structural feature. It is interesting that C9S9 has an isotropic 3-D HOMO band with m*=0.68me, properties which are suitable for OFET channel.

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

    NASA Astrophysics Data System (ADS)

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

    2013-02-01

    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.

  2. Electronic Band Structure of Transparent Conductor: Nb-Doped Anatase TiO2

    NASA Astrophysics Data System (ADS)

    Hitosugi, Taro; Kamisaka, Hideyuki; Yamashita, Koichi; Nogawa, Hiroyuki; Furubayashi, Yutaka; Nakao, Shoichiro; Yamada, Naoomi; Chikamatsu, Akira; Kumigashira, Hiroshi; Oshima, Masaharu; Hirose, Yasushi; Shimada, Toshihiro; Hasegawa, Tetsuya

    2008-11-01

    We have investigated electronic band structure of a transparent conducting oxide, Nb-doped anatase TiO2 (TNO), by means of first-principles band calculations and photoemission measurements. The band calculations revealed that Nb 4d orbitals are strongly hybridized with Ti 3d ones to form a d-nature conduction band, without impurity states in the in-gap region, resulting in high carrier density exceeding 1021 cm-3 and excellent optical transparency in the visible region. Furthermore, we confirmed that the results of valence band and core-level photoemission measurements are consistent with prediction by the present band calculations.

  3. Surface-electronic structure of. alpha. -like Ce compounds

    SciTech Connect

    Laubschat, C.; Weschke, E.; Holtz, C.; Domke, M.; Strebel, O.; Kaindl, G. )

    1990-09-24

    Photoemission studies with varying degrees of surface sensitivity are reported for the Ce 3{ital d} core-level and Ce 4{ital f} valence-band regions of the {alpha}-like Ce compounds CeIr{sub 2}, CePd{sub 3}, and CeRh{sub 3}. In all cases studied, strong changes of the 4{ital f} electronic structure at the surface towards a more localized {gamma}-like behavior are observed, requiring a reanalysis of previously reported photoemission spectra of {alpha}-like Ce compounds. Implications for an improved understanding of the surface-catalytic properties of Ce systems, as well as of the surface-electronic structure of narrow-band materials, are pointed out.

  4. Band structure parameters of metallic diamond from angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Guyot, H.; Achatz, P.; Nicolaou, A.; Le Fèvre, P.; Bertran, F.; Taleb-Ibrahimi, A.; Bustarret, E.

    2015-07-01

    The electronic band structure of heavily boron doped diamond was investigated by angle-resolved photoemission spectroscopy on (100)-oriented epilayers. A unique set of Luttinger parameters was deduced from a comparison of the experimental band structure of metallic diamond along the Δ (Γ X ) and Σ (Γ K ) high-symmetry directions of the reciprocal space, with theoretical band structure calculations performed both within the local density approximation and by an analytical k . p approach. In this way, we were able to describe the experimental band structure over a large three-dimensional region of the reciprocal space and to estimate hole effective masses in agreement with previous theoretical and experimental papers.

  5. Molecular Electronics with Peptide Nanotubes: Calculation of Conventional and Complex Band Structure

    NASA Astrophysics Data System (ADS)

    Takahashi, Ribeka

    2005-03-01

    We have studied the electronic structure of three peptide nanotubes which have been proposed as a potential nanowire. We choose nanotubes which have different sequences of amino-acid residue: (L-Gln, D-Ala)4, (L-Gln, D-Leu)4, and (L-Gln, D-Phe)4. We calculated the conventional band structure and the complex band structure of the peptide nanotubes. Our study of the conventional band structure shows that the peptide nanotubes generally have large band gaps (4 eV); however, the band gap decreases due to the presence of aromatic rings in the side chain of peptide nanotubes. Our study of the complex band structure predicts that the molecular tunneling conductivity of peptide nanotubes is small.

  6. Tunable bandwidth of pass-band metamaterial filter based on coupling of localized surface plasmon resonance

    NASA Astrophysics Data System (ADS)

    Han, Bing; Dong, Beibei; Nan, Jingyu; Zhong, Min

    2015-12-01

    A broad pass-band compound structure metamaterial is designed which consists of periodic two metallic particles and hole arrays. The operating bandwidth of the designed structure reaches to ?f ? 33.8 THz. Physical mechanisms are analyzed and validated based on calculated electric field distribution that the interaction and coupled of LSP modes between two metallic particles leads to the bandwidth increased and resonance frequency blue-shifted, while the interaction and coupled between metallic particle and metallic arrays results in the reduced of the pass-band. The pass-band can be expanded through reducing the permittivity of dielectric layer or reducing the width of the metallic particle (a). The effect of the angles of incidence on the pass-band is also analyzed for normal, 15, 30 and 45.

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

    NASA Astrophysics Data System (ADS)

    Hund, Zachary M.; Nihill, Kevin J.; Campi, Davide; Wong, Keith T.; Lewis, Nathan S.; Bernasconi, M.; Benedek, G.; Sibener, S. J.

    2015-09-01

    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 CD3-Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH3-Ge(111) and CH3-Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers.

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

    PubMed

    Hund, Zachary M; Nihill, Kevin J; Campi, Davide; Wong, Keith T; Lewis, Nathan S; Bernasconi, M; Benedek, G; Sibener, S J

    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 CD3-Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH3-Ge(111) and CH3-Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers. PMID:26429030

  9. Dislocation structures in the bands of localized cyclic plastic strain in austenitic 316L and austenitic-ferritic duplex stainless steels

    SciTech Connect

    Kruml, T.; Polak, J.; Obrtlik, K.; Degallaix, S.

    1997-12-01

    Dislocation structures in bands corresponding to cyclic strain localization have been studied in two types of stainless steels, single phase austenitic 316L steel and two-phase austenitic-ferritic duplex steel. Dislocation structures are documented in thin foils oriented approximately perpendicular to the active slip plane of individual grains and parallel to the primary Burgers vector. Persistent slip bands, with the structure more or less reminiscent of the well-known ladder structure, were found in austenitic grains of both steels. These bands can be correlated with the distinct surface relief consisting of extrusions, intrusions and shallow surface cracks in austenitic grains were found. The distribution of the wall and labyrinth structure embedded in the matrix structure in ferritic grains, which was proposed to be responsible for the localization of the cyclic strain, however, does not correspond to the distribution of the distinct surface slip lines on the surface.

  10. Metal-to-Insulator Transition in Au Chains on Si(111)-5×2-Au by Band Filling: Infrared Plasmonic Signal and Ab Initio Band Structure Calculation.

    PubMed

    Hötzel, Fabian; Seino, Kaori; Chandola, Sandhya; Speiser, Eugen; Esser, Norbert; Bechstedt, Friedhelm; Pucci, Annemarie

    2015-09-17

    The Si(111)-5×2-Au surface is increasingly of interest because it is one of the rare atomic chain systems with quasi-one-dimensional properties. For the deposition of 0.7 monolayers of Au, these chains are metallic. Upon the evaporation of an additional submonolayer amount of gold, the surface becomes insulating but keeps the 5×2 symmetry. This metal-to-insulator transition was in situ monitored based on the infrared plasmonic signal change with coverage. The phase transition is theoretically explained by total-energy and band-structure calculations. Accordingly, it can be understood in terms of the occupation of the originally half-filled one-dimensional band at the Fermi level. By annealing the system, the additional gold is removed from the surface and the plasmonic signal is recovered, which underlines the stability of the metallic structure. So, recent results on the infrared plasmonic signals of the Si(111)-5 × 2-Au surface are supported. The understanding of potential one-dimensional electrical interconnects is improved. PMID:26722731

  11. First principle study of band structure of SrMO3 perovskites

    NASA Astrophysics Data System (ADS)

    Daga, Avinash; Sharma, Smita

    2016-05-01

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

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

    NASA Astrophysics Data System (ADS)

    Zhang, Meng; Gu, Qiang

    2011-11-01

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

  13. Measuring surface deformation of Beijing and surrounding area using X-band InSAR data

    NASA Astrophysics Data System (ADS)

    Lu, Q.; Sun, J.; Shen, Z.

    2014-12-01

    The InSAR technique has been widely used in surface deformation monitoring in recent years. Although the X-band InSAR data have relatively lower coherence in vegetation covering areas than the C-band and L-band data, they have the potential to capture finer deformation signals in cities with less influence from ionosphere disturbance. In this study, we utilize X-band TarraSAR data to investigate the accumulated surface deformation from 2008 to 2012 in Beijing and the surrounding regions including Cangzhou and part of Tianjin. Our preliminary result shows that in our research area, the nontectonic deformation signals, such as deformation caused by groundwater withdrawal and viaduct and subway constructions are considerably larger than that of tectonic deformation caused by active faults located in the Zhangjiakou-Bohai seismic zone. The main deformation signals discovered so far are from surface subsidence distributed in the east and north downtown area of Beijing, conforming our previous discoveries using the L-band SAR data. Our result also shows the phenomenon that spatial extents of some subsidence areas are aligned with local faults, this indicating that the groundwater flow may be manifested by physical barriers of faults. Our result will help assessing hazard potentials associated with land subsidence in Beijing and surrounding areas.

  14. Optical Transitions and Electronic Band structure of Cuprous Oxide Thin Films

    NASA Astrophysics Data System (ADS)

    Lee, Hosun; Park, Jun-Woo; Jang, Hyungkeun; Kim, Sung; Choi, Suk-Ho; Kang, Joongoo; Wei, Su-Huai

    2012-02-01

    Cu2O thin films were grown on Si and SiO2/Si substrates via RF sputtering deposition at various temperatures. The Cu2O thin films had a smooth surface when grown at RT, but developed grain boundaries when grown at 300 ^oC. We observed the high-energy photoluminescence (PL) peaks at 3.18 eV (Ep) and 3.27 eV (Eq). The dielectric functions of the Cu2O thin films were measured using spectroscopic ellipsometry. To estimate the critical point (CP) energies, we applied the standard critical point (SCP) model to the second derivative spectra of the dielectric functions (d^2ɛ/dE^2). We also calculated the electronic band structure of bulk Cu2O by using the screened HSE hybrid density functional. Based on the band structure, the CP was estimated as 2.05 eV (E0A(E0B)), 2.77 eV (E0C(E0D)) at the γ point, 4.17 eV (E1A) and 6.10 eV (E2) at the X point, 4.94 eV (E1B) at the R point. The experimental CP energies are consistent with the HSE results, but are systematically smaller than the calculated values by 0.3-0.8 eV due to large electron-hole interaction in CuO2 that was not included in the simulations. The high-energy peaks in the PL spectra at 3.18 eV (Ep) and 3.27 eV (Eq) were attributed to the quasi-direct transitions between the γ valence band and the M and X conduction bands, respectively. The physical origin of the quasi-direct transitions was attributed to the grain boundaries.

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

    NASA Astrophysics Data System (ADS)

    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.

  16. Study of Band Structure of Two-Dimensional Anisotropic Honeycomb Photonic Crystals

    NASA Astrophysics Data System (ADS)

    Sedghi, A.; Soufiani, A. Rounaghi

    2013-10-01

    Using the plane wave expansion method, we have calculated, for both E and H polarizations, the band structure of 2D anisotropic photonic crystals with honeycomb lattice composed of anisotropic tellurium (Te) rods embedded in air background. The two rods in the unit cell are chosen square and circular in shape. Here, from a practical point of view, in order to obtain maximum band gaps, we have also studied the band structure as a function of size of rods.

  17. Spin polarized surface resonance bands in single layer Bi on Ge(1 1 1).

    PubMed

    Bottegoni, F; Calloni, A; Bussetti, G; Camera, A; Zucchetti, C; Finazzi, M; Duò, L; Ciccacci, F

    2016-05-18

    The spin features of surface resonance bands in single layer Bi on Ge(1 1 1) are studied by means of spin- and angle-resolved photoemission spectroscopy and inverse photoemission spectroscopy. We characterize the occupied and empty surface states of Ge(1 1 1) and show that the deposition of one monolayer of Bi on Ge(1 1 1) leads to the appearance of spin-polarized surface resonance bands. In particular, the C 3v symmetry, which Bi adatoms adopt on Ge(1 1 1), allows for the presence of Rashba-like occupied and unoccupied electronic states around the [Formula: see text] point of the Bi surface Brillouin zone with a giant spin-orbit constant [Formula: see text] eV · Å. PMID:27073190

  18. Spin polarized surface resonance bands in single layer Bi on Ge(1 1 1)

    NASA Astrophysics Data System (ADS)

    Bottegoni, F.; Calloni, A.; Bussetti, G.; Camera, A.; Zucchetti, C.; Finazzi, M.; Duò, L.; Ciccacci, F.

    2016-05-01

    The spin features of surface resonance bands in single layer Bi on Ge(1 1 1) are studied by means of spin- and angle-resolved photoemission spectroscopy and inverse photoemission spectroscopy. We characterize the occupied and empty surface states of Ge(1 1 1) and show that the deposition of one monolayer of Bi on Ge(1 1 1) leads to the appearance of spin-polarized surface resonance bands. In particular, the C 3v symmetry, which Bi adatoms adopt on Ge(1 1 1), allows for the presence of Rashba-like occupied and unoccupied electronic states around the \\overline{\\text{M}} point of the Bi surface Brillouin zone with a giant spin–orbit constant |{α\\text{R}}| =≤ft(1.4+/- 0.1\\right) eV · Å.

  19. Microbial communities in the surface mucopolysaccharide layer and the black band microbial mat of black band-diseased Siderastrea siderea.

    PubMed

    Sekar, Raju; Mills, Deetta K; Remily, Elizabeth R; Voss, Joshua D; Richardson, Laurie L

    2006-09-01

    Microbial community profiles and species composition associated with two black band-diseased colonies of the coral Siderastrea siderea were studied by 16S rRNA-targeted gene cloning, sequencing, and amplicon-length heterogeneity PCR (LH-PCR). Bacterial communities associated with the surface mucopolysaccharide layer (SML) of apparently healthy tissues of the infected colonies, together with samples of the black band disease (BBD) infections, were analyzed using the same techniques for comparison. Gene sequences, ranging from 424 to 1,537 bp, were retrieved from all positive clones (n = 43 to 48) in each of the four clone libraries generated and used for comparative sequence analysis. In addition to LH-PCR community profiling, all of the clone sequences were aligned with LH-PCR primer sequences, and the theoretical lengths of the amplicons were determined. Results revealed that the community profiles were significantly different between BBD and SML samples. The SML samples were dominated by gamma-proteobacteria (53 to 64%), followed by beta-proteobacteria (18 to 21%) and alpha-proteobacteria (5 to 11%). In contrast, both BBD clone libraries were dominated by alpha-proteobacteria (58 to 87%), followed by verrucomicrobia (2 to 10%) and 0 to 6% each of delta-proteobacteria, bacteroidetes, firmicutes, and cyanobacteria. Alphaproteobacterial sequence types related to the bacteria associated with toxin-producing dinoflagellates were observed in BBD clone libraries but were not found in the SML libraries. Similarly, sequences affiliated with the family Desulfobacteraceae and toxin-producing cyanobacteria, both believed to be involved in BBD pathogenesis, were found only in BBD libraries. These data provide evidence for an association of numerous toxin-producing heterotrophic microorganisms with BBD of corals. PMID:16957217

  20. L-Band Microwave Observations over Land Surface Using a Two-Dimensional Synthetic Aperture Radiometer

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Antenna size is major factor that has limited realization of the potential capabilities of L-band (1.4 GHz) microwave radiometry to estimate surface soil moisture from space. However, emerging interferometric technology, called aperture synthesis, has been developed to address this limitation. The ...

  1. L-Band Microwave Observations over land Surface using a Two-Dimensional Synthetic Aperture Radiometer

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A number of studies have demonstrated the potential capabilities of passive microwave remote sensing at L-band (1.4 GHz) to measure surface soil moisture. Aperture synthesis is a technology for obtaining high spatial resolution at long wavelengths with a practical radiometer antenna. During the So...

  2. L-Band microwave observations over land surface using a two-dimensional synthetic aperture radiometer

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Antenna size is major factor that has limited realization of the potential capabilities of L-band (1.4 GHz) microwave radiometry to estimate surface soil moisture from space. However, emerging interferometric technology, called aperture synthesis, has been developed to address this limitation. The ...

  3. Grass Forage Response to Broadcast or Surface-Banded Liquid Dairy Manure and Nitrogen Fertilizer

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Manure can provide valuable nutrients, especially N, for grass forage, but N availability is limited because of high NH3 volatilization losses from standard surface-broadcast application. Field experiments were conducted at two sites in NW VT to evaluate effects of broadcast or banded liquid dairy m...

  4. The Band Structure of Polymers: Its Calculation and Interpretation. Part 3. Interpretation.

    ERIC Educational Resources Information Center

    Duke, B. J.; O'Leary, Brian

    1988-01-01

    In this article, the third part of a series, the results of ab initio polymer calculations presented in part 2 are discussed. The electronic structure of polymers, symmetry properties of band structure, and generalizations are presented. (CW)

  5. Electronic transitions in GdN band structure

    SciTech Connect

    Vidyasagar, R. Kita, T.; Sakurai, T.; Ohta, H.

    2014-05-28

    Using the near-infrared (NIR) absorbance spectroscopy, electronic transitions and spin polarization of the GdN epitaxial film have been investigated; and the GdN epitaxial film was grown by a reactive rf sputtering technique. The GdN film exhibited three broad bands in the NIR frequency regimes; and those bands are attributable primarily to the minority and majority spin transitions at the X-point and an indirect transition along the Γ-X symmetric direction of GdN Brillouin zone. We experimentally observe a pronounced red-shift of the indirect band gap when cooling down below the Curie temperature which is ascribed to the orbital-dependent coulomb interactions of Gd-5dxy electrons, which tend to push-up the N-2p bands. On the other hand, we have evaluated the spin polarization of 0.17 (±0.005), which indicates that the GdN epitaxial film has almost 100% spin-polarized carriers. Furthermore, the experimental result of GdN electronic transitions are consistent with the previous reports and are thus well-reproduced. The Arrott plots evidenced that the Curie temperature of GdN film is 36 K and the large spin moment is explained by the nitrogen vacancies and the intra-atomic exchange interaction.

  6. Inducing a Lifshitz Transition by Extrinsic Doping of Surface Bands in the Topological Crystalline Insulator Pb1-xSnxSe

    NASA Astrophysics Data System (ADS)

    Pletikosić, I.; Gu, G. D.; Valla, T.

    2014-04-01

    The narrow gap semiconductor Pb1-xSnxSe was investigated for topologically protected surface states in its rocksalt structural phase for x =0.45, 0.23, 0.15, and 0. Angle-resolved photoelectron spectroscopy of intrinsically p-doped samples showed a clear indication of two Dirac cones, eccentric about the time-reversal invariant point X¯ of the surface Brillouin zone for all but the x =0 sample. Adsorption of alkalies gradually filled the surface bands with electrons, driving the x>0 topological crystalline insulator systems through Lifshitz transitions, and from a holelike to electronlike Fermi surface. The electron-doped bands in x>0 samples exhibited the full configuration of the Dirac cones, also confirming electron-hole symmetry of the surface bands.

  7. Inducing a Lifshitz transition by extrinsic doping of surface bands in the topological crystalline insulator Pb1-xSnxSe.

    PubMed

    Pletikosić, I; Gu, G D; Valla, T

    2014-04-11

    The narrow gap semiconductor Pb1-xSnxSe was investigated for topologically protected surface states in its rocksalt structural phase for x=0.45, 0.23, 0.15, and 0. Angle-resolved photoelectron spectroscopy of intrinsically p-doped samples showed a clear indication of two Dirac cones, eccentric about the time-reversal invariant point X¯ of the surface Brillouin zone for all but the x=0 sample. Adsorption of alkalies gradually filled the surface bands with electrons, driving the x>0 topological crystalline insulator systems through Lifshitz transitions, and from a holelike to electronlike Fermi surface. The electron-doped bands in x>0 samples exhibited the full configuration of the Dirac cones, also confirming electron-hole symmetry of the surface bands. PMID:24765995

  8. High-Pressure and Electronic Band Structure Studies on MoBC

    NASA Astrophysics Data System (ADS)

    Falconi, R.; de la Mora, P.; Morales, F.; Escamilla, R.; Camacho, C. O.; Acosta, M.; Escudero, R.

    2015-05-01

    In this work, high-pressure electrical resistivity measurements and electronic structure analysis on the intermetallic MoBC system are presented. Electrical resistivity measurements up to about 5 GPa using a diamond anvil cell on MoBC revealed that decreases in a non-monotonic way. Using Linearized Augmented Plane Wave method based on Density Functional Theory, we investigate the changes in the electronic structure of this compound as a function of pressure. The states at the Fermi level mainly come from the d orbitals of molybdenum atoms. As the pressure increases, the band width is enhanced and the total density of states at the Fermi level decreases. The Fermi surface for this compound possesses a two-dimensional character which prevails under an applied pressure of about 10 GPa. The results are compared with the chemical pressure effects on induced by the gradual and non-simultaneous elimination of B and C in the compound.

  9. Surface electronic structure of NiMnSb(001)

    NASA Astrophysics Data System (ADS)

    Correa, J. S.; Eibl, Ch.; Rangelov, G.; Braun, J.; Donath, M.

    2006-03-01

    We report on surface band structure measurements for the (001) surface of single crystal NiMnSb by angle-resolved photoelectron spectroscopy. Through comparisons of our data with previous angle-integrated experiments on various samples, polycrystals, and single crystals, we show that the binding energies of the observed photoemission peaks are sensitive to the particular surface condition and/or preparation. Additionally, our k -resolved measurements reveal a clear energy dispersion of the observed spectral features and a surface state candidate. We compare our measurements to fully-relativistic theoretical calculations and find that while they do not agree with the experimentally observed band dispersion they do explain the elemental origin and energy position of the normal emission photoemission results.

  10. Detecting forest structure and biomass with C-band multipolarization radar - Physical model and field tests

    NASA Technical Reports Server (NTRS)

    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.

  11. Advances in X-Band TW Accelerator Structures Operating in the 100 MV/M Regime

    SciTech Connect

    Higo, Toshiyasu; Higashi, Yasuo; Matsumoto, Shuji; Yokoyama, Kazue; Adolphsen, Chris; Dolgashev, Valery; Jensen, Aaron; Laurent, Lisa; Tantawi, Sami; Wang, Faya; Wang, Juwen; Dobert, Steffen; Grudiev, Alexej; Riddone, Germana; Wuensch, Walter; Zennaro, Riccardo; /CERN

    2012-07-05

    A CERN-SLAC-KEK collaboration on high gradient X-band accelerator structure development for CLIC has been ongoing for three years. The major outcome has been the demonstration of stable 100 MV/m gradient operation of a number of CLIC prototype structures. These structures were fabricated using the technology developed from 1994 to 2004 for the GLC/NLC linear collider initiative. One of the goals has been to refine the essential parameters and fabrication procedures needed to realize such a high gradient routinely. Another goal has been to develop structures with stronger dipole mode damping than those for GLC/NLC. The latter requires that the surface temperature rise during the pulse be higher, which may increase the breakdown rate. One structure with heavy damping has been RF processed and another is nearly finished. The breakdown rates of these structures were found to be higher by two orders of magnitude compared to those with equivalent acceleration mode parameters but without the damping features. This paper presents these results together with some of the earlier results from non-damped structures.

  12. Surface Structure and Surface Electronic States Related to Plasma Cleaning of Silicon and Germanium

    NASA Astrophysics Data System (ADS)

    Cho, Jaewon

    This thesis discusses the surface structure and the surface electronic states of Si and Ge(100) surfaces as well as the effects of oxidation process on the silicon oxide/Si(100) interface structure. The H-plasma exposure was performed in situ at low temperatures. The active species, produced in the H-plasma by the rf-excitation of H_2 gas, not only remove microcontaminants such as oxygen and carbon from the surface, but also passivate the surface with atomic hydrogen by satisfying the dangling bonds of the surface atoms. The surfaces were characterized by Angle Resolved UV-Photoemission Spectroscopy (ARUPS) and Low Energy Electron Diffraction (LEED). In the case of Si(100), H-plasma exposure produced ordered H-terminated crystallographic structures with either a 2 x 1 or 1 x 1 LEED pattern. The hydride phases, found on the surfaces of the cleaned Si(100), were shown to depend on the temperature of the surface during H-plasma cleaning. The electronic states for the monohydride and dihydride phases were identified by ARUPS. When the plasma cleaned surface was annealed, the phase transition from the dihydride to monohydride was observed. The monohydride Si-H surface bond was stable up to 460^circC, and the dangling bond surface states were identified after annealing at 500^circC which was accompanied by the spectral shift. The H-terminated surface were characterized to have a flat band structure. For the Ge(100) surface, an ordered 2 x 1 monohydride phase was obtained from the surface cleaned at 180 ^circC. After plasma exposure at <=170^circC a 1 x 1 surface was observed, but the ARUPS indicated that the surface was predominantly composed of disordered monohydride structures. After annealing above the H-dissociation temperatures, the shift in the spectrum was shown to occur with the dangling bond surface states. The H-terminated surfaces were identified to be unpinned. The interface structure of silicon oxide/Si(100) was studied using ARUPS. Spectral shifts were observed, which were dependent on the processes of surface preparation and oxidation. The shift was characterized in association with the band bending. The origins of the spectral shifts were discussed, including defects at interface and H-passivation in Si. The interface structure is considered to be dependent on the surface preparation and oxidation process.

  13. The Electronic Structure of Nonpolar Surfaces in Insulating Metal Oxides

    NASA Astrophysics Data System (ADS)

    Zherebetskyy, Danylo; Wang, Lin-Wang

    2013-03-01

    Understanding the electronic and geometric structures of metal oxide surfaces has a key interest in many technological areas. A randomly chosen crystal surface has a high probability of being polar, unstable and containing in-gap states due to surface dangling bonds. As a result, the surface should be stabilized by passivation or reconstruction. However, do the nonpolar surfaces of ionic crystals of insulating metal oxides need the passivation or reconstruction similar to covalent crystals? We address this question by analyzing the nonpolar surfaces and their electronic structure for the common crystal structures of metal oxides. The study using periodic DFT calculations is performed for following representatives: Cu2O, ZnO, Al2O3, TiO2, V2O5, WO3, CaTiO3, Mg2SiO4. It has been shown that the nonpolar surface can be constructed out of dipole-free, charge-neutral and stoichiometric unit cells for each crystal. We demonstrate that all constructed and relaxed nonpolar surfaces of the metal oxides show a clear band gap. It should be emphasized that the constructed surfaces are neither reconstructed nor passivated. Additionally, we show a correlation between the electronic structure of the relaxed surfaces and Ewald energies calculated for the surface ions.

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

    PubMed

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

    2016-05-16

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

  15. Spin-split bands of metallic hydrogenated ZnO ( 10 1 ¯ 0 ) surface: First-principles study

    NASA Astrophysics Data System (ADS)

    Absor, Moh. Adhib Ulil; Ishii, Fumiyuki; Kotaka, Hiroki; Saito, Mineo

    2016-02-01

    For spintronics applications, generation of significant spin transport is required, which is achieved by applying a semiconductor surface exhibiting metallic spin-split surface-state bands. We show that metallic spin-split surface-state bands are achieved on hydrogenated ZnO ( 10 1 ¯ 0 ) surface by using first-principles density-functional theory calculations. We find that these metallic surface-state bands with dominant Zn-s and p orbitals exhibit Rashba spin splitting with a strong anisotropic character. This finding makes spintronics devices using oxide electronics surface materials possible.

  16. Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type

    NASA Astrophysics Data System (ADS)

    Gu, Zhi-Gang; Heinke, Lars; Wöll, Christof; Neumann, Tobias; Wenzel, Wolfgang; Li, Qiang; Fink, Karin; Gordan, Ovidiu D.; Zahn, Dietrich R. T.

    2015-11-01

    The electronic properties of metal-organic frameworks (MOFs) are increasingly attracting the attention due to potential applications in sensor techniques and (micro-) electronic engineering, for instance, as low-k-dielectric in semiconductor technology. Here, the band gap and the band structure of MOFs of type HKUST-1 are studied in detail by means of spectroscopic ellipsometry applied to thin surface-mounted MOF films and by means of quantum chemical calculations. The analysis of the density of states, the band structure, and the excitation spectrum reveal the importance of the empty Cu-3d orbitals for the electronic properties of HKUST-1. This study shows that, in contrast to common belief, even in the case of this fairly "simple" MOF, the excitation spectra cannot be explained by a superposition of "intra-unit" excitations within the individual building blocks. Instead, "inter-unit" excitations also have to be considered.

  17. Tunable Band Alignment with Unperturbed Carrier Mobility of On-Surface Synthesized Organic Semiconducting Wires.

    PubMed

    Basagni, Andrea; Vasseur, Guillaume; Pignedoli, Carlo A; Vilas-Varela, Manuel; Peña, Diego; Nicolas, Louis; Vitali, Lucia; Lobo-Checa, Jorge; de Oteyza, Dimas G; Sedona, Francesco; Casarin, Maurizio; Ortega, J Enrique; Sambi, Mauro

    2016-02-23

    The tunable properties of molecular materials place them among the favorites for a variety of future generation devices. In addition, to maintain the current trend of miniaturization of those devices, a departure from the present top-down production methods may soon be required and self-assembly appears among the most promising alternatives. On-surface synthesis unites the promises of molecular materials and of self-assembly, with the sturdiness of covalently bonded structures: an ideal scenario for future applications. Following this idea, we report the synthesis of functional extended nanowires by self-assembly. In particular, the products correspond to one-dimensional organic semiconductors. The uniaxial alignment provided by our substrate templates allows us to access with exquisite detail their electronic properties, including the full valence band dispersion, by combining local probes with spatial averaging techniques. We show how, by selectively doping the molecular precursors, the product's energy level alignment can be tuned without compromising the charge carrier's mobility. PMID:26841052

  18. Tunable Band Alignment with Unperturbed Carrier Mobility of On-Surface Synthesized Organic Semiconducting Wires

    PubMed Central

    2016-01-01

    The tunable properties of molecular materials place them among the favorites for a variety of future generation devices. In addition, to maintain the current trend of miniaturization of those devices, a departure from the present top-down production methods may soon be required and self-assembly appears among the most promising alternatives. On-surface synthesis unites the promises of molecular materials and of self-assembly, with the sturdiness of covalently bonded structures: an ideal scenario for future applications. Following this idea, we report the synthesis of functional extended nanowires by self-assembly. In particular, the products correspond to one-dimensional organic semiconductors. The uniaxial alignment provided by our substrate templates allows us to access with exquisite detail their electronic properties, including the full valence band dispersion, by combining local probes with spatial averaging techniques. We show how, by selectively doping the molecular precursors, the product’s energy level alignment can be tuned without compromising the charge carrier’s mobility. PMID:26841052

  19. Fine structure of the amide i band in acetanilide

    NASA Astrophysics Data System (ADS)

    Careri, G.; Gratton, E.; Shyamsunder, E.

    1988-05-01

    Their absorption spectrum of both single crystals and powdered samples of acetanilide (a model system for proteins) has been studied in the amide i region, where a narrow band has been identified as a highly trapped soliton state. The powder-sample spectra have been decomposed using four Lorentzian bands. A strong temperature dependence has been found for the intensity of two of the subbands, which also show a complementary behavior. Polarization studies performed on thin crystals have shown that the subbands have the same polarization. Low-temperature spectra of partially deuterated samples show the presence of the subbands at the same absorption frequencies found using the fitting procedure in the spectra of nondeuterated samples. The soliton model currently proposed to explain the origin of the anomalous amide i component at 1650 cm-1 still holds, but some modification of the model is required to account for the new features revealed by this study.

  20. Partitioning of Bacterial Communities between Seawater and Healthy, Black Band Diseased, and Dead Coral Surfaces

    PubMed Central

    Frias-Lopez, Jorge; Zerkle, Aubrey L.; Bonheyo, George T.; Fouke, Bruce W.

    2002-01-01

    Distinct partitioning has been observed in the composition and diversity of bacterial communities inhabiting the surface and overlying seawater of three coral species infected with black band disease (BBD) on the southern Caribbean island of Curaçao, Netherlands Antilles. PCR amplification and sequencing of bacterial 16S rRNA genes (rDNA) with universally conserved primers have identified over 524 unique bacterial sequences affiliated with 12 bacterial divisions. The molecular sequences exhibited less than 5% similarity in bacterial community composition between seawater and the healthy, black band diseased, and dead coral surfaces. The BBD bacterial mat rapidly migrates across and kills the coral tissue. Clone libraries constructed from the BBD mat were comprised of eight bacterial divisions and 13% unknowns. Several sequences representing bacteria previously found in other marine and terrestrial organisms (including humans) were isolated from the infected coral surfaces, including Clostridium spp., Arcobacter spp., Campylobacter spp., Cytophaga fermentans, Cytophaga columnaris, and Trichodesmium tenue. PMID:11976091

  1. Band bending at the surface of Bi2Se3 studied from first principles

    NASA Astrophysics Data System (ADS)

    Rakyta, P.; Ujfalussy, B.; Szunyogh, L.

    2015-12-01

    The band bending (BB) effect on the surface of the second-generation topological insulators implies a serious challenge to design transport devices. The BB is triggered by the effective electric field generated by charged impurities close to the surface and by the inhomogeneous charge distribution of the occupied surface states (SSs). Our self-consistent calculations in the Korringa-Kohn-Rostoker framework showed that in contrast to the bulk bands, the spectrum of the SSs is not bent at the surface. In turn, it is possible to tune the energy level of the Dirac point via the deposited surface dopants. In addition, the electrostatic modifications induced by the charged impurities on the surface induce long range oscillations in the charge density. For dopants located beneath the surface, however, these oscillations become highly suppressed. Our findings are in good agreement with recent experiments, however, our results indicate that the concentration of the surface doping cannot be estimated from the energy shift of the Dirac cone within the scope of the effective continuous model for the protected SSs.

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

    SciTech Connect

    Cascales, Juan Pedro Martínez, Isidoro; Aliev, Farkhad G.; Katmis, Ferhat; Moodera, Jagadeesh S.; Chang, Cui-Zu; Guerrero, Rubén

    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.

  3. Ka-band backscattering from water surface at small incidence: A wind-wave tank study

    NASA Astrophysics Data System (ADS)

    Boisot, Olivier; Pioch, Sbastien; Fatras, Christophe; Caulliez, Guillemette; Bringer, Alexandra; Borderies, Pierre; Lalaurie, Jean-Claude; Gurin, Charles-Antoine

    2015-05-01

    We report on an experiment conducted at the large Pytheas wind-wave facility in Marseille to characterize the Ka-band radar return from water surfaces when observed at small incidence. Simultaneous measurements of capillary-gravity to gravity wave height and slopes and Normalized Radar Cross Section (NRCS) were carried out for various wind speeds and scattering angles. From this data set we construct an empirical two-dimensional wave number spectrum accounting for the surface current to describe water surface motions from decimeter to millimeter scales. Some consistency tests are proposed to validate the surface wave spectrum, which is then incorporated into simple analytical scattering models. The resulting directional NRCS is found in overall good agreement with the experimental values. Comparisons are performed with oceanic models as well as in situ measurements over different types of natural surfaces. The applicability of the present findings to oceanic as well as continental surfaces is discussed.

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

    SciTech Connect

    Sharma, G.; Munjal, N.; Vyas, V.; Kumar, R.; Sharma, B. K.; Joshi, K. B.

    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.

  5. A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane.

    PubMed

    Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

    2013-05-14

    We report a detailed theoretical study of the structural and vibrational properties of solid nitromethane using first principles density functional calculations. The ground state properties were calculated using a plane wave pseudopotential code with either the local density approximation, the generalized gradient approximation, or with a correction to include van der Waals interactions. Our calculated equilibrium lattice parameters and volume using a dispersion correction are found to be in reasonable agreement with the experimental results. Also, our calculations reproduce the experimental trends in the structural properties at high pressure. We found a discontinuity in the bond length, bond angles, and also a weakening of hydrogen bond strength in the pressure range from 10 to 12 GPa, picturing the structural transition from phase I to phase II. Moreover, we predict the elastic constants of solid nitromethane and find that the corresponding bulk modulus is in good agreement with experiments. The calculated elastic constants show an order of C11> C22 > C33, indicating that the material is more compressible along the c-axis. We also calculated the zone center vibrational frequencies and discuss the internal and external modes of this material under pressure. From this, we found the softening of lattice modes around 8-11 GPa. We have also attempted the quasiparticle band structure of solid nitromethane with the G0W0 approximation and found that nitromethane is an indirect band gap insulator with a value of the band gap of about 7.8 eV with G0W0 approximation. Finally, the optical properties of this material, namely the absorptive and dispersive part of the dielectric function, and the refractive index and absorption spectra are calculated and the contribution of different transition peaks of the absorption spectra are analyzed. The static dielectric constant and refractive indices along the three inequivalent crystallographic directions indicate that this material has a considerable optical anisotropy. PMID:23676062

  6. A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane

    NASA Astrophysics Data System (ADS)

    Appalakondaiah, S.; Vaitheeswaran, G.; Lebègue, S.

    2013-05-01

    We report a detailed theoretical study of the structural and vibrational properties of solid nitromethane using first principles density functional calculations. The ground state properties were calculated using a plane wave pseudopotential code with either the local density approximation, the generalized gradient approximation, or with a correction to include van der Waals interactions. Our calculated equilibrium lattice parameters and volume using a dispersion correction are found to be in reasonable agreement with the experimental results. Also, our calculations reproduce the experimental trends in the structural properties at high pressure. We found a discontinuity in the bond length, bond angles, and also a weakening of hydrogen bond strength in the pressure range from 10 to 12 GPa, picturing the structural transition from phase I to phase II. Moreover, we predict the elastic constants of solid nitromethane and find that the corresponding bulk modulus is in good agreement with experiments. The calculated elastic constants show an order of C11> C22 > C33, indicating that the material is more compressible along the c-axis. We also calculated the zone center vibrational frequencies and discuss the internal and external modes of this material under pressure. From this, we found the softening of lattice modes around 8-11 GPa. We have also attempted the quasiparticle band structure of solid nitromethane with the G0W0 approximation and found that nitromethane is an indirect band gap insulator with a value of the band gap of about 7.8 eV with G0W0 approximation. Finally, the optical properties of this material, namely the absorptive and dispersive part of the dielectric function, and the refractive index and absorption spectra are calculated and the contribution of different transition peaks of the absorption spectra are analyzed. The static dielectric constant and refractive indices along the three inequivalent crystallographic directions indicate that this material has a considerable optical anisotropy.

  7. Surface-plasmon enhanced photodetection at communication band based on hot electrons

    NASA Astrophysics Data System (ADS)

    Wu, Kai; Zhan, Yaohui; Wu, Shaolong; Deng, Jiajia; Li, Xiaofeng

    2015-08-01

    Surface plasmons can squeeze light into a deep-subwavelength space and generate abundant hot electrons in the nearby metallic regions, enabling a new paradigm of photoconversion by the way of hot electron collection. Unlike the visible spectral range concerned in previous literatures, we focus on the communication band and design the infrared hot-electron photodetectors with plasmonic metal-insulator-metal configuration by using full-wave finite-element method. Titanium dioxide-silver Schottky interface is employed to boost the low-energy infrared photodetection. The photodetection sensitivity is strongly improved by enhancing the plasmonic excitation from a rationally engineered metallic grating, which enables a strong unidirectional photocurrent. With a five-step electrical simulation, the optimized device exhibits an unbiased responsivity of 0.1 mA/W and an ultra-narrow response band (FWHM = 4.66 meV), which promises to be a candidate as the compact photodetector operating in communication band.

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

    NASA Technical Reports Server (NTRS)

    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

  9. One-dimensional electromagnetic band gap structures formed by discharge plasmas in a waveguide

    SciTech Connect

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

    2014-09-28

    We demonstrate the ability to develop one-dimensional electromagnetic band gap structure in X-band waveguide solely by using the positive columns of glow discharges in neon at the middle pressure. Plasma inhomogeneities are distributed uniformly along a typical X-band waveguide with cross section of 23×10 mm². It is shown that electron densities larger than 10¹⁴ cm ⁻³ are needed in order to create an effective one-dimensional electromagnetic band gap structure. Some applications for using the one-dimensional electromagnetic band gap structure in waveguide as a control of microwave (broadband filter and device for variation of pulse duration) are demonstrated.

  10. Calculation of the band structure of polyguanilic acid in the presence of water and Na+ ions

    NASA Astrophysics Data System (ADS)

    Ladik, J.; Bende, A.; Bogar, F.

    2007-08-01

    Using the Hartree-Fock crystal orbital method with a combined symmetry (helix) operation, the band structure of polyguanilic acid was calculated in the presence of water and Na+ ions. The water structure was optimized with the help of molecular mechanics.The obtained band structure shows that both the valence and conduction bands are purely guanine type. The three impurity bands in the 10.66eV large gap are close to the conduction band and therefore cannot play any role in the assumed hole conduction of the system. Namely, according to detailed x-ray diffraction investigations of the nucleosomes in chromatin, there are possibilities of charge transfer from the negative sites of DNA to the positive ones in histones. Therefore most probably there is a hole conduction in DNA and an electronic one in the histone proteins.

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

    PubMed

    Rotaru, Mihai; Sykulski, Jan

    2010-01-01

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

  12. Compact Electromagnetic Bandgap Structures for Notch Band in Ultra-Wideband Applications

    PubMed Central

    Rotaru, Mihai; Sykulski, Jan

    2010-01-01

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

  13. Nonlinear excitations in the honeycomb lattice: Beyond the high-symmetry points of the band structure

    NASA Astrophysics Data System (ADS)

    Arévalo, Edward; Morales-Molina, Luis

    2016-05-01

    The interplay between nonlinearity and the band structure of pristine honeycomb lattices is systematically explored. For that purpose, a theory of collective excitations valid for the first Brillouin zone of the lattice is developed. Closed-form expressions of two-dimensional excitations are derived for Bloch wave numbers beyond the high-symmetry points of the band structure. A description of the regions of validity of different nonlinear excitations in the first-Brillouin zone is given. We find that the unbounded nature of these excitations in nonlinear honeycomb latices is a signature of the strong influence of the Dirac cones in other parts of the band structure.

  14. Tunable band-notched coplanar waveguide based on localized spoof surface plasmons.

    PubMed

    Xu, Bingzheng; Li, Zhuo; Liu, Liangliang; Xu, Jia; Chen, Chen; Ning, Pingping; Chen, Xinlei; Gu, Changqing

    2015-10-15

    This Letter proposes a simple band-notched coplanar waveguide (BNCPW), which consists of a coplanar waveguide (CPW) and an ultra-thin periodic corrugated metallic strip that supports spoof surface plasmon polaritons (SSPPs) with defect units on the back of the substrate. By introducing a defect unit or multiple defect units into the strip, a narrow stopband or multiple narrow stopbands would be generated flexibly and conveniently. The band-notch function is based on the idea that a defect mode, which exists in the bandgap between the fundamental and the first higher mode of the SSPPs, can be introduced to form a stopband. Thus, the SSPPs field is localized around the defect units, which is another form of localized spoof surface plasmons (LSSPs). By properly tuning the dimensions of each defect unit, the absorption level and center frequency of the stopband could be adjusted independently. We offer theoretical analysis and experimental results to validate our idea and design. In this framework, a variety of band-notched devices and antennas in the microwave and terahertz (THz) frequencies can be easily designed without additional band-stop filters. PMID:26469594

  15. Characterization of the B/Si surface electronic structures

    SciTech Connect

    Cao, R.; Yang, X.; Pianetta, P.

    1992-11-01

    High resolution angle resolved core level and valence band photoelectron spectroscopy have been used to characterize the electronic structures of the B/Si(111)-({radical}3 x {radical}3) surfaces. The results have been compared with theoretic calculations and other group III metals and Si terminated Si(111) surfaces that share the same type of surface reconstruction. We have observed a structure evolution from B-T{sub 4} to B-S{sub 5} and finally to Si- T{sub 4} as deposited boron atoms diffuse into the substrate with increasing annealing temperature. The chemically shifted component appearing in the Si 2p core level spectrum is attributed to charge transfer from the top layer Si and Si adatoms to the sublayer B-S{sub 5} atoms. For the Si/Si(111)-({radical}3 {times} {radical}3) surface, a newly discovered chemically shifted component is associated with back bond formation between the Si adatoms and the underneath Si atoms. A new emission feature has been observed in the valence band spectra unique to the B/Si(111)-({radical}3 {times} {radical}3) surface with B-S{sub 5} configuration. Thin Ge layer growth on this structure has also been performed, and we found that no epitaxial growth could be achieved and the underneath structure was little disturbed.

  16. Europium underneath graphene on Ir(111): Intercalation mechanism, magnetism, and band structure

    NASA Astrophysics Data System (ADS)

    Schumacher, Stefan; Huttmann, Felix; Petrović, Marin; Witt, Christian; Förster, Daniel F.; Vo-Van, Chi; Coraux, Johann; Martínez-Galera, Antonio J.; Sessi, Violetta; Vergara, Ignacio; Rückamp, Reinhard; Grüninger, Markus; Schleheck, Nicolas; Meyer zu Heringdorf, Frank; Ohresser, Philippe; Kralj, Marko; Wehling, Tim O.; Michely, Thomas

    2014-12-01

    The intercalation of Eu underneath Gr on Ir(111) is comprehensively investigated by microscopic, magnetic, and spectroscopic measurements, as well as by density functional theory. Depending on the coverage, the intercalated Eu atoms form either a (2 ×2 ) or a (√{3 }×√{3 }) R 30∘ superstructure with respect to Gr. We investigate the mechanisms of Eu penetration through a nominally closed Gr sheet and measure the electronic structures and magnetic properties of the two intercalation systems. Their electronic structures are rather similar. Compared to Gr on Ir(111), the Gr bands in both systems are essentially rigidly shifted to larger binding energies resulting in n doping. The hybridization of the Ir surface state S1 with Gr states is lifted, and the moiré superperiodic potential is strongly reduced. In contrast, the magnetic behavior of the two intercalation systems differs substantially, as found by x-ray magnetic circular dichroism. The (2 ×2 ) Eu structure displays plain paramagnetic behavior, whereas for the (√{3 }×√{3 }) R 30∘ structure the large zero-field susceptibility indicates ferromagnetic coupling, despite the absence of hysteresis at 10 K. For the latter structure, a considerable easy-plane magnetic anisotropy is observed and interpreted as shape anisotropy.

  17. Optically decomposed near-band-edge structure and excitonic transitions in Ga2S3

    PubMed Central

    Ho, Ching-Hwa; Chen, Hsin-Hung

    2014-01-01

    The band-edge structure and band gap are key parameters for a functional chalcogenide semiconductor to its applications in optoelectronics, nanoelectronics, and photonics devices. Here, we firstly demonstrate the complete study of experimental band-edge structure and excitonic transitions of monoclinic digallium trisulfide (Ga2S3) using photoluminescence (PL), thermoreflectance (TR), and optical absorption measurements at low and room temperatures. According to the experimental results of optical measurements, three band-edge transitions of EA = 3.052 eV, EB = 3.240 eV, and EC = 3.328 eV are respectively determined and they are proven to construct the main band-edge structure of Ga2S3. Distinctly optical-anisotropic behaviors by orientation- and polarization-dependent TR measurements are, respectively, relevant to distinguish the origins of the EA, EB, and EC transitions. The results indicated that the three band-edge transitions are coming from different origins. Low-temperature PL results show defect emissions, bound-exciton and free-exciton luminescences in the radiation spectra of Ga2S3. The below-band-edge transitions are respectively characterized. On the basis of experimental analyses, the optical property of near-band-edge structure and excitonic transitions in the monoclinic Ga2S3 crystal is revealed. PMID:25142550

  18. Lunar near-surface structure

    NASA Technical Reports Server (NTRS)

    Cooper, M. R.; Kovach, R. L.; Watkins, J. S.

    1974-01-01

    Seismic refraction data obtained at the Apollo 14, 16, and 17 landing sites permit a compressional wave velocity profile of the lunar near surface to be derived. Beneath the regolith at the Apollo 14 Fra Mauro site and the Apollo 16 Descartes site is material with a seismic velocity of about 300 m/sec, believed to be brecciated material or impact-derived debris. Considerable detail is known about the velocity structure at the Apollo 17 Taurus-Littrow site. Seismic velocities of 100, 327, 495, 960, and 4700 m/sec are observed. The depth to the top of the 4700-m/sec material is 1385 m, compatible with gravity estimates for the thickness of mare basaltic flows, which fill the Taurus-Littrow valley. The observed magnitude of the velocity change with depth and the implied steep velocity-depth gradient of more than 2 km/sec/km are much larger than have been observed on compaction experiments on granular materials and preclude simple cold compaction of a fine-grained rock powder to thicknesses of the order of kilometers.

  19. Features of the band structure for semiconducting iron, ruthenium, and osmium monosilicides

    SciTech Connect

    Shaposhnikov, V. L. Migas, D. B.; Borisenko, V. E.; Dorozhkin, N. N.

    2009-02-15

    The pseudopotential method has been used to optimize the crystal lattice and calculate the energy band spectra for iron, ruthenium and, osmium monosilicides. It is found that all these compounds are indirect-gap semiconductors with band gaps of 0.17, 0.22, and 0.50 eV (FeSi, RuSi, and OsSi, respectively). A distinctive feature of their band structure is the 'loop of extrema' both in the valence and conduction bands near the center of the cubic Brillouin zone.

  20. Surface transport of nutrients from surface broadcast and subsurface-banded broiler litter

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Broiler chicken litter is commonly used as a fertilizer on pastures and cropland in major broiler-producing states. However, phosphorus (P) loss from fields fertilized with broiler litter contributes to eutrophication and growth of toxic algae in surface waters. Recently, to reduce surface transpo...

  1. Self-consistent band structure of layered semiconductor ZnPS3

    NASA Astrophysics Data System (ADS)

    Kurita, Noriyuki; Nakao, Kenji

    1987-12-01

    The band structure of zinc chalcogenophosphate ZnPS3 is calculated self-consistently by the numerical-basis-set LCAO method using the Gaussian-fitted basis functions and the norm-conserving pseudopotential. The main features are the following: the indirect band gap is 2.0 eV; the higher valence bands and the lower conduction bands originate mainly from the S 3p states and the Zn 4s, P 3s, S 3p(x) and S 3p(y) states, respectively; the Zn 3d band splits into two narrow groups and each of them lies at 7.0 eV and 8.1 eV below the top of the valence band.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

  3. S-band accelerating structures for the PAL-XFEL

    NASA Astrophysics Data System (ADS)

    Lee, Heung-Soo; Park, Young Jung; Joo, Young-Do; Heo, Hoon; Heo, Jinyul; Kim, Sang-Hee; Park, Soung-Soo; Hwang, Woon Ha; Kang, Heung-Sik; Kim, Kwang-woo; Ko, In-Soo; Oh, Kyoung-Min; Noh, Sung-Joo; Bak, Yong Hwan; Matsumoto, Hiroshi

    2015-02-01

    One hundred seventy-two accelerating structures are required for the Pohang Accelerator Laboratory X-ray free-electron laser's (PAL-XFEL's) 10-GeV main linear accelerator. So far, we have purchased 80 structures from Mitsubishi Heavy Industry (MHI), which have quasi-symmetric couplers in the accelerating structure to reduce the quadruple and the sextuple components of the electric field in the coupling cavity. High-power tests have been conducted for the first structure of the MHI structure, and Research Instruments (RI) has developed a 3-m long accelerating structure that has an operating frequency of 2856 MHz and in/out couplers of quasi-symmetric racetrack shape for the PAL-XFEL linear accelerator. This structure also has been tested by PAL and RI in the Pohang accelerator laboratory (PAL) to check the maximum available electric field gradient. We will describe the test results of these structures and the current status for the fabrication of the other accelerating structures in this paper.

  4. Early stages of plasma induced nitridation of Si (111) surface and study of interfacial band alignment

    NASA Astrophysics Data System (ADS)

    Shetty, Satish; Shivaprasad, S. M.

    2016-02-01

    We report here a systematic study of the nitridation of the Si (111) surface by nitrogen plasma exposure. The surface and interface chemical composition and surface morphology are investigated by using RHEED, X-ray photoelectron spectroscopy, and atomic force microscopy (AFM). At the initial stage of nitridation two superstructures—"8 × 8" and "8/3 × 8/3"—form, and further nitridation leads to 1 × 1 stoichiometric silicon nitride. The interface is seen to have the Si1+ and Si3+ states of silicon bonding with nitrogen, which suggests an atomically abrupt and defect-free interface. The initial single crystalline silicon nitride layers are seen to become amorphous at higher thicknesses. The AFM image shows that the nitride nucleates at interfacial dislocations that are connected by sub-stoichiometric 2D-nitride layers, which agglomerate to form thick overlayers. The electrical properties of the interface yield a valence band offset that saturates at 1.9 eV and conduction band offset at 2.3 eV due to the evolution of the sub-stoichiometric interface and band bending.

  5. Valence and conduction band structure of the quasi-two-dimensional semiconductor Sn S2

    NASA Astrophysics Data System (ADS)

    Racke, David A.; Neupane, Mahesh R.; Monti, Oliver L. A.

    2016-02-01

    We present the momentum-resolved photoemission spectroscopy of both the valence and the conduction band region in the quasi-two-dimensional van der Waals-layered indirect band gap semiconductor Sn S2 . Using a combination of angle-resolved ultraviolet photoemission and angle-resolved two-photon photoemission (AR-2PPE) spectroscopy, we characterize the band structure of bulk Sn S2 . Comparison with density functional theory calculations shows excellent quantitative agreement in the valence band region and reveals several localized bands that likely originate from defects such as sulfur vacancies. Evidence for a moderate density of defects is also observed by AR-2PPE in the conduction band region, leading to localized bands not present in the computational results. The energetic structure and dispersion of the conduction bands is captured well by the computational treatment, with some quantitative discrepancies remaining. Our results provide a broader understanding of the electronic structure of Sn S2 in particular and van der Waals-layered semiconductors in general.

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

    SciTech Connect

    Zhu, Hong; Sun, Wenhao; Ceder, Gerbrand; Armiento, Rickard; Lazic, Predrag

    2014-02-24

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

  7. Band alignment of vanadium oxide as an interlayer in a hafnium oxide-silicon gate stack structure

    NASA Astrophysics Data System (ADS)

    Zhu, Chiyu; Kaur, Manpuneet; Tang, Fu; Liu, Xin; Smith, David J.; Nemanich, Robert J.

    2012-10-01

    Vanadium oxide (VO2) is a narrow band gap material (Eg = 0.7 eV) with a thermally induced insulator-metal phase transition at ˜343 K and evidence of an electric field induced transition at T < 343 K. To explore the electronic properties of VO2, a sandwich structure was prepared with a 2 nm VO2 layer embedded between an oxidized Si(100) surface and a 2 nm hafnium oxide (HfO2) layer. The layer structure was confirmed with high resolution transmission electron microscopy. The electronic properties were characterized with x-ray and ultraviolet photoemission spectroscopy, and the band alignment was deduced on both n-type and p-type Si substrates. The valence band offset between VO2 and SiO2 is measured to be 4.0 eV. The valence band offset between HfO2 and VO2 is measured to be ˜3.4 eV. The band relation developed from these results demonstrates the potential for charge storage and switching for the embedded VO2 layer.

  8. Reinvestigation of the collective band structures in odd-odd 138Pm nucleus

    NASA Astrophysics Data System (ADS)

    Li, H. J.; Xiao, Z. G.; Zhu, S. J.; Qi, C.; Yeoh, E. Y.; Zhang, Z.; Wang, R. S.; Yi, H.; Yan, W. H.; Xu, Q.; Wu, X. G.; He, C. Y.; Zheng, Y.; Li, G. S.; Li, C. B.; Li, H. W.; Liu, J. J.; Hu, S. P.; Wang, J. L.; Yao, S. H.

    2015-05-01

    The high-spin states in the odd-odd 138Pm nucleus have been reinvestigated via the 124Te(19F, 5 n) reaction at the beam energy of 103 MeV. Most of the known transitions and levels are confirmed. A number of bands are revised and one new band has been established. For the yrast πh 11/2⊗ νh 11/2 band based on 8+ state, no evidence supporting the occurence of signature inversion is found. The experimental and theoretical B( M1)/ B( E2) ratios have been calculated for band (2), which support the πg 7/2[413]5/2+ ⊗ νh 11/2[514]9/2- Nilsson configuration assignment. Four bands with ΔI = 2 transitions are tentatively assigned as doubly decoupled bands. The other three bands are proposed as oblate-triaxial bands. The possible configuration assignments for these bands are also discussed under the calculations of total Routhian surface and particle-rotor model.

  9. Sea Surface Wind Field by X-Band TerraSAR-X and Tandem-X

    NASA Astrophysics Data System (ADS)

    Lehner, Susanne; Li, Xiaoming; Ren, Yongzheng; He, Mingxia

    2013-01-01

    In the present study, we present the newly developed Geophysical Model Function (GMF), denoted XMOD2, to retrieve the sea surface wind field from X-band TerraSAR-X/Tandem-X (TS-X/TD-X) data. In contrary to the previous XMOD1, XMOD2 is based on a nonlinear GMF, and moreover it also depicts the difference between upwind and downwind of the sea surface backscatter. By exploiting 371 collocations, the retrieved TS-X/TD-X sea surface wind speed by XMOD2 agrees well with in situ buoy measurements with a bias of 0.39 m/s, an RMSE of 1.52 m/s and a scatter index (SI) of 16.1%. To evaluate the sea surface wind field retrieved from X-band SAR, we conducted a joint campaign in the South China Sea in August, 2011. Examples of sea surface wind field retrieved from the TS-X/TD-X data acquired in the campaign are shown for demonstration.

  10. B3LYP, BLYP and PBE DFT band structures of the nucleotide base stacks

    NASA Astrophysics Data System (ADS)

    Szekeres, Zs; Bogr, F.; Ladik, J.

    DFT crystal orbital (band structure) calculations have been performed for the nucleotide base stacks of cytosine, thymine, adenine, and guanine arranged in DNA B geometry. The band structures obtained with PBE, BLYP, and B3LYP functionals are presented and compared to other related experimental and theoretical results. The influence of the quality of the basis set on the fundamental gap values was also investigated using Clementi's double ?, 6-31G and 6-31G* basis sets.

  11. Banded spherulitic structures of poly(ethylene adipate), poly(butylene succinate) and in their blends.

    PubMed

    Wang, Tianchang; Wang, Haijun; Li, Huihui; Gan, Zhihua; Yan, Shouke

    2009-03-14

    Banded spherulites of PEA, PBS and their PBS-PEA blends were studied by optical and atomic force microscopies. It was found that PEA forms a regular banded structure within the temperature range 23 degrees C to 36 degrees C, otherwise only Maltese-cross spherulites are observed. The banded PEA spherulites exhibit a double ring feature with band spacing between two equivalent birefringent rings increasing with temperature. The ring extinction in PEA banded spherulites is caused by a lamellar twist. There exist two equivalent positions in one twisting period, which show no birefringence. The PBS can also grow in ring-banded spherulites in a wide temperature window with the high temperature threshold for forming banded structures that are not sharply delineated, as in the case of PEA. Also the double ring feature is not so pronounced for the spherulites of pure PBS. Blending PBS with PEA is found to favor the formation of PBS banded structures. During the crystallization process, the early growing PBS spherulites at 75 degrees C show weak birefringence with an evident ring-banded structure. The crystallization of PEA at 0 degrees C makes a great contribution to the birefringence increment of the initially-birefringent rings. This is caused by the analogic crystal orientation of PBS and PEA based on interlamellar phase separation as revealed by AFM observation. The band spacing of PBS spherulites is found to be increase with both increasing temperature and increasing PEA content. This stems from an increment in chain mobility of PBS both with temperature and addition of the PEA component. PMID:19240940

  12. Satellite Surface Characterization from Non-resolved Multi-band Optical Observations

    NASA Astrophysics Data System (ADS)

    Hall, D.; Hamada, K.; Kelecy, T.; Kervin, P.

    2012-09-01

    Ground-based optical and radar sites routinely acquire resolved images of satellites. These resolved images provide the means to construct accurate wire-frame models of the observed body, as well as an understanding of its orientation as a function of time. Unfortunately, because such images are typically acquired at a single wavelength, this kind of analysis provides little or no information on the types of materials covering the satellite's various surfaces. Detailed surface material characterization generally requires multi-band radiometric and/or spectrometric measurements. Fortunately, many widely-available instruments provide such multi-band information (e.g., spectrographs and multi-channel photometers). However, these sensors typically measure the brightness of sunlight reflected from the entire satellite, with no spatial resolution at all. Because such whole-body measurements represent a summation of contributions from many reflecting surfaces, an "un-mixing" analysis process must be employed to characterize the reflectance of the satellite's sub-components. The objective of this presentation is to outline the theory required to retrieve satellite surface properties from temporal sequences of whole-body, multi-band brightness measurements, focusing on two newly-developed analysis methods. Both methods require the following as input: 1) a set of multi-band measurements of a satellite's reflected-sunlight brightness, 2) the satellite's wire-frame model, including each major sub-component capable of reflecting sunlight, 3) the satellite's attitude, specifying the orientation of all of the body's components at the time of each multi-band measurement. In addition, the first method requires laboratory-measured bi-directional reflection distribution functions (BRDFs) for a set of candidate materials covering the satellite's surfaces, and yields estimates of the fraction of each major satellite sub-component covered by each candidate material. The second method does not require any pre-tabulated BRDFs, but instead attempts to retrieve BRDFs for each major satellite sub-component from the non-resolved data using a series expansion approach.

  13. Analysis of frequency band structure in one-dimensional sonic crystal using Webster horn equation

    NASA Astrophysics Data System (ADS)

    Gupta, A.; Lim, K. M.; Chew, C. H.

    2011-05-01

    Sound propagation through periodic arrangement of scatterers lead to formation of bands of frequencies, known as band gaps, where sound cannot propagate though the structure. We propose a method based on Webster horn equation, along with Floquet theorem, to predict the band gap of a one-dimensional periodic structure made of hard sound-scatterers. The method is further modified to obtain the complex wave numbers, which give the decay constants. The decay constant is used to predict the sound attenuation of the evanescent wave in the finite sonic crystal. The theoretical prediction is verified with experimental measurements.

  14. Near-infrared observations of galaxies in Pisces-Perseus. I. vec H-band surface photometry of 174 spiral

    NASA Astrophysics Data System (ADS)

    Moriondo, G.; Baffa, C.; Casertano, S.; Chincarini, G.; Gavazzi, G.; Giovanardi, C.; Hunt, L. K.; Pierini, D.; Sperandio, M.; Trinchieri, G.

    1999-05-01

    We present near-infrared, H-band (1.65 $() μm), surface photometry of 174 spiral galaxies in the area of the Pisces-Perseus supercluster. The images, acquired with the ARNICA camera mounted on various telescopes, are used to derive radial profiles of surface brightness, ellipticities, and position angles, together with global parameters such as H-band magnitudes and diameters Radial profiles in tabular form and images FITS files are also available upon request from gmorio@arcetri.astro.it.}. The mean relation between H-band isophotal diameter D_{21.5} and the B-band D25 implies a B-H color of the outer disk bluer than 3.5; moreover, D_{21.5}/D25 depends on (global) color and absolute luminosity. The correlations among the various photometric parameters suggest a ratio between isophotal radius D_{21.5}/2 and disk scale length of ~ m3.5 and a mean disk central brightness ~ meq 17.5 H-mag arcsec^{-2}. We confirm the trend of the concentration index C31$ with absolute luminosity and, to a lesser degree, with morphological type. We also assess the influence of non-axisymmetric structures on the radial profiles and on the derived parameters. Based on observations at the TIRGO, NOT, and VATT telescopes. TIRGO (Gornergrat, CH) is operated by CAISMI-CNR, Arcetri, Firenze. NOT (La Palma, Canary Islands) is operated by NOTSA, the Nordic Observatory Scientific Association. VATT (Mt. Graham, Az) is operated by VORG, the Vatican Observatory Research Group Table 3 and Fig. 4 are only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/Abstract.html.

  15. Space-based detection of wetlands' surface water level changes from L-band SAR interferometry

    USGS Publications Warehouse

    Wdowinski, S.; Kim, S.-W.; Amelung, F.; Dixon, T.H.; Miralles-Wilhelm, F.; Sonenshein, R.

    2008-01-01

    Interferometric processing of JERS-1 L-band Synthetic Aperture Radar (SAR) data acquired over south Florida during 1993-1996 reveals detectable surface changes in the Everglades wetlands. Although our study is limited to south Florida it has implication for other large-scale wetlands, because south Florida wetlands have diverse vegetation types and both managed and natural flow environments. Our analysis reveals that interferometric coherence level is sensitive to wetland vegetation type and to the interferogram time span. Interferograms with time spans less than six months maintain phase observations for all wetland types, allowing characterization of water level changes in different wetland environments. The most noticeable changes occur between the managed and the natural flow wetlands. In the managed wetlands, fringes are organized, follow patterns related to some of the managed water control structures and have high fringe-rate. In the natural flow areas, fringes are irregular and have a low fringe-rate. The high fringe rate in managed areas reflects dynamic water topography caused by high flow rate due to gate operation. Although this organized fringe pattern is not characteristic of most large-scale wetlands, the high level of water level change enables accurate estimation of the wetland InSAR technique, which lies in the range of 5-10??cm. The irregular and low rate fringe pattern in the natural flow area reflects uninterrupted flow that diffuses water efficiently and evenly. Most of the interferograms in the natural flow area show an elongated fringe located along the transitional zone between salt- and fresh-water wetlands, reflecting water level changes due to ocean tides. ?? 2007 Elsevier Inc. All rights reserved.

  16. Band structure in /sup 180/Ta studied with transfer reactions

    SciTech Connect

    Warde, E.; Costa, G.J.; Magnac, D.; Seltz, R.; Gerardin, C.; Buenerd, M.; Martin, P.; Saathoff, W.; Wiedner, C.A.

    1983-01-01

    The differential cross sections of emitted particles have been measured in the reactions /sup 181/Ta(p,d)/sup 180/Ta at 19 MeV, /sup 179/Hf(/sup 3/He,d)/sup 180/Ta at 36 MeV, and /sup 179/Hf(..cap alpha..,t)/sup 180/Ta at 62.2 MeV. The energy resolution was 15 to 40 keV depending on the reaction. Differential cross sections were fitted using a distorted wave program and level characteristics of /sup 180/Ta were deduced in the framework of the Nilsson model for odd-odd deformed nuclei including Coriolis coupling. Members of rotational bands have been identified up to 1 MeV excitation energy. The short-lived isomer in /sup 180/Ta with spin 1/sup +/ was found to be the ground state whereas the long-lived isomer at 82 +- 20 keV excitation energy has spin 9/sup -/.

  17. Functional topography of band 3: specific structural alteration linked to function aberrations in human erythrocytes

    SciTech Connect

    Kay, M.M.B.; Bosman, G.J.C.G.M.; Lawrence, C.

    1988-01-01

    Band 3 is the major anion transport polypeptide of erythrocytes. It appears to be the binding site of several glycolytic enzymes. Structurally, band 3 is the major protein spanning the erythrocyte membrane and connects the plasma membrane to band 2.1, which binds to the cytoskeleton. In the present study, the authors report an alteration of band 3 molecule that is associated with the following changes: erythrocyte shape change from discoid to thorny cells (acanthocytes), restriction of rotational diffusion of band 3 in the membrane, increase in anion transport, and decrease in the number of high-affinity ankyrin-binding sites. Changes in erythrocyte IgG binding, glyceraldehyde-3-phosphate dehydrogenase, fluorescence polarization (indicative of membrane fluidity), and other membrane proteins as determined by polyacrylamide gel electrophoresis were not detected. Cells containing the altered band 3 polypeptide were obtained from individuals with abnormal erythrocyte morphology. Two-dimensional peptide maps revealed differences in the M/sub r/ 17,000 anion transport segment of band 3 consistent with additions of tyrosines or tyrosine-containing peptides. The data suggest that (i) this alteration of band 3 does not result in accelerated aging as does cleavage and (ii) structural changes in the anion transport region result in alterations in anion transport.

  18. Fine structure of the red luminescence band in undoped GaN

    SciTech Connect

    Reshchikov, M. A.; Usikov, A.; Helava, H.; Makarov, Yu.

    2014-01-20

    Many point defects in GaN responsible for broad photoluminescence (PL) bands remain unidentified. Their presence in thick GaN layers grown by hydride vapor phase epitaxy (HVPE) detrimentally affects the material quality and may hinder the use of GaN in high-power electronic devices. One of the main PL bands in HVPE-grown GaN is the red luminescence (RL) band with a maximum at 1.8 eV. We observed the fine structure of this band with a zero-phonon line (ZPL) at 2.36 eV, which may help to identify the related defect. The shift of the ZPL with excitation intensity and the temperature-related transformation of the RL band fine structure indicate that the RL band is caused by transitions from a shallow donor (at low temperature) or from the conduction band (above 50 K) to an unknown deep acceptor having an energy level 1.130 eV above the valence band.

  19. Tuning of band structures in porous phononic crystals by grading design of cells.

    PubMed

    Wang, Kai; Liu, Ying; Yang, Qin-shan

    2015-08-01

    As the results of the evolution of species, grading structures widely exist in the nature and display distinguish advantages. In this manuscript, grading concept is introduced to redesign the topological structure of pores with the aim to see the effects of grading on the band structure in porous phononic crystals. Circular pores are considered and the crossing grading is made. The wave dispersion in graded structures is investigated comparatively to the normal ones under the same porosity. The band gaps in grading structures are given, as well as the vibration modes of the unit cell corresponding to the absolute band gap (ABG) edges. The results show that the grading structure greatly decreases the critical porosity for the opening of the ABGs. Wider ABGs could be obtained at lower frequencies along with the increase of the porosity. Through controlling the topological parameters of the grading structure, the band structure could be tuned. These results will provide an important guidance in the band tuning in porous phononic crystals by grading design of cells. PMID:25890636

  20. Surface electronic structure of polar NiO thin film grown on Ag(111)

    NASA Astrophysics Data System (ADS)

    Das, Jayanta; Menon, Krishnakumar S. R.

    2015-06-01

    The growth and structure of NiO thin films on top of Ag(111) substrate were studied where the formation of faceted surface was confirmed by Low Energy Electron Diffraction. The electronic structure of polar NiO(111) surface has been probed using photoemission techniques. The core energy levels and the valence band electronic structure were excited by x-ray and ultraviolet photons respectively. The modifications in physical structure and valence band electronic structure of the film under vacuum annealing have also been enlightened.

  1. Determination of energy-band dispersion curves in strained-layer structures

    SciTech Connect

    Jones, E.D.; Lyo, S.K.; Fritz, I.J.; Klem, J.F.; Schirber, J.E.; Tigges, C.P.; Drummond, T.J.

    1989-05-29

    Simultaneous measurement of both the conduction- and valence-band dispersion curves in single strained-layer structures is presented. These measurements rely on the application of recent observations regarding breaking of the usual selection rules for interband magnetoluminescence transitions in modulation-doped structures. Low-temperature magneto-luminescence data for three representative InGaAs/GaAs n-type single-strained quantum well structures are presented. For energies approaching 50 meV above the band gap, we find that the conduction band is parabolic with an effective mass of 0.071m/sub 0/. Over the same energy range, the valence bands are highly nonparabolic.

  2. Brain surface conformal parameterization using Riemann surface structure.

    PubMed

    Wang, Yalin; Lui, Lok Ming; Gu, Xianfeng; Hayashi, Kiralee M; Chan, Tony F; Toga, Arthur W; Thompson, Paul M; Yau, Shing-Tung

    2007-06-01

    In medical imaging, parameterized 3-D surface models are useful for anatomical modeling and visualization, statistical comparisons of anatomy, and surface-based registration and signal processing. Here we introduce a parameterization method based on Riemann surface structure, which uses a special curvilinear net structure (conformal net) to partition the surface into a set of patches that can each be conformally mapped to a parallelogram. The resulting surface subdivision and the parameterizations of the components are intrinsic and stable (their solutions tend to be smooth functions and the boundary conditions of the Dirichlet problem can be enforced). Conformal parameterization also helps transform partial differential equations (PDEs) that may be defined on 3-D brain surface manifolds to modified PDEs on a two-dimensional parameter domain. Since the Jacobian matrix of a conformal parameterization is diagonal, the modified PDE on the parameter domain is readily solved. To illustrate our techniques, we computed parameterizations for several types of anatomical surfaces in 3-D magnetic resonance imaging scans of the brain, including the cerebral cortex, hippocampi, and lateral ventricles. For surfaces that are topologically homeomorphic to each other and have similar geometrical structures, we show that the parameterization results are consistent and the subdivided surfaces can be matched to each other. Finally, we present an automatic sulcal landmark location algorithm by solving PDEs on cortical surfaces. The landmark detection results are used as constraints for building conformal maps between surfaces that also match explicitly defined landmarks. PMID:17679336

  3. Brain Surface Conformal Parameterization Using Riemann Surface Structure

    PubMed Central

    Wang, Yalin; Lui, Lok Ming; Gu, Xianfeng; Hayashi, Kiralee M.; Chan, Tony F.; Toga, Arthur W.; Thompson, Paul M.; Yau, Shing-Tung

    2011-01-01

    In medical imaging, parameterized 3-D surface models are useful for anatomical modeling and visualization, statistical comparisons of anatomy, and surface-based registration and signal processing. Here we introduce a parameterization method based on Riemann surface structure, which uses a special curvilinear net structure (conformal net) to partition the surface into a set of patches that can each be conformally mapped to a parallelogram. The resulting surface subdivision and the parameterizations of the components are intrinsic and stable (their solutions tend to be smooth functions and the boundary conditions of the Dirichlet problem can be enforced). Conformal parameterization also helps transform partial differential equations (PDEs) that may be defined on 3-D brain surface manifolds to modified PDEs on a two-dimensional parameter domain. Since the Jacobian matrix of a conformal parameterization is diagonal, the modified PDE on the parameter domain is readily solved. To illustrate our techniques, we computed parameterizations for several types of anatomical surfaces in 3-D magnetic resonance imaging scans of the brain, including the cerebral cortex, hippocampi, and lateral ventricles. For surfaces that are topologically homeomorphic to each other and have similar geometrical structures, we show that the parameterization results are consistent and the subdivided surfaces can be matched to each other. Finally, we present an automatic sulcal landmark location algorithm by solving PDEs on cortical surfaces. The landmark detection results are used as constraints for building conformal maps between surfaces that also match explicitly defined landmarks. PMID:17679336

  4. Estimating Sea Surface Salinity and Wind Using Combined Passive and Active L-Band Microwave Observations

    NASA Technical Reports Server (NTRS)

    Yueh, Simon H.; Chaubell, Mario J.

    2012-01-01

    Several L-band microwave radiometer and radar missions have been, or will be, operating in space for land and ocean observations. These include the NASA Aquarius mission and the Soil Moisture Active Passive (SMAP) mission, both of which use combined passive/ active L-band instruments. Aquarius s passive/active L-band microwave sensor has been designed to map the salinity field at the surface of the ocean from space. SMAP s primary objectives are for soil moisture and freeze/thaw detection, but it will operate continuously over the ocean, and hence will have significant potential for ocean surface research. In this innovation, an algorithm has been developed to retrieve simultaneously ocean surface salinity and wind from combined passive/active L-band microwave observations of sea surfaces. The algorithm takes advantage of the differing response of brightness temperatures and radar backscatter to salinity, wind speed, and direction, thus minimizing the least squares error (LSE) measure, which signifies the difference between measurements and model functions of brightness temperatures and radar backscatter. The algorithm uses the conjugate gradient method to search for the local minima of the LSE. Three LSE measures with different measurement combinations have been tested. The first LSE measure uses passive microwave data only with retrieval errors reaching 1 to 2 psu (practical salinity units) for salinity, and 1 to 2 m/s for wind speed. The second LSE measure uses both passive and active microwave data for vertical and horizontal polarizations. The addition of active microwave data significantly improves the retrieval accuracy by about a factor of five. To mitigate the impact of Faraday rotation on satellite observations, the third LSE measure uses measurement combinations invariant under the Faraday rotation. For Aquarius, the expected RMS SSS (sea surface salinity) error will be less than about 0.2 psu for low winds, and increases to 0.3 psu at 25 m/s wind speed for warm waters (25 C). To achieve the required 0.2 psu accuracy, the impact of sea surface roughness (e.g. wind-generated ripples) on the observed brightness temperature has to be corrected to better than one tenth of a degree Kelvin. With this algorithm, the accuracy of retrieved wind speed will be high, varying from a few tenths to 0.6 m/s. The expected direction accuracy is also excellent (less than 10 ) for mid to high winds, but degrades for lower speeds (less than 7 m/s).

  5. Micro-metric electronic patterning of a topological band structure using a photon beam

    NASA Astrophysics Data System (ADS)

    Golden, Mark; Frantzeskakis, Emmanouil; de Jong, Nick; Huang, Yingkai; Wu, Dong; Pan, Yu; de Visser, Anne; van Heumen, Erik; van Bay, Tran; Zwartsenberg, Berend; Pronk, Pieter; Varier Ramankutty, Shyama; Tytarenko, Alona; Xu, Nan; Plumb, Nick; Shi, Ming; Radovic, Milan; Varkhalov, Andrei

    2015-03-01

    The only states crossing EF in ideal, 3D TIs are topological surface states. Single crystals of Bi2Se3andBi2Te3 are too defective to exhibit bulk-insulating behaviour, and ARPES shows topologically trivial 2DEGs at EF in the surface region due to downward band bending. Ternary & quaternary alloys of Bi /Te /Se /Sb hold promise for obtaining bulk-insulating crystals. Here we report ARPES data from quaternary, bulk-insulating, Bi-based TIs. Shortly after cleavage in UHV, downward band bending pulls the bulk conduction band below EF, once again frustrating the ``topological only'' ambition for the Fermi surface. However, there is light at the end of the tunnel: we show that a super-band-gap photon beam generates a surface photovoltage sufficient to flatten the bands, thereby recovering the ideal, ``topological only'' situation. In our bulk-insulating quaternary TIs, this effect is local in nature, and permits the writing of arbitrary, micron-sized patterns in the topological energy landscape at the surface. Support from FOM, NWO and the EU is gratefully acknowledged.

  6. Application and comparison of band gap narrowing models for passivated phosphorus doped silicon surfaces

    NASA Astrophysics Data System (ADS)

    Kimmerle, Achim; Greulich, Johannes; Haug, Halvard; Wolf, Andreas

    2016-01-01

    In this work, the recently proposed band-gap narrowing model by Yan and Cuevas [J. Appl. Phys. 114, 044508 (2013)] is evaluated by simulations of the recombination pre-factor J0 of highly phosphorus doped, passivated crystalline silicon surfaces, which are particularly relevant for solar cell applications. The results were fitted to experimental J0 data measured on a large range of samples exhibiting different dopant profiles and passivation coatings, both for planar and textured surfaces. For each sample, the surface recombination velocity parameter Sp was extracted by fitting the simulation results to the experimental data. We show that the Yan and Cuevas' model developed for Fermi-Dirac statistics leads to a smooth and monotonically increasing curve for Sp as a function of the surface dopant concentration Nsurf, for both investigated passivation layers. We provide a parameterization for this relation and compare the findings with those obtained with the widely used model by Schenk [J. Appl. Phys. 84, 3684 (1998)]. On the other hand, we show that the apparent band gap narrowing of Yan and Cuevas developed for use with Boltzmann statistics cannot be used to describe the experimental data, requiring unphysical negative Sp values for high Nsurf.

  7. Predicting band structure of 3D mechanical metamaterials with complex geometry via XFEM

    NASA Astrophysics Data System (ADS)

    Zhao, Jifeng; Li, Ying; Liu, Wing Kam

    2015-04-01

    Band structure characterizes the most important property of mechanical metamaterials. However, predicting the band structure of 3D metamaterials with complex microstructures through direct numerical simulation (DNS) is computationally inefficient due to the complexity of meshing. To overcome this issue, an extended finite element method (XFEM)-based method is developed to predict 3D metamaterial band structures. Since the microstructure and material interface are implicitly resolved by the level-set function embedded in the XFEM formulation, a non-conforming (such as uniform) mesh is used in the proposed method to avoid the difficulties in meshing complex geometries. The accuracy and mesh convergence of the proposed method have been validated and verified by studying the band structure of a spherical particle embedded in a cube and comparing the results with DNS. The band structures of 3D metamaterials with different microstructures have been studied using the proposed method with the same finite element mesh, indicating the flexibility of this method. This XFEM-based method opens new opportunities in design and optimization of mechanical metamaterials with target functions, e.g. location and width of the band gap, by eliminating the iterative procedure of re-building and re-meshing microstructures that is required by classical DNS type of methods.

  8. Electron Microscopy and X-Ray Diffraction Evidence for Two Z-Band Structural States

    PubMed Central

    Perz-Edwards, Robert J.; Reedy, Michael K.

    2011-01-01

    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 Ca2+ in the presence of force inhibitors suggested that the interconversion of Z-band forms was correlated with tropomyosin movement on actin. PMID:21806939

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

    SciTech Connect

    Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan

    2015-01-21

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

  10. An open-structure sound insulator against low-frequency and wide-band acoustic waves

    NASA Astrophysics Data System (ADS)

    Chen, Zhe; Fan, Li; Zhang, Shu-yi; Zhang, Hui; Li, Xiao-juan; Ding, Jin

    2015-10-01

    To block sound, i.e., the vibration of air, most insulators are based on sealed structures and prevent the flow of the air. In this research, an acoustic metamaterial adopting side structures, loops, and labyrinths, arranged along a main tube, is presented. By combining the accurately designed side structures, an extremely wide forbidden band with a low cut-off frequency of 80 Hz is produced, which demonstrates a powerful low-frequency and wide-band sound insulation ability. Moreover, by virtue of the bypass arrangement, the metamaterial is based on an open structure, and thus air flow is allowed while acoustic waves can be insulated.

  11. Assessing Surface Textural Variations on the Piton de la Fournaise Volcano Using L-Band Insar and LIDAR Fusion Study

    NASA Astrophysics Data System (ADS)

    Sedze, M.; Heggy, E.; Jacquemoud, S.; Bretar, F.

    2010-12-01

    Interferometric Synthetic Aperture Radar (InSAR) is a powerful tool to monitor deformation in active volcanoes, such as the Piton de La Fournaise (Reunion Island, France). However vegetation and pyrochlast covers could constrain the L-band InSAR coherence and then the reliability for measurement of pre-eruptive surface displacements. To correct this deficiency, we combine normalized airborne LiDAR intensity data with spaceborne InSAR coherence images from ALOS PALSAR L-band acquired over the Piton de la Fournaise in 2008 and 2009, just after the 2007 major eruption. The fusion of the two data sets improves the calculation of coherence and the textural classification of different pyrochlastic and lava flows. For the DESDynI (Deformation, Ecosystem Structure and Dynamics of Ice) mission, such data fusion studies can provide a better analysis of the spatiotemporal variations in InSAR coherence in order to enhance the monitoring of pre-eruptive ground displacements. The LiDAR intensity data are used to improve the accuracy of InSAR-derived estimates of surface elevation and roughness, especially in vegetated areas. The airborne campaigns carried out on overlapping areas of the Piton de la Fournaise cover different types of vegetation and terrain roughness on the central and western part of the volcano. The LiDAR data are first processed to generate an accurate and high-resolution digital terrain model of the volcanic edifice so as to characterize its surface features and to analyze morphological variations during this two-year period. Then normalized LiDAR intensity images are computed and compared to coherence L-band InSAR images for different zones of the volcano to assess the Lidar-inSAR statistical behavior of different lava flows, pyrochlastics, and vegetated surfaces. Empirical models that use normalized LiDAR intensity to correct L-band polarimetric coherence for vegetated surfaces are finally tested. Preliminary results suggest that different A'A and Pahoehoe lava flows have a unique LiDAR-InSAR intensity-coherence function, which remains unchanged even in the case of moderate vegetation cover. Moreover ashes, cinders and spatter cones show a well-distinguished intensity-coherence function for vegetated and bare terrains.

  12. New lifetime estimates for d-band holes at noble metal surfaces

    NASA Astrophysics Data System (ADS)

    Matzdorf, R.; Gerlach, A.; Theilmann, F.; Meister, G.; Goldmann, A.

    Recent time-resolved two-photon photoemission results reported by various groups indicate that the population and decay of hot electrons at copper surfaces reflect a very complex excitation sequence [H. Petek, S. Ogawa: Prog. Surf. Sci. 56, 239 (1997)]. One of several attempts to give an at least qualitative interpretation requires a delayed electron generation via Auger decay of d-band holes [E. Knoesel, A. Hotzel, M. Wolf: Phys. Rev. B 57, 12812 (1998)]. We present experimental evidence from the analysis of line widths in high-resolution one-photon photoemission spectra, that indeed d-holes in Cu, Ag and Au exhibit systematically longer lifetimes than excited s,p-band electrons of the corresponding excitation energy.

  13. Conformal coating of highly structured surfaces

    DOEpatents

    Ginley, David S.; Perkins, John; Berry, Joseph; Gennett, Thomas

    2012-12-11

    Method of applying a conformal coating to a highly structured substrate and devices made by the disclosed methods are disclosed. An example method includes the deposition of a substantially contiguous layer of a material upon a highly structured surface within a deposition process chamber. The highly structured surface may be associated with a substrate or another layer deposited on a substrate. The method includes depositing a material having an amorphous structure on the highly structured surface at a deposition pressure of equal to or less than about 3 mTorr. The method may also include removing a portion of the amorphous material deposited on selected surfaces and depositing additional amorphous material on the highly structured surface.

  14. Crystallographic structure and functional interpretation of the cytoplasmic domain of erythrocyte membrane band 3.

    PubMed

    Zhang, D; Kiyatkin, A; Bolin, J T; Low, P S

    2000-11-01

    The red blood cell membrane (RBCM) is a primary model for animal cell plasma membranes. One of its major organizing centers is the cytoplasmic domain of band 3 (cdb3), which links multiple proteins to the membrane. Included among its peripheral protein ligands are ankyrin (the major bridge to the spectrin-actin skeleton), protein 4. 1, protein 4.2, aldolase, glyceraldehyde-3-phosphate dehydrogenase, phosphofructokinase, deoxyhemoglobin, p72syk protein tyrosine kinase, and hemichromes. The crystal structure of cdb3 is reported at 0.26 nm (2.6 A) resolution. A tight symmetric dimer is formed by cdb3; it is stabilized by interlocked dimerization arms contributed by both monomers. Each subunit also includes a larger peripheral protein binding domain with an alpha(+) beta-fold. The binding sites of several peripheral proteins are localized in the structure, and the nature of the major conformational change that regulates membrane-skeletal interactions is evaluated. An improved structural definition of the protein network at the inner surface of the RBCM is now possible. PMID:11049968

  15. First identification of rotational band structures in 91 75 166Re

    NASA Astrophysics Data System (ADS)

    Li, H. J.; Doncel, M.; Patial, M.; Cederwall, B.; Bäck, T.; Jakobsson, U.; Auranen, K.; Bönig, S.; Drummond, M.; Grahn, T.; Greenlees, P.; HerzáÅ, A.; Joss, D. T.; Julin, R.; Juutinen, S.; Konki, J.; Kröll, T.; Leino, M.; McPeake, C.; O'Donnell, D.; Page, R. D.; Pakarinen, J.; Partanen, J.; Peura, P.; Rahkila, P.; Ruotsalainen, P.; Sandzelius, M.; Sarén, J.; Sayǧı, B.; Scholey, C.; Sorri, J.; Stolze, S.; Taylor, M. J.; Thornthwaite, A.; Uusitalo, J.; Xiao, Z. G.

    2015-07-01

    Excited states in the odd-odd, highly neutron-deficient nucleus 166Re have been investigated via the 92Mo(78Kr,3 p 1 n )166Re reaction. Prompt γ rays were detected by the JUROGAM II γ -ray spectrometer, and the recoiling fusion-evaporation products were separated by the recoil ion transport unit (RITU) gas-filled recoil separator and implanted into the Gamma Recoil Electron Alpha Tagging spectrometer located at the RITU focal plane. The tagging and coincidence techniques were applied to identify the γ -ray transitions in 166Re, revealing two collective, strongly coupled rotational structures, for the first time. The more strongly populated band structure is assigned to the π h11 /2[514 ] 9 /2-⊗ν i13 /2[660 ] 1 /2+ Nilsson configuration, while the weaker structure is assigned to be built on a two-quasiparticle state of mixed π h11 /2[514 ] 9 /2-⊗ν [h9 /2f7 /2] 3 /2- character. The configuration assignments are based on the electromagnetic characteristics and rotational properties, in comparison with predictions from total Routhian surface and particle-rotor model calculations.

  16. Band bending and photoemission-induced surface photovoltages on clean n- and p-GaN (0001) surfaces

    NASA Astrophysics Data System (ADS)

    Long, J. P.; Bermudez, V. M.

    2002-09-01

    Photoelectron spectroscopy (PES) has been used to measure the dependence of core-level shifts on temperature T and source intensity for the clean (0001) surfaces of p- and n-GaN grown by metalorganic chemical vapor deposition. In the dark, the Fermi level at the surface occurs 2.55 eV above the valence band maximum for both carrier types. The surface photovoltage (SPV) induced by laboratory PES sources exceeds 1 eV on p-GaN at room temperature (RT). Hence PES at RT may prove impractical for determining Schottky barrier heights for optically thin metal films on p-GaN. The source-induced SPV falls rapidly with increasing T, persisting only to ~150 °C with a standard ultraviolet PES source. This strong T dependence cannot be explained quantitatively by standard SPV models. Band bending is relatively immune to pyroelectric and piezoelectric polarization but is sensitive to chemisorbed oxygen; thermal conversion of the chemisorbed layer to an ``oxide'' reduces the effect of the contaminant.

  17. Density Banding in Coral Skeletons: A Biotic Response to Sea Surface Temperature?

    NASA Astrophysics Data System (ADS)

    Hill, C. A.; Oehlert, A. M.; Piggot, A. M.; Yau, P. M.; Fouke, B. W.

    2008-12-01

    Density bands in the CaCO3 (aragonite) skeleton of scleractinian corals are commonly used as chronometers, where crystalline couplets of high and low density bands represent the span of one year. This provides a sensitive reconstructive tool for paleothermometry, paleoclimatology and paleoecology. However, the detailed mechanisms controlling aragonite nucleation and crystallization events and the rate of skeletal growth remain uncertain. The organic matrix, composed of macromolecules secreted by the calicoblastic ectoderm, is closely associated with skeletal precipitation and is itself incorporated into the skeleton. We postulate that density banding is primarily controlled by changes in the rate of aragonite crystal precipitation mediated by the coral holobiont response to changes in sea surface temperature (SST). To test this hypothesis, data were collected from coral skeleton-tissue biopsies (2.5 cm in diameter) extracted from four species of Montastraea growing on the fringing reef tract of Curacao, Netherlands Antilles (annual mean variation in SST is 29° C in mid-September to 26° C in late February). Samples were collected in the following three contextual modes: 1) at two sites (Water Plant and Playa Kalki) along a lateral 25 km spatial transect; 2) across a vertical bathymetric gradient from 5 to 15 m water depth at each site; and 3) at strategic time periods spanning the 3° C annual variations in SST. Preliminary results indicate that skeletal density banding is also expressed in the organic matrix, permitting biochemical characterization and correlation of the organic matrix banding to the skeletal banding. In addition, both surficial and ectodermal mucins were characterized in terms of total protein content, abundance and location of their anionic, cationic, and neutral macromolecular constituents. Furthermore, the ratio of mucocytes in the oral ectoderm to gastrodermal symbiotic zooxanthellae has permitted estimates of seasonal carbon allocation by the coral holobiont. Our nanometer-scale optical analyses of crystal morphology, arrangement, and densities have revealed consistent changes between high and low skeletal density bands. Mass spectrometry, newly developed immunohistochemical staining, fluorescence and polarized light microscopy are in progress to further quantify and model these observations.

  18. Promoting Photochemical Water Oxidation with Metallic Band Structures.

    PubMed

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

    2016-02-10

    The development of economic water oxidation catalysts is a key step toward large-scale water splitting. However, their current exploration remains empirical to a large extent. Elucidating the correlations between electronic properties and catalytic activity is crucial for deriving general and straightforward catalyst design principles. Herein, strongly correlated electronic systems with abundant and easily tunable electronic properties, namely La1-xSrxBO3 perovskites and La2-xSrxBO4 layered perovskites (B = Fe, Co, Ni, or Mn), were employed as model systems to identify favorable electronic structures for water oxidation. We established a direct correlation between the enhancement of catalytic activity and the insulator to metal transition through tuning the electronic properties of the target perovskite families via the La(3+)/Sr(2+) ratio. Their improved photochemical water oxidation performance was clearly linked to the increasingly metallic character. These electronic structure-activity relations provide a promising guideline for constructing efficient water oxidation catalysts. PMID:26771537

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

    NASA Astrophysics Data System (ADS)

    Maiz, F.

    2014-10-01

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

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

    NASA Astrophysics Data System (ADS)

    Hsu, Feng-Chia; Hsu, Jin-Chen; Huang, Tsun-Che; Wang, Chin-Hung; Chang, Pin

    2011-09-01

    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.

  1. The optical band gap and surface free energy of polyethylene modified by electron beam irradiations

    NASA Astrophysics Data System (ADS)

    Abdul-Kader, A. M.

    2013-04-01

    In this study, investigations have been carried out on electron beam irradiated ultra high molecular weight polyethylene (UHMWPE). Polyethylene samples were irradiated with 1.5 MeV electron beam at doses ranging from 50 to 500 kGy. Modifications in optical properties and photoluminescence behavior of the polymer were evaluated by UV-vis and photoluminescence techniques. Changes of surface layer composition of UHMWPE produced by electron irradiations were studied by Rutherford back scattering spectrometry (RBS). The change in wettability and surface free energy induced by irradiations was also investigated. The optical absorption studies reveal that both optical band gap and Urbach's energy decreases with increasing electron dose. A correlation between energy gap and the number of carbon atoms in clusters is discussed. Photoluminescence spectra were reveal remarkable decrease in the integrated luminescence intensity with increasing irradiation dose. Contact angle measurements showed that wettability and surface free energy increases with increasing the irradiation dose.

  2. Broad band and absolute measurement of transient dynamic normal velocity of surface

    NASA Astrophysics Data System (ADS)

    Kim, Byoung-Geuk; Enoki, Manabu; Kishi, Teruo

    1998-02-01

    Broad band direct sensing of the transient dynamic normal velocity of an object surface and evaluating its absolute value were realized by using a sensor fabricated with a piezoelectric polyvinylidene fluoride film and a polyvinyl chloride (PVC) back load and a PVC wear plate. The transient output signal from the sensor obtained by a test employing a well-defined steplike force, at the epicenter of a steel plate, showed very good agreement with the dynamic normal velocity calculated by using a Green's function and a simulated source function. The output was proportional to the dynamic normal velocity of the surface, and the frequency-dependent sensitivity for the velocity was flat within a deviation of ±3.8 dB for the average in the frequency range up to 2 MHz. The transient dynamic normal velocity of the surface could be absolutely determined by using a sensor calibrated by theoretical one.

  3. Numerical investigation of a microwave-band surface plasmon excited on an overdense plasma cylinder

    NASA Astrophysics Data System (ADS)

    Zhang, Lin; Ouyang, Ji-Ting

    2016-05-01

    The finite-difference time-domain (FDTD) method was employed to investigate the surface plasmon (SP) of the microwave band excited on an overdense plasma cylinder with various geometric scales. The extinction efficiency was calculated to determine the resonant frequency of the SP. A sequence of angular eigenmodes was observed via field distribution. The effect of plasma frequency and collision rate on the SP was also investigated. The results show that an SP on the cylinder surface can be treated as a standing wave pattern of two surface waves propagating in opposite directions. When the SP is formed around the plasma cylinder, the scatter field can be enhanced significantly. The solid plasma cylinder can be replaced by a hollow one without significant change of the SP’s features, as long as its layer width well exceeds the skin depth.

  4. Analysis of multi-band pyrometry for emissivity and temperature measurements of gray surfaces at ambient temperature

    NASA Astrophysics Data System (ADS)

    Araújo, António

    2016-05-01

    A multi-band pyrometry model is developed to evaluate the potential of measuring temperature and emissivity of assumably gray target surfaces at 300 K. Twelve wavelength bands between 2 and 60 μm are selected to define the spectral characteristics of the pyrometers. The pyrometers are surrounded by an enclosure with known background temperature. Multi-band pyrometry modeling results in an overdetermined system of equations, in which the solution for temperature and emissivity is obtained through an optimization procedure that minimizes the sum of the squared residuals of each system equation. The Monte Carlo technique is applied to estimate the uncertainties of temperature and emissivity, resulting from the propagation of the uncertainties of the pyrometers. Maximum reduction in temperature uncertainty is obtained from dual-band to tri-band systems, a small reduction is obtained from tri-band to quad-band, with a negligible reduction above quad-band systems (a reduction between 6.5% and 12.9% is obtained from dual-band to quad-band systems). However, increasing the number of bands does not always reduce uncertainty, and uncertainty reduction depends on the specific band arrangement, indicating the importance of choosing the most appropriate multi-band spectral arrangement if uncertainty is to be reduced. A reduction in emissivity uncertainty is achieved when the number of spectral bands is increased (a reduction between 6.3% and 12.1% is obtained from dual-band to penta-band systems). Besides, emissivity uncertainty increases for pyrometers with high wavelength spectral arrangements. Temperature and emissivity uncertainties are strongly dependent on the difference between target and background temperatures: uncertainties are low when the background temperature is far from the target temperature, tending to very high values as the background temperature approaches the target temperature.

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

    PubMed

    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 ([Formula: see text]) or high-energy synchrotron radiations ([Formula: see text]) 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 [Formula: see text] ([Formula: see text], [Formula: see text], and [Formula: see text]) and [Formula: see text] 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 [Formula: see text] compounds such as [Formula: see text], their electronic structures can be well-described by the band-structure calculation assuming that all [Formula: see text] electrons are itinerant. In contrast, the band structures of localized [Formula: see text] compounds such as [Formula: see text] and [Formula: see text] are essentially explained by the localized model that treats [Formula: see text] electrons as localized core states. In regards to heavy fermion [Formula: see text]-based compounds such as the hidden-order compound [Formula: see text], 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 E F show some deviations due to electron correlation effects. Furthermore, the electronic structures of [Formula: see text] in the paramagnetic and hidden-order phases are summarized based on various ARPES studies. The present status of the field as well as possible future directions are also discussed. PMID:26974712

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

    NASA Astrophysics Data System (ADS)

    Fujimori, Shin-ichi

    2016-04-01

    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~\\text{eV} ) or high-energy synchrotron radiations (hν ≳ 400~\\text{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 \\text{Ce}M\\text{I}{{\\text{n}}5} (M=\\text{Rh} , \\text{Ir} , and \\text{Co} ) and \\text{YbR}{{\\text{h}}2}\\text{S}{{\\text{i}}2} 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 \\text{U}~5f compounds such as \\text{UFeG}{{\\text{a}}5} , their electronic structures can be well-described by the band-structure calculation assuming that all \\text{U}~5f electrons are itinerant. In contrast, the band structures of localized \\text{U}~5f compounds such as \\text{UP}{{\\text{d}}3} and \\text{U}{{\\text{O}}2} are essentially explained by the localized model that treats \\text{U}~5f electrons as localized core states. In regards to heavy fermion \\text{U} -based compounds such as the hidden-order compound \\text{UR}{{\\text{u}}2}\\text{S}{{\\text{i}}2} , 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 E F show some deviations due to electron correlation effects. Furthermore, the electronic structures of \\text{UR}{{\\text{u}}2}\\text{S}{{\\text{i}}2} in the paramagnetic and hidden-order phases are summarized based on various ARPES studies. The present status of the field as well as possible future directions are also discussed.

  7. Photonic band gap characteristics of one-dimensional graphene-dielectric periodic structures

    NASA Astrophysics Data System (ADS)

    Al-sheqefi, F. U. Y.; Belhadj, W.

    2015-12-01

    In this paper, we study theoretically, the transmission properties of a one-dimensional graphene-dielectric periodic structure by using the transfer matrix method. Within the framework of this method, we confirm earlier finding that a periodic structure composed of a stack of monolayer graphene sheets separated by dielectric slabs, possesses photonic band-gap (PBG) properties and supports a series of bandpass and band-stop regions at low-terahertz frequencies. Our calculations showed that the suggested structure possesses in addition to the structural Bragg gaps, a new type of band gap that exhibits a rather versatile behavior with varying angle of incidence. We find this type of band gap is omnidirectional (omni-gap) for both transverse electric (TE) and transverse magnetic (TM) polarizations. Our results show that 1D graphene-dielectric periodic structures are very good candidates for band gap engineering. Specifically, we demonstrate the existence of a band gap region for both polarizations which survives for incident angles as high as 80°. Moreover, we show how our proposed structure can also function as a highly efficient polarization splitter. It is also found that the band gaps can be tuned by tuning the properties of the graphene via a gate voltage. In order to investigate difference between the omni-gap and Bragg PBG, we plot the electromagnetic field profiles for some critical frequencies. The proposed structure is promising and can work as a gate tunable perfect stop filter which completely blocks both polarizations, and may have many other potential applications.

  8. Evidence for water structuring forces between surfaces

    SciTech Connect

    Stanley, Christopher B; Rau, Dr. Donald

    2011-01-01

    Structured water on apposing surfaces can generate significant energies due to reorganization and displacement as the surfaces encounter each other. Force measurements on a multitude of biological structures using the osmotic stress technique have elucidated commonalities that point toward an underlying hydration force. In this review, the forces of two contrasting systems are considered in detail: highly charged DNA and nonpolar, uncharged hydroxypropyl cellulose. Conditions for both net repulsion and attraction, along with the measured exclusion of chemically different solutes from these macromolecular surfaces, are explored and demonstrate features consistent with a hydration force origin. Specifically, the observed interaction forces can be reduced to the effects of perturbing structured surface water.

  9. Band structure of silicene in the tight binding approximation

    SciTech Connect

    Gert, A. V. Nestoklon, M. O.; Yassievich, I. N.

    2015-07-15

    The electronic structure of silicene is simulated by the tight binding method with the basis sp{sup 3}d{sup 5}s*. The results are in good agreement with ab initio calculations. The effective Hamiltonian of silicene in the vicinity of the Dirac point is constructed by the method of invariants. Silicon atoms in silicene are located in two parallel planes displaced perpendicularly to each other by Δ{sub z}; the energy spectrum essentially depends on this displacement. Using the tight binding technique, the coefficients of the effective Hamiltonian are determined for various values of Δ{sub z}.

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

    PubMed

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

    2014-08-27

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

  11. Enhanced thermoelectric performance of La-doped BiCuSeO by tuning band structure

    NASA Astrophysics Data System (ADS)

    Liu, Yaochun; Ding, Jingxuan; Xu, Ben; Lan, Jinle; Zheng, Yuanhua; Zhan, Bin; Zhang, Boping; Lin, Yuanhua; Nan, Cewen

    2015-06-01

    Bi1-xLaxCuSeO ceramic bulks have been prepared by the spark plasma sintering method. Our results indicate that La-doping can lead to an obvious change of the band structure evidenced by the absorption spectra and electric transportation behaviors (e.g., m* and Seebeck coefficient). The variation of band structure results in a great enhancement of carrier mobility caused by a decreased energy offset between the primary and secondary valence bands. A maximum ZT value of 0.74 can be obtained in 8% La-doped BiCuSeO sample at 923 K, which is 37% higher than that of the pure BiCuSeO bulk. Our results reveal that band engineering is an effective way to enhance the thermoelectric properties of BiCuSeO system.

  12. Electronic- and band-structure evolution in low-doped (Ga,Mn)As

    SciTech Connect

    Yastrubchak, O.; Gluba, L.; Żuk, J.; Sadowski, J.; MAX-Lab, Lund University, 22100 Lund ; Krzyżanowska, H.; Department of Physics and Astronomy, Vanderbilt University, 6506 Stevenson Center, Nashville, Tennessee 37325 ; Domagala, J. Z.; Andrearczyk, T.; Wosinski, T.

    2013-08-07

    Modulation photoreflectance spectroscopy and Raman spectroscopy have been applied to study the electronic- and band-structure evolution in (Ga,Mn)As epitaxial layers with increasing Mn doping in the range of low Mn content, up to 1.2%. Structural and magnetic properties of the layers were characterized with high-resolution X-ray diffractometry and SQUID magnetometery, respectively. The revealed results of decrease in the band-gap-transition energy with increasing Mn content in very low-doped (Ga,Mn)As layers with n-type conductivity are interpreted as a result of merging the Mn-related impurity band with the host GaAs valence band. On the other hand, an increase in the band-gap-transition energy with increasing Mn content in (Ga,Mn)As layers with higher Mn content and p-type conductivity indicates the Moss-Burstein shift of the absorption edge due to the Fermi level location within the valence band, determined by the free-hole concentration. The experimental results are consistent with the valence-band origin of mobile holes mediating ferromagnetic ordering in the (Ga,Mn)As diluted ferromagnetic semiconductor.

  13. Surface orientation dependent band alignment for CuInSe2-ZnSe-ZnO

    NASA Astrophysics Data System (ADS)

    Hofmann, Andreas; Pettenkofer, Christian

    2011-03-01

    The interface formation and band-lineup between ZnO and epitaxial CuInSe2 substrates is investigated with photoelectron spectroscopy. ZnO films prepared by a metal-organic molecular beam epitaxy process lead to the formation of an intrinsic ZnSe buffer layer. The effect of substrate orientation on the band alignment is studied for the orientations (112) and (001). We found a weak dependence of the interfacial dipole on orientation. Together with our findings for CuInS2 films, we suggest a ubiquitous CuInX2-ZnX-ZnO (X=Se, S) structure with an ultra-thin ZnX buffer layer for ZnO growth on chalcopyrites at elevated temperatures.

  14. Two-zone heterogeneous structure within shear bands of a bulk metallic glass

    SciTech Connect

    Shao, Yang; Yao, Kefu; Liu, Xue; Li, Mo; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0245

    2013-10-21

    Shear bands, the main plastic strain carrier in metallic glasses, are severely deformed regions often considered as disordered and featureless. Here we report the observations of a sandwich-like heterogeneous structure inside shear bands in Pd{sub 40.5}Ni{sub 40.5}P{sub 19} metallic glass sample after plastic deformation by high-resolution transmission electron microscopy. The experimental results suggest a two-step plastic deformation mechanism with corresponding microstructure evolution at atomic scale, which may intimately connected to the stability of the shear band propagation and the overall plastic deformability.

  15. Measurement of the surface wavelength distribution of narrow-band radiation by a colorimetric method

    SciTech Connect

    Kraiskii, A V; Mironova, T V; Sultanov, T T

    2010-09-10

    A method is suggested for determining the wavelength of narrow-band light from a digital photograph of a radiating surface. The digital camera used should be appropriately calibrated. The accuracy of the wavelength measurement is better than 1 nm. The method was tested on the yellow doublet of mercury spectrum and on the adjacent continuum of the incandescent lamp radiation spectrum. By means of the method suggested the homogeneity of holographic sensor swelling was studied in stationary and transient cases. (laser applications and other topics in quantum electronics)

  16. Surface and Bulk Electronic Structure of Wurtzite GaN

    NASA Astrophysics Data System (ADS)

    Smith, Kevin E.

    1998-03-01

    The electronic structure of thin film wurtzite GaN and Al_xGa_1-xN has been studied using angle resolved photoemission, inverse photoemission, soft x-ray absorption and soft x-ray emission. These complimentary spectroscopies allow us to measure the partial density of states (PDOS) of the occupied and unoccupied valence states, and the band dispersion of occupied and unoccupied surface and bulk states. The GaN(0001) thin films used in our experiments were grown using molecular beam epitaxy on sapphire substrates, and were Si doped n-type. Soft x-ray absorption (SXA) and soft x-ray emission (SXE) measurements were performed at the HASYLAB synchrotron, Hamburg, and at the National Synchrotron Light Source (NSLS), Brookhaven National Laboratory. Angle resolved photoemission (ARP) and momentum resolved inverse photoemission (IP) spectra were performed at Brookhaven. Clean surfaces were prepared by repeated cycles of sputtering with N2 ions and annealing in ultra-high vacuum at 900 C. Low energy electron diffraction from the clean surface displays a sharp hexagonal pattern with no evidence of surface reconstruction. ARP measurements for GaN show bulk bands that agree well with theoretical predictions,(A. Rubio, J.L. Corkhill, M.L. Cohen, E.L. Shirley, and S.G. Louie, Phys. Rev. B 48, 11810, (1993)) but also show the existence of a well defined surface state.(S.S. Dhesi, C.B. Stagarescu, K.E. Smith, D. Doppalapudi, R. Singh and T.D. Moustakas, Phys. Rev. B 56, 10271 (1997)) This state is occupied, and lies below the valence band maximum in a projected bulk band gap. It has spz character, consistent with a dangling bond state, and is sensitive to contamination of the surface by O2 or H_2. IP spectroscopy was used to measure the dispersion of the unoccupied GaN conduction band states, and no unoccupied surface states were observed. SXE and SXA were used to measure the bulk valence and conduction band partial density of states and band gap behavior for GaN (C. Stagarescu, L.C. Duda, K.E. Smith, J.H. Guo, J. Nordgren, R. Singh and T.D. Moustakas, Phys. Rev. B 54, 17,335 (1996)) and Al_xGa_1-xN. Given the strong dipole selection rules that govern SXE, and the sensitivity of our spectrometer, we are able to directly observe the hybrid states in these nitrides. Specifically, we find a weak feature in the N K-emission at approximately 19.5 eV below the valence band maximum that arises from hybridization between N 2p and Ga 3d states. We also directly observe hybridization between Ga 4s- and N 2p-states extending to the valence band maximum. X-ray absorption spectra show that the bottom of the conduction band is a mixture of Ga 4s and N 2p states.

  17. Detailed structure of the outer disk around HD 169142 with polarized light in H-band

    NASA Astrophysics Data System (ADS)

    Momose, Munetake; Morita, Ayaka; Fukagawa, Misato; Muto, Takayuki; Takeuchi, Taku; Hashimoto, Jun; Honda, Mitsuhiko; Kudo, Tomoyuki; Okamoto, Yoshiko K.; Kanagawa, Kazuhiro D.; Tanaka, Hidekazu; Grady, Carol A.; Sitko, Michael L.; Akiyama, Eiji; Currie, Thayne; Follette, Katherine B.; Mayama, Satoshi; Kusakabe, Nobuhiko; Abe, Lyu; Brandner, Wolfgang; Brandt, Timothy D.; Carson, Joseph C.; Egner, Sebastian; Feldt, Markus; Goto, Miwa; Guyon, Olivier; Hayano, Yutaka; Hayashi, Masahiko; Hayashi, Saeko S.; Henning, Thomas; Hodapp, Klaus W.; Ishii, Miki; Iye, Masanori; Janson, Markus; Kandori, Ryo; Knapp, Gillian R.; Kuzuhara, Masayuki; Kwon, Jungmi; Matsuo, Taro; McElwain, Michael W.; Miyama, Shoken; Morino, Jun-Ichi; Moro-Martin, Amaya; Nishimura, Tetsuo; Pyo, Tae-Soo; Serabyn, Eugene; Suenaga, Takuya; Suto, Hiroshi; Suzuki, Ryuji; Takahashi, Yasuhiro H.; Takami, Michihiro; Takato, Naruhisa; Terada, Hiroshi; Thalmann, Christian; Tomono, Daigo; Turner, Edwin L.; Watanabe, Makoto; Wisniewski, John; Yamada, Toru; Takami, Hideki; Usuda, Tomonori; Tamura, Motohide

    2015-10-01

    Coronagraphic imagery of the circumstellar disk around HD 169142 in H-band polarized intensity (PI) with Subaru/HiCIAO is presented. The emission scattered by dust particles at the disk surface in 0{^''.}2 ≤ r ≤ 1{^''.}2, or 29 ≤ r ≤ 174 au, is successfully detected. The azimuthally averaged radial profile of the PI shows a double power-law distribution, in which the PIs in r = 29-52 au and r = 81.2-145 au respectively show r-3 dependence. These two power-law regions are connected smoothly with a transition zone (TZ), exhibiting an apparent gap in r = 40-70 au. The PI in the inner power-law region shows a deep minimum whose location seems to coincide with the point source at λ = 7 mm. This can be regarded as another sign of a protoplanet in the TZ. The observed radial profile of the PI is reproduced by a minimally flaring disk with an irregular surface density distribution, an irregular temperature distribution, or with a combination of both. The depletion factor of surface density in the inner power-law region (r < 50 au) is derived to be ≥ 0.16 from a simple model calculation. The obtained PI image also shows small-scale asymmetries in the outer power-law region. Possible origins for these asymmetries include corrugation of the scattering surface in the outer region, and a shadowing effect by a puffed-up structure in the inner power-law region.

  18. Nitrogen δ-doping for band engineering of GaAs-related quantum structures

    NASA Astrophysics Data System (ADS)

    Ishikawa, Fumitaro; Furuse, Shinichiro; Sumiya, Kengo; Kinoshita, Akihiro; Morifuji, Masato

    2012-03-01

    We study energy-band engineering with nitrogen delta (δ)-doping in GaAs-related quantum structures. A tight-binding calculation indicates that the band structure can be engineered by introducing the one-dimensional doping profile of nitrogen into GaAs. Using molecular beam epitaxy, we prepare δ-doped samples of AlGaAs/GaAs quantum wells and GaAs/δ-doped nitrogen superlattice structures at the growth temperature 560 °C. Photoluminescence obtained from the samples shows a clear redshift of the spectral peak positions dependent on the nitrogen coverage. The transition energies of the superlattice structures agree well with those obtained from photoreflectance, indicating the feasibility of band modification with a single or a multiple nitrogen δ-doped layer.

  19. Inertial amplification of continuous structures: Large band gaps from small masses

    NASA Astrophysics Data System (ADS)

    Frandsen, Niels M. M.; Bilal, Osama R.; Jensen, Jakob S.; Hussein, Mahmoud I.

    2016-03-01

    We investigate wave motion in a continuous elastic rod with a periodically attached inertial-amplification mechanism. The mechanism has properties similar to an "inerter" typically used in vehicle suspensions, however here it is constructed and utilized in a manner that alters the intrinsic properties of a continuous structure. The elastodynamic band structure of the hybrid rod-mechanism structure yields band gaps that are exceedingly wide and deep when compared to what can be obtained using standard local resonators, while still being low in frequency. With this concept, a large band gap may be realized with as much as twenty times less added mass compared to what is needed in a standard local resonator configuration. The emerging inertially enhanced continuous structure also exhibits unique qualitative features in its dispersion curves. These include the existence of a characteristic double-peak in the attenuation constant profile within gaps and the possibility of coalescence of two neighbouring gaps creating a large contiguous gap.

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  1. Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment

    SciTech Connect

    Caro, Miguel A.; Määttä, Jukka; Lopez-Acevedo, Olga; Laurila, Tomi

    2015-01-21

    In this paper, we obtain the energy band positions of amorphous carbon (a–C) surfaces in vacuum and in aqueous environment. The calculations are performed using a combination of (i) classical molecular dynamics (MD), (ii) Kohn-Sham density functional theory with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional, and (iii) the screened-exchange hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE). PBE allows an accurate generation of a-C and the evaluation of the local electrostatic potential in the a-C/water system, HSE yields an improved description of energetic positions which is critical in this case, and classical MD enables a computationally affordable description of water. Our explicit calculation shows that, both in vacuo and in aqueous environment, the a-C electronic states available in the region comprised between the H{sub 2}/H{sub 2}O and O{sub 2}/H{sub 2}O levels of water correspond to both occupied and unoccupied states within the a-C pseudogap region. These are localized states associated to sp{sup 2} sites in a-C. The band realignment induces a shift of approximately 300 meV of the a-C energy band positions with respect to the redox levels of water.

  2. Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment

    NASA Astrophysics Data System (ADS)

    Caro, Miguel A.; Määttä, Jukka; Lopez-Acevedo, Olga; Laurila, Tomi

    2015-01-01

    In this paper, we obtain the energy band positions of amorphous carbon (a-C) surfaces in vacuum and in aqueous environment. The calculations are performed using a combination of (i) classical molecular dynamics (MD), (ii) Kohn-Sham density functional theory with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional, and (iii) the screened-exchange hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE). PBE allows an accurate generation of a-C and the evaluation of the local electrostatic potential in the a-C/water system, HSE yields an improved description of energetic positions which is critical in this case, and classical MD enables a computationally affordable description of water. Our explicit calculation shows that, both in vacuo and in aqueous environment, the a-C electronic states available in the region comprised between the H2/H2O and O2/H2O levels of water correspond to both occupied and unoccupied states within the a-C pseudogap region. These are localized states associated to sp2 sites in a-C. The band realignment induces a shift of approximately 300 meV of the a-C energy band positions with respect to the redox levels of water.

  3. An algorithm to retrieve land surface temperature from ASTER thermal band data for agricultural drought monitoring

    NASA Astrophysics Data System (ADS)

    Qin, Zhihao; Li, Wenjuan; Gao, Maofang; Zhang, Hong'ou

    2006-09-01

    High spatial resolution ASTER data have 5 thermal bands, of which band 13 and 14 are especially suitable for land surface temperature (LST) estimation. Generally, LST retrieval from two thermal bands is done through so-called split window technique. In the past two decades above 17 split window algorithms have been proposed. However, such algorithm for ASTER data has not been reported, probably due to the new availability of the data for environmental application. In the study, a new split window algorithm has been developed for LST retrieval from ASTER data. Our algorithm only involves two essential parameters for LST retrieval while keeping the same accuracy as those having more parameters. Detailed derivation of the split window algorithm has been given in the paper, which including formulation of thermal radiation transfer equation, determination of algorithm constants, and estimation of the essential parameters. Comparison of our algorithm with the existing ones for validation of its accuracy and applicability in the real world indicates that our algorithm has an average root mean square (RMS) error of 0.67°C when transmittance has an error of 0.05 and emissivity has an error of 0.01. Thus we can conclude that our algorithm is a very good alternative for accurate LST retrieval from ASTER data. Application of the algorithm to Wuxi-Suchou region in Yangtze River Delta produces a very reseasonable LST image of the region, hence confirms the applicability of the algorithm.

  4. The electronic structures of vanadate salts: Cation substitution as a tool for band gap manipulation

    NASA Astrophysics Data System (ADS)

    Dolgos, Michelle R.; Paraskos, Alexandra M.; Stoltzfus, Matthew W.; Yarnell, Samantha C.; Woodward, Patrick M.

    2009-07-01

    The electronic structures of six ternary metal oxides containing isolated vanadate ions, Ba 3(VO 4) 2, Pb 3(VO 4) 2, YVO 4, BiVO 4, CeVO 4 and Ag 3VO 4 were studied using diffuse reflectance spectroscopy and electronic structure calculations. While the electronic structure near the Fermi level originates largely from the molecular orbitals of the vanadate ion, both experiment and theory show that the cation can strongly influence these electronic states. The observation that Ba 3(VO 4) 2 and YVO 4 have similar band gaps, both 3.8 eV, shows that cations with a noble gas configuration have little impact on the electronic structure. Band structure calculations support this hypothesis. In Pb 3(VO 4) 2 and BiVO 4 the band gap is reduced by 0.9-1.0 eV through interactions of (a) the filled cation 6 s orbitals with nonbonding O 2 p states at the top of the valence band, and (b) overlap of empty 6 p orbitals with antibonding V 3 d-O 2 p states at the bottom of the conduction band. In Ag 3VO 4 mixing between filled Ag 4 d and O 2 p states destabilizes states at the top of the valence band leading to a large decrease in the band gap ( Eg=2.2 eV). In CeVO 4 excitations from partially filled 4 f orbitals into the conduction band lower the effective band gap to 1.8 eV. In the Ce 1-xBi xVO 4 (0≤ x≤0.5) and Ce 1-xY xVO 4 ( x=0.1, 0.2) solid solutions the band gap narrows slightly when Bi 3+ or Y 3+ are introduced. The nonlinear response of the band gap to changes in composition is a result of the localized nature of the Ce 4 f orbitals.

  5. Band structure and dispersion engineering of strongly coupled plasmon-phonon-polaritons in graphene-integrated structures.

    PubMed

    Liu, Feng; Zhan, Tianrong; Zhu, Alexander Y; Yi, Fei; Shi, Wangzhou

    2016-01-25

    We theoretically investigate the polaritonic band structure and dispersion properties of graphene using transfer matrix methods, with strongly coupled graphene plasmons (GPs) and molecular infrared vibrations as a representative example. Two common geometrical configurations are considered: graphene coupled subwavelength dielectric grating (GSWDG) and graphene nanoribbons (GNR). By exploiting the dispersion and the band structure, we show the possibility of tailoring desired polaritonic behavior in each of the two configurations. We compare the strength of coupling occurring in both structures and find that the interaction is stronger in GNR than that of GSWDG structure as a result of the stronger field confinement of the edge modes. The band structure and dispersion analysis not only sheds light on the physics of the hybridized polariton formation but also offers insight into tailoring the optical response of graphene light-matter interactions for numerous applications, such as biomolecular sensing and detection. PMID:26832528

  6. International X-Band Linear Collider Accelerator Structure R&D

    SciTech Connect

    Wang, J.W.; /SLAC

    2009-03-04

    For more than fifteen years before the International Technology Recommendation Panel (ITRP) decision in August, 2004, there were intensive R&D activities and broad international collaboration among the groups at SLAC, KEK, FNAL, LLNL and other labs for the room temperature X-Band accelerator structures. The goal was to provide an optimized design of the main linac structure for the NLC (Next Linear Collider) or GLC (Global Linear Collider). There have been two major challenges in developing X-band accelerator structures for the linear colliders. The first is to demonstrate stable, long-term operation at the high gradient (65 MV/m) that is required to optimize the machine cost. The second is to strongly suppress the beam induced long-range wakefields, which is required to achieve high luminosity. More than thirty X-band accelerator structures with various RF parameters, cavity shapes and coupler types have been fabricated and tested since 1989. A summary of the main achievements and experiences are presented in this talk including the structure design, manufacturing techniques, high power performance, and other structure related issues. Also, the new progress in collaborating with the CLIC, high gradient structures and X-Band structure applications for RF deflectors and others are briefly introduced.

  7. Estimation of Bare Surface Soil Moisture and Surface Roughness Parameter Using L-Band SAR Image Data

    NASA Technical Reports Server (NTRS)

    Shi, Jian-Cheng; Wang, James; Hsu, Ann Y.; ONeill, Peggy E.; Engman, Edwin T.

    1997-01-01

    An algorithm based on a fit of the single-scattering Integral Equation Method (IEM) was developed to provide estimation of soil moisture and surface roughness parameter (a combination of rms roughness height and surface power spectrum) from quad-polarized synthetic aperture radar (SAR) measurements. This algorithm was applied to a series of measurements acquired at L-band (1.25 GHz) from both AIRSAR (Airborne Synthetic Aperture Radar operated by the Jet Propulsion Laboratory) and SIR-C (Spaceborne Imaging Radar-C) over a well- managed watershed in southwest Oklahoma. Prior to its application for soil moisture inversion, a good agreement was found between the single-scattering IEM simulations and the L band measurements of SIR-C and AIRSAR over a wide range of soil moisture and surface roughness conditions. The sensitivity of soil moisture variation to the co-polarized signals were then examined under the consideration of the calibration accuracy of various components of SAR measurements. It was found that the two co-polarized backscattering coefficients and their combinations would provide the best input to the algorithm for estimation of soil moisture and roughness parameter. Application of the inversion algorithm to the co-polarized measurements of both AIRSAR and SIR-C resulted in estimated values of soil moisture and roughness parameter for bare and short-vegetated fields that compared favorably with those sampled on the ground. The root-mean-square (rms) errors of the comparison were found to be 3.4% and 1.9 dB for soil moisture and surface roughness parameter, respectively.

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

    NASA Astrophysics Data System (ADS)

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

    2004-08-01

    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 \\mathbf {k}\\bdot \\mathbf {p} 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.

  9. Near surface flow structure over a dimpled surface with blowing

    NASA Astrophysics Data System (ADS)

    Borchetta, Colby; Martin, Alexandre; Bailey, Sean

    2015-11-01

    The combined effects of surface roughness with flow injection are of particular interest in understanding the flow over ablative heat-shields, a common form of thermal protection system (TPS) used for atmospheric entry. Stereoscopic, time-resolved particle image velocimetry was used to investigate the near-surface flow over a surface geometry consisting of hexagonal dimples, typical of a TPS. Of particular interest are the modifications made to the flow structures generated by the dimpled elements caused by flow injection through the surface. Without flow injection, inclined flow structures are generated periodically at the upstream edge of the dimples and convected downstream. This behavior is coupled with fluid becoming entrained inside the dimples, recirculating and ejecting away from the surface. When flow injection occurs through the surface, this process occupies a larger region of the flow, extending further from the surface, with a corresponding increase in the size of the convecting structures and increase in turbulent kinetic energy. These features persist over the range of Reynolds numbers investigated, with increasing Reynolds number resulting in increased turbulence and a corresponding broadening of the region of the flow influenced by the surface. This research is supported by NASA Award NNX13AN04A.

  10. Structure and functions of fungal cell surfaces

    NASA Technical Reports Server (NTRS)

    Nozawa, Y.

    1984-01-01

    A review with 24 references on the biochemistry, molecular structure, and function of cell surfaces of fungi, especially dermatophytes: the chemistry and structure of the cell wall, the effect of polyene antibiotics on the morphology and function of cytoplasmic membranes, and the chemical structure and function of pigments produced by various fungi are discussed.

  11. Electronic band structure of CuBa 2Ca 3Cu 4O 10+ x(x=0, 1)

    NASA Astrophysics Data System (ADS)

    Hamada, Noriaki; Ihara, Hideo

    2000-07-01

    Electronic band structures of Cu1234O 10 and Cu1234O 11 are calculated by using a full-potential linearized APW method in the local density approximation. Four CuO 2 planes produce four large Fermi surfaces: Two Fermi surfaces are two-dimensional, while the others have a three-dimensional character. The former surfaces are produced by the inner CuO 2 planes of the superconducting layer, and are responsible for the high-temperature superconductivity. The latter surfaces come from the outer CuO 2 planes, and provide the three-dimensional properties in the superconducting state and the normal state. Oxygen doping adds a small amount of holes to only the outer CuO 2 planes, indicating the stable superconducting phase independent of the oxygen content.

  12. H-tailored surface conductivity in narrow band gap In(AsN)

    SciTech Connect

    Velichko, A. V. E-mail: anton.velychko@nottingham.ac.uk; Patanè, A. E-mail: anton.velychko@nottingham.ac.uk; Makarovsky, O.; Capizzi, M.; Polimeni, A.; Sandall, I. C.; Tan, C. H.; Giubertoni, D.; Krier, A.; Zhuang, Q.

    2015-01-12

    We show that the n-type conductivity of the narrow band gap In(AsN) alloy can be increased within a thin (∼100 nm) channel below the surface by the controlled incorporation of H-atoms. This channel has a large electron sheet density of ∼10{sup 18 }m{sup −2} and a high electron mobility (μ > 0.1 m{sup 2}V{sup −1}s{sup −1} at low and room temperature). For a fixed dose of impinging H-atoms, its width decreases with the increase in concentration of N-atoms that act as H-traps thus forming N-H donor complexes near the surface.

  13. Electron emission from conduction band of heavily phosphorus doped diamond negative electron affinity surface

    NASA Astrophysics Data System (ADS)

    Yamada, Takatoshi; Masuzawa, Tomoaki; Mimura, Hidenori; Okano, Ken

    2016-02-01

    Hydrogen (H)-terminated surfaces of diamond have attracted significant attention due to their negative electron affinity (NEA), suggesting high-efficiency electron emitters. Combined with n-type doping technique using phosphorus (P) as donors, the unique NEA surface makes diamond a promising candidate for vacuum cold-cathode applications. However, high-electric fields are needed for the electron emission from the n-type doped diamond with NEA. Here we have clarified the electron emission mechanism of field emission from P-doped diamond having NEA utilizing combined ultraviolet photoelectron spectroscopy/field emission spectroscopy (UPS/FES). An UP spectrum has confirmed the NEA of H-terminated (1 1 1) surface of P-doped diamond. Despite the NEA, electron emission occurs only when electric field at the surface exceeds 4.2  ×  106 V cm-1. Further analysis by UPS/FES has revealed that the emitted energy level is shifted, indicating that the electron emission mechanism of n-type diamond having NEA surface does not follow a standard field emission theory, but is dominated by potential barrier formed within the diamond due to upward band bending. The reduction of internal barrier is the key to achieve high-efficiency electron emitters using P-doped diamond with NEA, of which application ranges from high-resolution electron spectroscopy to novel vacuum nanoelectronics devices.

  14. L-Band Brightness Temperature Variations at Dome C and Snow Metamorphism at the Surface

    NASA Technical Reports Server (NTRS)

    Brucker, Ludovic; Dinnat, Emmanuel; Picard, Ghislain; Champollion, Nicolas

    2014-01-01

    The Antarctic Plateau is a promising site to monitor microwave radiometers' drift, and to inter-calibrate microwave radiometers, especially 1.4 GigaHertz (L-band) radiometers on board the Soil Moisture and Ocean Salinity (SMOS), and AquariusSAC-D missions. The Plateau is a thick ice cover, thermally stable in depth, with large dimensions, and relatively low heterogeneities. In addition, its high latitude location in the Southern Hemisphere enables frequent observations by polar-orbiting satellites, and no contaminations by radio frequency interference. At Dome C (75S, 123E), on the Antarctic Plateau, the substantial amount of in-situ snow measurements available allows us to interpret variations in space-borne microwave brightness temperature (TB) (e.g. Macelloni et al., 2007, 2013, Brucker et al., 2011, Champollion et al., 2013). However, to analyze the observations from the Aquarius radiometers, whose sensitivity is 0.15 K, the stability of the snow layers near the surface that are most susceptible to rapidly change needs to be precisely assessed. This study focuses on the spatial and temporal variations of the Aquarius TB over the Antarctic Plateau, and at Dome C in particular, to highlight the impact of snow surface metamorphism on the TB observations at L-band.

  15. Effect of clustering on the surface plasmon band in thin films of metallic nanoparticles

    NASA Astrophysics Data System (ADS)

    Pereira, Rui M. S.; Borges, Joel; Peres, Filipa C. R.; Pereira, Paulo A. S.; Smirnov, Georgi V.; Vaz, Filipe; Cavaleiro, Albano; Vasilevskiy, Mikhail I.

    2015-01-01

    We theoretically investigate the optical response of ensembles of polarizable metallic nanoparticles (NPs) that form (1) submonolayer films of particles adsorbed on a dielectric substrate, considered as two-dimensional (2-D) systems, and (2) thin three-dimensional (3-D) films, where NPs are embedded in a dielectric matrix. For system (1), the effect of NPs' distance to the substrate is taken into account. In both cases, we find that short-range clustering leads to a broadening and a spectral shift of the absorption band related to the surface plasmon resonance (SPR) in individual NPs. We show that the clustering can help in achieving spectrally broad SPR bands, especially if NPs aggregate into fractal clusters, which can be interesting for some applications such as surface-enhanced Raman scattering. In particular, submonolayer films on NPs generated using the diffusion-limited aggregation algorithm produce sizable and spectrally broad absorption, which can be tuned to the visible range by choosing an appropriate capping and/or substrate material. Calculated results for thin 3-D films are compared with experimental data obtained for Au/TiO2 nanocomposite layers produced by reactive cosputtering.

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

    PubMed

    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. PMID:27195483

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

    NASA Astrophysics Data System (ADS)

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

    The effect of lattice vibration on electronic band structures has been mostly neglected in first-principles calculations because the electron-phonon (e-ph) renormalization of quasi-particle energies is often small (< 100 meV). However, in certain materials, such as diamond, the electron-phonon coupling reduces the band gap by nearly 0.5 eV, which is comparable to the many-body corrections of the electronic band structures calculated using the density functional theory (DFT). In this work, we compared two implementations of the Allen-Heine-Cardona theory in the EPW code and the ABINIT package respectively. Our computations of Si and diamond demonstrate that the ABINIT implementation converges much faster. Using this method, the e-ph renormalizations of electronic structures of three C allotropes (diamond, graphite, graphene) and four BN polymorphs (zincblend, wurtzite, mono-layer, and layered-hexagonal) were calculated. Our results suggest that (1) all of the zero-point renormalizations of band gaps in these materials, except for graphene, are larger than 100 meV, and (2) there are large variations in e-ph renormalization of band gaps due to differences in crystal structure. This work was supported by a U.S. DOE Early Career Award (Grant No. DE-SC0006433). Computations were carried out at the Golden Energy Computing Organization at CSM and the National Energy Research Scientific Computing Center (NERSC).

  18. UWB Band-notched Adjustable Antenna Using Concentric Split-ring Slots Structure

    NASA Astrophysics Data System (ADS)

    Yin, Y.; Hong, J. S.

    2014-09-01

    In this paper, a kind of concentric split-ring slots structure is utilized to design a novel triple-band-notched UWB antenna. Firstly, a concentric split-ring slots structure that has a higher VSWR than that of a single slot at notch frequency is presented. What's more, the structure is very simple and feasible to obtain notched-band at different frequency by adjustment of the length of slot. Secondly, a triple-band-notched antenna, whose notched bands are at 3.52-3.81 GHz for WiMAX and 5.03-5.42 GHz and 5.73-56.17 GHz for WLAN, is designed by using this structure. At last, a compact size of 24 × 30 mm2 of the proposed antenna has been fabricated and measured and it is shown that the proposed antenna has a broadband matched impedance (3.05-14 GHz, VSWR < 2), relatively stable gain and good omnidirectional radiation patterns at low bands.

  19. Monte Carlo analysis of band structure influence on impact ionization in InP

    NASA Astrophysics Data System (ADS)

    Chandramouli, V.; Maziar, C. M.

    1993-02-01

    The influence of electronic band structure on the impact ionization phenomena in InP was studied using the Monte Carlo method. Realistic band structures evaluated using the nonlocal pseudopotential method were employed. Threshold energies for impact ionization were calculated throughout the first Brillouin zone. A new impact ionization model which explicitly takes into account the wave-vector dependence of impact ionization threshold energies was used to calculate the ionization rate. The simulation results of drift velocity and ionization coefficient agree very well with experimental data. In spite of significant anisotropy in the threshold energies and complex band structures, no significant orientational dependence was found in the ionization coefficients. An important result of the work presented here is the demonstration that the biaxial elastic strain in InP produced by the lattice mismatch between adjacent layers in a heterostructure can significantly alter the impact ionization thresholds.

  20. Turbulence structure over inhomogeneous heated surface

    NASA Astrophysics Data System (ADS)

    Nosov, V. V.; Lukin, V. P.; Nosov, E. V.; Torgaev, A. V.

    2015-11-01

    Structure of air turbulent motion inside closed volume (without exchange of internal and external medium through the borders) over inhomogeneous heated underlying surface had been studied by numerical solving of boundary value problems for hydrodynamics equations (Navier-Stokes). The solitary large vortices (coherent structures, topological solitons) whose decay generates the coherent turbulence are observed over homogeneous heated surface. Inhomogeneous heated surface leads to the appearance of Kolmogorov (incoherent) turbulence. The simulations confirm our previously experimentally (inside the dome rooms of astronomical telescopes) and theoretically stated conclusion that the mixing of coherent structures of different close-by sizes and different frequencies of major vortices results in the non-coherent Kolmogorov turbulence.

  1. Space-Borne Ku-Band Radar Observations of Extreme Surface Water Conditions

    NASA Astrophysics Data System (ADS)

    Nghiem, S. V.

    2005-12-01

    Acceleration of the global water cycle may lead to an exacerbation of hydrologic extremes. A multitude of extreme events has occurred in the last decade over the world including droughts, floods, record snow accumulation, and minimal ice cover with severe environmental and socioeconomic impacts. This paper presents an overview of the capabilities of space-borne Ku-band radar to measure extreme conditions of surface water including liquid and solid phases on land, ice, and oceans. Ku-band backscatter data acquired globally by the QuikSCAT satellite scatterometer are used to obtain the results. Hurricane Katrina in 2005 is the deadliest and costliest in U.S. with far-reaching impacts. Radar results of surface water over southern and eastern U.S. reveal the extreme extent of precipitation water deposited on land surface compared to the case of Hurricane Ivan in 2004. Radar monitoring of surface water pattern in California shows the extreme prolonged duration of precipitation-induced water in the 2005 wettest winter season over a century causing widespread flooding and landslide. For drought monitoring, radar maps of precipitation frequency over the U.S. Midwest in summer seasons indicate a sharp change to a severe drought in 2003 from the most frequent rains in 2000. Kenya experienced the worst drought in 45 years affecting more than 3 million people in 2000 when the radar data over Nairobi identified the collapse of the long rain season. Since then, satellite radar time-series up to July 2005 shows the consistency of the annual bimodal precipitation seasons suggesting an improvement in the local drought conditions. In cold land regions, backscatter data map seasonal snowmelt processes showing large variabilities in time and in space over the northern hemisphere. Satellite Ku-band radar measurements of snow accumulation on the Greenland ice sheet identify and map the record snow accumulation in the first quarter of 2005, verified with field observations and measurements from surface station networks, providing an extreme amount of water mass equivalent to more than three times the total glacier discharge by calving over the same duration. In Antarctica, radar results discover extensive ice layer created by anomalous melt in 2005 in coastal areas to regions well inland with local melt detected for the first time ever in the data history. Over the Arctic, sea ice extent has remained in a minimal condition in summers in the past four consecutive years (2002-2005) and multi-year ice areas in winters are reduced as seen in radar mapping results. These Ku-band radar capabilities in observing water states from space lend strong supports to future satellite Ku-band radar systems dedicated to measure crucial hydrologic and cryospheric parameters specifically designed to meet accuracy and resolution requirements by science research and operational applications.

  2. Structural evolution of cometary surfaces

    NASA Astrophysics Data System (ADS)

    Wallis, M. K.; Wickramasinghe, N. C.

    1991-04-01

    Comets with a high content of organics and light molecules are expected under cosmic radiation to gain a relatively unreactive crust and less volatile material to some 10 m deep. Interstellar dust impacts act to loosen and turn over about 1 cm of the surface. This paper discusses how far this accords with observations of cometary dust halos and new versus old comets. Two key material properties have emerged from recent studies: (1) the source of cometary volatiles is not ice in the sense of material with a single sublimation energy, and (2) the particulates are not simply mineral dust but include much organic material, some of which undergoes chemical processing and exchanges with the gaseous environment.

  3. Band structure tunability in MoS2 under interlayer compression: A DFT and GW study

    NASA Astrophysics Data System (ADS)

    Espejo, C.; Rangel, T.; Romero, A. H.; Gonze, X.; Rignanese, G.-M.

    2013-06-01

    The electronic band structures of MoS2 monolayer and 2H1 bulk polytype are studied within density-functional theory (DFT) and many-body perturbation theory (GW approximation). Interlayer van der Waals (vdW) interactions, responsible for bulk binding, are calculated with the postprocessing Wannier functions method. From both fat bands and Wannier functions analysis, it is shown that the transition from a direct band gap in the monolayer to an indirect band gap in bilayer or bulk systems is triggered by medium- to short-range electronic interactions between adjacent layers, which arise at the equilibrium interlayer distance determined by the balance between vdW attraction and exchange repulsion. The semiconductor-to-semimetal (S-SM) transition is found from both theoretical methods: around c=10.7 Å and c=9.9 Å for DFT and GW, respectively. A metallic transition is also observed for the interlayer distance c=9.7 Å. Dirac conelike band structures and linear bands near Fermi level are found for shorter c lattice parameter values. The VdW correction to total energy was used to estimate the pressure at which S-SM transition takes place from a fitting to a model equation of state.

  4. High-spin structure of {sup 105}Ag: Search for chiral doublet bands

    SciTech Connect

    Timar, J.; Sohler, D.; Berek, G.; Koike, T.; Pietralla, N.; Ahn, T.; Costin, A.; Rainovski, G.; Dusling, K.; Li, T. C.; Paul, E. S.; Starosta, K.; Vaman, C.

    2007-08-15

    The high-spin structure of the {sup 105}Ag nucleus has been studied by using the {sup 100}Mo({sup 10}B, 5n){sup 105}Ag reaction to search for chiral doublet bands based on the three-quasiparticle {pi}g{sub 9/2}{nu}(h{sub 11/2}){sup 2} configuration. The level scheme of {sup 105}Ag has been extended. New bands were found and the placement of the yrast {pi}g{sub 9/2}{nu}(h{sub 11/2}){sup 2} band was corrected. No side band to the yrast {pi}g{sub 9/2}{nu}(h{sub 11/2}){sup 2} band could be found in the present experiment. This observation indicates that the {gamma}-soft shape in the {sup 106}Ag changed to a more {gamma}-rigid axially symmetric shape in the yrast {sup 105}Ag configuration. However, a new pair of bands was observed to show the expected properties of a chiral doublet structure.

  5. Electronic band structure and optical properties of the cubic, Sc, Y and La hydride systems

    SciTech Connect

    Peterman, D.J.

    1980-01-01

    Electronic band structure calculations are used to interpret the optical spectra of the cubic Sc, Y and La hydride systems. Self-consistent band calculations of ScH/sub 2/ and YH/sub 2/ were carried out. The respective joint densities of states are computed and compared to the dielectric functions determined from the optical measurements. Additional calculations were performed in which the Fermi level or band gap energies are rigidly shifted by a small energy increment. These calculations are then used to simulate the derivative structure in thermomodulation spectra and relate the origin of experimental interband features to the calculated energy bands. While good systematic agreement is obtained for several spectral features, the origin of low-energy interband transitions in YH/sub 2/ cannot be explained by these calculated bands. A lattice-size-dependent premature occupation of octahedral sites by hydrogen atoms in the fcc metal lattice is suggested to account for this discrepancy. Various non-self-consistent calculations are used to examine the effect of such a premature occupation. Measurements of the optical absorptivity of LaH/sub x/ with 1.6 < x < 2.9 are presented which, as expected, indicate a more premature occupation of the octahedral sites in the larger LaH/sub 2/ lattice. These experimental results also suggest that, in contrast to recent calculations, LaH/sub 3/ is a small-band-gap semiconductor.

  6. Semiempirical Tight Binding Modeling of Electronic Band Structure of III-V Nitride Heterostructures

    NASA Astrophysics Data System (ADS)

    Gürel, H. Hakan; Akinci, Özden; Ünlü, Hilmi

    2007-04-01

    In this work, we discuss the composition and strain effects on the electronic band structure modeling of III-V nitrides heterostructures using the second nearest neighbor sp3s* semi-empirical tight binding theory. The model Hamiltonian includes the second nearest neighbor (2nn) interactions, the spin-orbit splitting and the nonlinear variations of the atomic energy levels and the bond length with ternary mole fraction. There is an excellent agreement between the model predictions and experiment for the principal band gaps at Γ, L and X symmetry points of Brillouin zone for AlN, GaN, InN and GaAs binaries and AlGaN, InGaN and GaAsN ternaries. The model predicts that the composition effects on the valence band offsets is small and linear but the conduction band offsets is nonlinear function of composition and large for large strain due to large deformation potential.

  7. Photonic band structure and transmission analysis of cholesteric blue phase II: electrostriction in the [100] direction.

    PubMed

    Ogawa, Yasuhiro; Fukuda, Jun-ichi; Yoshida, Hiroyuki; Ozaki, Masanori

    2014-02-24

    The photonic band structure and transmission properties of a cholesteric blue phase II liquid crystal, which is elongated in the [100] direction by electrostriction, are analyzed by finite-difference time-domain method. The simple cubic lattice deforms into a tetragonal lattice under the influence of an electric field, resulting in a change of the photonic band structure. Moreover, we show that the circular polarization dependence of the transmittance spectrum changes in an electric field, a behavior that has yet to be observed in experiment. PMID:24663695

  8. Size dependence of band structures in a two-dimensional plasmonic crystal with a square lattice.

    PubMed

    Yamamoto, Naoki; Saito, Hikaru

    2014-12-01

    A scanning transmission electron microscope (STEM) -cathodoluminescence (CL) technique is used to investigate the size dependence of the band structures in two-dimensional plasmonic crystals with a square lattice (SQ-PlCs) composed of cylindrical pillars and holes. The experimentally determined and calculated dependences of the band edge energies of the three SPP modes at the Γ point on the diameter of the cylindrical structure agree well. The photon maps reveal the field strength distributions of the standing SPP waves of the three eigenmodes. Additionally, a mechanism is proposed to explain the dependence of the contrast on the detected light polarization. PMID:25606906

  9. Enlarged band gap and electron switch in graphene-based step-barrier structure

    SciTech Connect

    Lu, Wei-Tao Ye, Cheng-Zhi; Institute of Condensed Matter Physics, Linyi University, 276005 Linyi ; Li, Wen

    2013-11-04

    We study the transmission through a step-barrier in gapped graphene and propose a method to enlarge the band gap. The step-barrier structure consists of two or more barriers with different strengths. It is found that the band gap could be effectively enlarged and controlled by adjusting the barrier strengths in the light of the mass term. Klein tunneling at oblique incidence is suppressed due to the asymmetry of step-barrier, contrary to the cases in single-barrier and superlattices. Furthermore, a tunable conductance channel could be opened up in the conductance gap, suggesting an application of the structure as an electron switch.

  10. Structural studies and band gap tuning of Cr doped ZnO nanoparticles

    SciTech Connect

    Srinet, Gunjan Kumar, Ravindra Sajal, Vivek

    2014-04-24

    Structural and optical properties of Cr doped ZnO nanoparticles prepared by the thermal decomposition method are presented. X-ray diffraction studies confirmed the substitution of Cr on Zn sites without changing the wurtzite structure of ZnO. Modified form of W-H equations was used to calculate various physical parameters and their variation with Cr doping is discussed. Significant red shift was observed in band gap, i.e., a band gap tuning is achieved by Cr doping which could eventually be useful for optoelectronic applications.

  11. Micro/nano-photonic structures and devices of III-nitride wide band-gap semiconductors

    NASA Astrophysics Data System (ADS)

    Shakya, Jagat B.

    III-nitride photonic devices offer benefits such as UV/blue emission, large band offsets of InN/GaN/AlN heterostructures allowing novel quantum well (QW) device design, and inherently high emission efficiencies. Furthermore, due to their mechanical hardness and larger band gaps, III-nitride based devices may operate at much higher temperatures and voltages/power levels and are expected to provide much lower temperature sensitivities. These are crucial advantages for many applications. New physical phenomena and properties are expected to dominate as the device size scales down. The micro-size light emitters offer benefits over edge-emitters such as the ability to create arrays of individually controllable pixels on a single chip, enhanced quantum efficiency, and greatly reduced lasing threshold. Micro and nano photonic structures and devices based upon III-nitride wide band-gap semiconductors were designed, fabricated and characterized. Individual microdisk blue-light-emitting diodes (mu-LEDs) of varying diameters from 5 to 20 mum have been fabricated from InGaN/GaN quantum wells (QW). Ultraviolet near-field scanning optical microscopy (UV-NSOM) and near-field spectroscopy have been employed to study the optical properties of AlGaN/GaN quantum-well submicron waveguides. Nanofabrication and characterization of photonic crystals (PCs) with diameter/periodicity as small as 70/150 nm on III-nitride materials has been achieved. An unprecedented maximum optical power enhancement factor of 20 was obtained under optical pumping from PCs on InGaN/GaN MQW. Under current injection, optical power enhancement factors of 2.9, 2.5 and 1.63 were obtained for PC-LEDs at 299 nm UV, 333 nm UV and 460 nm blue emission wavelengths, respectively. Transient responses of III-nitride UV PC-LEDs were measured by pico-second time-resolved electroluminescence (EL) spectroscopy. We have achieved 4-fold enhancement in modulation speed of UV LED by PC formation. The carrier recombination lifetime tauQW of the LED and the surface recombination velocities S of nitride materials were measured. Polarization resolved electroluminescence (EL) studies of III-nitride blue and UV LEDs were performed. It was found that transverse electric (TE) polarization dominates in the InGaN/GaN MQW blue LEDs. (lambda = 458 nm), whereas transverse magnetic (TM) polarization is dominant in the AlInGaN QW UV LEDs (lambda = 333 nm). This emission property makes nitride UV emitters unique and has direct consequences for its performance. New device design architectures are suggested for overcoming the problems associated with it.

  12. Ab initio determination of potential energy surfaces for the first two UV absorption bands of SO2

    NASA Astrophysics Data System (ADS)

    Xie, Changjian; Hu, Xixi; Zhou, Linsen; Xie, Daiqian; Guo, Hua

    2013-07-01

    Three-dimensional potential energy surfaces for the two lowest singlet (tilde A{}^1B_1 and tilde B{}^1A_2 ) and two lowest triplet (tilde a^3 B_1 and tilde b^3 A_2 ) states of SO2 have been determined at the Davidson corrected internally contracted multi-reference configuration interaction level with the augmented correlation-consistent polarized triple-zeta basis set (icMRCI+Q/AVTZ). The non-adiabatically coupled singlet states, which are responsible for the complex Clements bands of the B band, are expressed in a 2 × 2 quasi-diabatic representation. The triplet state potential energy surfaces, which are responsible for the weak A band, were constructed in the adiabatic representation. The absorption spectrum spanning both the A and B bands, which is calculated with a three-state non-adiabatic coupled Hamiltonian, is in good agreement with experiment, thus validating the potential energy surfaces and their couplings.

  13. Subwavelength structured surfaces and their applications

    NASA Technical Reports Server (NTRS)

    Raguin, Daniel H.; Morris, G. Michael

    1993-01-01

    The term subwavelength structured (SWS) surface describes any surface that contains a subwavelength-period grating or gratings. The grating may be of any type provided the period is sufficiently fine so that, unlike conventional gratings, no diffraction orders propagate other than the zeroth orders. Because of the fine periods involved, the fabrication of such surfaces for applications in the visible and infrared portions of the spectral regime have only recently been considered. With refinements in holographic procedures and the push of the semiconductor industry for submicron lithography, production of SWS surfaces is becoming increasingly viable. The topics covered include the following: analytic approaches to analyze SWS surfaces, 1D periodic stratification and effective medium theory, design of waveplates using form birefringence, and 2D binary antireflection structured surfaces.

  14. Band structure engineering and thermoelectric properties of charge-compensated filled skutterudites

    SciTech Connect

    Shi, Xiaoya; Yang, Jiong; Wu, Lijun; Salvador, James R.; Zhang, Cheng; Villaire, William L.; Haddad, Daad; Yang, Jihui; Zhu, Yimei; Li, Qiang

    2015-10-12

    Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co4Sb12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing the Yb content, we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively.

  15. Band Structure Engineering and Thermoelectric Properties of Charge-Compensated Filled Skutterudites

    PubMed Central

    Shi, Xiaoya; Yang, Jiong; Wu, Lijun; Salvador, James R.; Zhang, Cheng; Villaire, William L.; Haddad, Daad; Yang, Jihui; Zhu, Yimei; Li, Qiang

    2015-01-01

    Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co4Sb12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing the Yb content, we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively. PMID:26456013

  16. Band Structure Engineering and Thermoelectric Properties of Charge-Compensated Filled Skutterudites.

    PubMed

    Shi, Xiaoya; Yang, Jiong; Wu, Lijun; Salvador, James R; Zhang, Cheng; Villaire, William L; Haddad, Daad; Yang, Jihui; Zhu, Yimei; Li, Qiang

    2015-01-01

    Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co4Sb12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing the Yb content, we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively. PMID:26456013

  17. Band structure engineering and thermoelectric properties of charge-compensated filled skutterudites

    DOE PAGESBeta

    Shi, Xiaoya; Yang, Jiong; Wu, Lijun; Salvador, James R.; Zhang, Cheng; Villaire, William L.; Haddad, Daad; Yang, Jihui; Zhu, Yimei; Li, Qiang

    2015-10-12

    Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co4Sb12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing the Yb content,more » we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively.« less

  18. Valence-band density of states and surface electron accumulation in epitaxial SnO2 films

    NASA Astrophysics Data System (ADS)

    Vasheghani Farahani, S. K.; Veal, T. D.; Mudd, J. J.; Scanlon, D. O.; Watson, G. W.; Bierwagen, O.; White, M. E.; Speck, J. S.; McConville, C. F.

    2014-10-01

    The surface band bending and electronic properties of SnO2(101) films grown on r-sapphire by plasma-assisted molecular beam epitaxy have been studied by Fourier-transform infrared spectroscopy (FTIR), x-ray photoemission spectroscopy (XPS), Hall effect, and electrochemical capacitance-voltage measurements. The XPS results were correlated with density functional theory calculation of the partial density of states in the valence-band and semicore levels. Good agreement was found between theory and experiment with a small offset of the Sn 4d levels. Homogeneous Sb-doped SnO2 films allowed for the calculation of the bulk Fermi level with respect to the conduction-band minimum within the k .p carrier statistics model. The band bending and carrier concentration as a function of depth were obtained from the capacitance-voltage characteristics and model space charge calculations of the Mott-Schottky plots at the surface of Sb-doped SnO2 films. It was quantitatively demonstrated that SnO2 films have downward band bending and surface electron accumulation. The surface band bending, unoccupied donor surface-state density, and width of the accumulation region all decrease with increasing Sb concentration.

  19. Observation of lateral band-bending in the edge vicinity of atomically-thin Bi insulating film formed on Si(111) surface

    NASA Astrophysics Data System (ADS)

    Nagaoka, Katsumi; Uchihashi, Takashi; Nakayama, Tomonobu

    2016-02-01

    We investigated the local electronic structure in the vicinity of the domain edge of the atomically-thin Bi insulating film formed on a Si(111) surface using a scanning tunneling microscope (STM). We performed site-dependent differential conductance (dI/dV) measurements and found a clear change in the local electronic structure; the shift in the energy position of the valence-band state showed a parabolic behavior as a function of the distance from the edge. It clearly indicates that the local electronic structure in the edge vicinity was electrostatically modified by the lateral band bending. Understanding the lateral changes of electronic structures in the edge vicinity will be helpful for realizing desirable characteristics for nanoscale devices by means of controlling chemical species for the edge termination.

  20. Band stop vibration suppression using a passive X-shape structured lever-type isolation system

    NASA Astrophysics Data System (ADS)

    Liu, Chunchuan; Jing, Xingjian; Chen, Zhaobo

    2016-02-01

    In the paper, band-stop vibration suppression property using a novel X-shape structured lever-type isolation system is studied. The geometrical nonlinear property of an X-shape supporting structure is used to improve the band-stop characteristics in the low frequency range of the lever-type vibration isolator. With the dynamics modeling of this hybrid structural system, it is shown that the proposed hybrid vibration system has very beneficial nonlinear stiffness and damping properties which are helpful to achieve much wider stop bandwidth. Theoretical results demonstrate that the anti-resonant frequencies, width and magnitude of the stop band can all be flexibly designed with structural parameters, and the parameters of the X-shape supporting structure are very critical for designing the band-stop frequency to achieve excellent low-frequency isolation performance. The results in the study provide a new approach to the design of the passive vibration suppression system in the low frequency region.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  2. Estimation of Bare Surface Soil Moisture and Surface Roughness Parameter Using L-Band SAR Image Data

    NASA Technical Reports Server (NTRS)

    Shi, Jian-Cheng; Wang, James; Hsu, Ann; ONeill, Peggy; Engman, Edwin T.

    1997-01-01

    An algorithm based on a fit of the single-scattering Integral Equation Method (IEM) was developed to provide estimation of soil moisture and surface roughness parameter (a combination of rms roughness height and surface power spectrum) from quasi-polarized synthetic aperture radar (SAR) measurements. This algorithm was applied to a series of measurements acquired at L-band (1.25 GHz) from both AIRSAR (Airborne Synthetic Aperture Radar operated by Jet Propulsion Laboratory) and SIR-C (Spaceborne Imaging Radar-C) over a well-managed watershed in southwest Oklahoma. It was found that the two co-polarized backscattering coefficients and their combinations would provide the best input to the algorithm for estimation of soil moisture and roughness parameter. Application of the inversion algorithm to the co-polarized measurements of both AIRSAR and SIR-C resulted in estimated values of soil moisture and roughness parameter for bare and short-vegetated fields that compared favorably with those sampled on the ground. The root-mean-square (rms) errors of the comparison were found to be 3.4% and 1.9 dB for soil moisture and surface roughness parameter, respectively.

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

    SciTech Connect

    Kevin Jerome Sutherland

    2001-05-01

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

  4. Effects of Electronic and Lattice Polarization on the Band Structure of Delafossite Transparent Conductive Oxides

    NASA Astrophysics Data System (ADS)

    Vidal, Julien; Trani, Fabio; Bruneval, Fabien; Marques, Miguel A. L.; Botti, Silvana

    2010-04-01

    We use hybrid functionals and restricted self-consistent GW, state-of-the-art theoretical approaches for quasiparticle band structures, to study the electronic states of delafossite Cu(Al,In)O2, the first p-type and bipolar transparent conductive oxides. We show that a self-consistent GW approximation gives remarkably wider band gaps than all the other approaches used so far. Accounting for polaronic effects in the GW scheme we recover a very nice agreement with experiments. Furthermore, the modifications with respect to the Kohn-Sham bands are strongly k dependent, which makes questionable the common practice of using a scissor operator. Finally, our results support the view that the low energy structures found in optical experiments, and initially attributed to an indirect transition, are due to intrinsic defects in the samples.

  5. Band-structure results for elastic waves interpreted with multiple-scattering theory

    SciTech Connect

    Li Cai; Han Xiaoyun; Wen Xisen

    2006-10-15

    The band-structure results for elastic wave propagating in a binary phononic crystal are analyzed by employing a multiple-scattering approach. It has been found that there are uncoupling effects at the high symmetry points of the Brillouin zone that open the spectral gaps. At the edge of the first band gap, a self-contained multiple scattering mode has been obtained which comprises only the zeroth-order cylindrical wave component. An analytic relationship for the beginning frequency of the first band gap has been obtained which comprises the periodic structural property and the Mie scattering of a single inclusion simultaneously. By graphic analytic method, the influence of these two properties were evaluated separately and combined.

  6. Correlating simulated surface marks with near-surface tornado structure

    NASA Astrophysics Data System (ADS)

    Zimmerman, Michael I.

    Tornadoes often leave behind patterns of debris deposition, or "surface marks", which provide a direct signature of their near surface winds. The intent of this thesis is to investigate what can be learned about near-surface tornado structure and intensity through the properties of surface marks generated by simulated, debris-laden tornadoes. Earlier work showed through numerical simulations that the tornado's structure and intensity is highly sensitive to properties of the near-surface flow and can change rapidly in time for some conditions. The strongest winds often occur within tens of meters of the surface where the threat to human life and property is highest, and factors such as massive debris loadings and asymmetry of the main vortex have proven to be critical complications in some regimes. However, studying this portion of the flow in the field is problematic; while Doppler radar provides the best tornado wind field measurements, it cannot probe below about 20 m, and interpretation of Doppler data requires assumptions about tornado symmetry, steadiness in time, and correlation between scatterer and air velocities that are more uncertain near the surface. As early as 1967, Fujita proposed estimating tornado wind speeds from analysis of aerial photography and ground documentation of surface marks. A handful of studies followed but were limited by difficulties in interpreting physical origins of the marks, and little scientific attention has been paid to them since. Here, Fujita's original idea is revisited in the context of three-dimensional, large-eddy simulations of tornadoes with fully-coupled debris. In this thesis, the origins of the most prominent simulated marks are determined and compared with historical interpretations of real marks. The earlier hypothesis that cycloidal surface marks were directly correlated with the paths of individual vortices (either the main vortex or its secondary vortices, when present) is unsupported by the simulation results. Cycloids in the simulations arise from debris deposited beneath the central annular updraft that has converged from a much larger area and are modulated by turbulent fluctuations in debris amount. Other classes of marks noted in the literature such as "lineation" and "scalloping" are also reinterpreted. Variations in the shapes, sizes, and spacings of surface marks with the most critical dimensionless parameters characterizing near-surface and debris cloud structure are explored. Analysis techniques are presented to capture the geometric properties of marks in some regimes, and possibilities for inferring near-surface vortex flow scales from mark properties are discussed. The prospects are promising enough to warrant documentation of surface marks when available (likely through aerial photography), particularly for cases where useful Doppler measurements have been gathered.

  7. Band structure and optical properties of lead tungstate, and multiphoton microscopy of lead tungstate and gallium nitride: A combined theoretical and experimental dissertation

    NASA Astrophysics Data System (ADS)

    Zhang, Yaochun

    2001-07-01

    This dissertation covers two major parts: (1) band structure calculation on four scheelite crystals and optical property calculation on PbWO4 ; (2) multiphoton excitation microscopy study on PbWO4 and GaN. Density functional calculations using the linearized augmented plane wave (LAPW) method were carried out for PbWO4 as well as for CaMoO 4, CaWO4, and PbMoO4 in order to determine their ground state electronic properties. The results indicate that CaMoO4 and CaWO4 have direct band gaps at the center of the Brillouin zone, while PbMoO4 and PbWO4 have band extrema at wave vectors away from the zone center with possibly indirect band gaps. The valence and conduction bands near the band gap are dominated by molecular orbitals associated with the MoO-a4 and WO-a4 ions, where alpha ≈ 2. In the Pb materials, the Pb 6s states form narrow bands 1eV below the bottom of the valence bands and also hybridize with states throughout the valence bands, while the Pb 6p states hybridize with states throughout the conduction bands. In the Ca materials, the Ca 3d states contribute to a high density of states 3--4eV above the bottom of the conduction bands. Dielectric constants and reflectivity of PbWO4 are also studied. The reflectivity calculated from the single-particle band structure compares with the experimental reflectivity unexpectedly well, including the sharp peak at the absorption threshold. And the exciton binding energy of PbWO 4 is discussed and estimated as well as its band gap. By using of a home-made multiphoton excitation scanning microscope, the luminescence spectra in both PbWO4 crystals and epitaxial films of GaN have been resolved in three spatial dimensions. Inhomogeneities have been observed in both MOVPE- and MBE-grown GaN samples with occasional intense spots of 200 nm to 800 nm size (FWHM). Axial scans suggest non-radiative recombination (dead-layer) zones at the interfaces, the band-to-band photoluminescence image can be generally described as dim over most of the surface. In PbWO4 samples, no distinct spectroscopic features are resolved in the surface and inside the bulk under the limit of the current system resolution. The explanation of the rapid falloff of luminescence intensity in z-scan is suggested.

  8. Fully opposite spin polarization of electron and hole bands in DyN and related band structures of GdN and HoN

    NASA Astrophysics Data System (ADS)

    Cheiwchanchamnangij, Tawinan; Lambrecht, Walter R. L.

    2015-07-01

    Using quasiparticle self-consistent G W calculations, we show that DyN has an unusual nearly zero indirect gap semimetallic band structure in which the states near the valence band maximum are fully minority spin polarized at Γ while the states near the conduction band minimum (at X ) have fully majority spin character. This arises due to a strong hybridization of one of the minority spin f states of dysprosium with the N-2 p bands. The reason why only one of the f bands hybridizes is explained using symmetry arguments. We show that in HoN, this hybridization is already strongly reduced because of the deeper Ho-4 f minority spin states.

  9. Correlation between surface chemistry, density and band gap in nanocrystalline WO3 thin films

    SciTech Connect

    Vemuri, Venkata Rama Ses; Engelhard, Mark H.; Ramana, C.V.

    2012-03-01

    Nanocrystalline WO3 thin films were produced by sputter-deposition by varying the ratio of argon to oxygen in the reactive gas mixture during deposition. The surface chemistry, physical characteristics, and optical properties of nanocrystalline WO3 films were evaluated using X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray reflectivity (XRR), and spectrophotometric measurements. The effect of ultra-microstructure was significant on the optical properties of WO3 films. The XPS analyses indicate the formation of stoichiometric WO3 with tungsten existing in fully oxidized valence state (W6+). However, WO3 films grown at high oxygen concentration (>60%) in the sputtering gas mixture were over stoichiometric with excess oxygen. XRR simulations, which are based on isotropic WO3 film - SiO2 interface - Si substrate model, indicate that the density of WO3 films is sensitive to the oxygen content in the sputtering gas. The spectral transmission of the films increased with the increasing oxygen. The band gap of these films increases from 2.78 eV to 3.25 eV with increasing oxygen. A direct correlation between the film-density and band gap in nanocrystalline WO3 films is established based on the observed results.

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

    PubMed Central

    Zribi, Mehrez; Pardé, Mickael; Boutin, Jacquline; Fanise, Pascal; Hauser, Daniele; Dechambre, Monique; Kerr, Yann; Leduc-Leballeur, Marion; Reverdin, Gilles; Skou, Niels; Søbjærg, Sten; Albergel, Clement; Calvet, Jean Christophe; Wigneron, Jean Pierre; Lopez-Baeza, Ernesto; Rius, Antonio; Tenerelli, Joseph

    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 on board a dedicated French ATR42 research aircraft, in conjunction with other airborne instruments (C-Band scatterometer—STORM, the GOLD-RTR GPS system, the infrared CIMEL radiometer and a visible wavelength camera). Following initial laboratory qualifications, three airborne campaigns involving 21 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 horizontal flights, circular flights, wing and nose wags over the ocean. Analysis of the first two campaigns in 2007 and 2008 leads us to improve the CAROLS radiometer regarding isolation between channels and filter bandwidth. After implementation of these improvements, results show that the instrument 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. PMID:22346599

  11. 30 CFR 75.1708-1 - Surface structures; fireproof construction.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Surface structures; fireproof construction. 75... Surface structures; fireproof construction. Structures of fireproof construction is interpreted to mean structures with fireproof exterior surfaces....

  12. 30 CFR 75.1708-1 - Surface structures; fireproof construction.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Surface structures; fireproof construction. 75... Surface structures; fireproof construction. Structures of fireproof construction is interpreted to mean structures with fireproof exterior surfaces....

  13. 30 CFR 75.1708-1 - Surface structures; fireproof construction.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Surface structures; fireproof construction. 75... Surface structures; fireproof construction. Structures of fireproof construction is interpreted to mean structures with fireproof exterior surfaces....

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

    NASA Astrophysics Data System (ADS)

    Podloucky, R.; Glötzel, D.

    1983-03-01

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

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

    SciTech Connect

    Canulescu, S. Schou, J.; Rechendorff, K.; Pleth Nielsen, L.; Borca, C. N.; Jones, N. C.; Hoffmann, S. V.; Bordo, K.; Ambat, R.

    2014-03-24

    The band structure of pure and Ti-alloyed anodic aluminum oxide has been examined as a function of Ti concentration varying from 2 to 20 at. %. The band gap energy of Ti-alloyed anodic Al oxide decreases with increasing Ti concentration. X-ray absorption spectroscopy reveals that Ti atoms are not located in a TiO{sub 2} unit in the oxide layer, but rather in a mixed Ti-Al oxide layer. The optical band gap energy of the anodic oxide layers was determined by vacuum ultraviolet spectroscopy in the energy range from 4.1 to 9.2 eV (300–135 nm). The results indicate that amorphous anodic Al{sub 2}O{sub 3} has a direct band gap of 7.3 eV, which is about ∼1.4 eV lower than its crystalline counterpart (single-crystal Al{sub 2}O{sub 3}). Upon Ti-alloying, extra bands appear within the band gap of amorphous Al{sub 2}O{sub 3}, mainly caused by Ti 3d orbitals localized at the Ti site.

  16. Interacting quasi-band theory for electronic states in compound semiconductor alloys: Wurtzite structure

    NASA Astrophysics Data System (ADS)

    Kishi, Ayaka; Oda, Masato; Shinozuka, Yuzo

    2016-05-01

    This paper reports on the electronic states of compound semiconductor alloys of wurtzite structure calculated by the recently proposed interacting quasi-band (IQB) theory combined with empirical sp3 tight-binding models. Solving derived quasi-Hamiltonian 24 × 24 matrix that is characterized by the crystal parameters of the constituents facilitates the calculation of the conduction and valence bands of wurtzite alloys for arbitrary concentrations under a unified scheme. The theory is applied to III–V and II–VI wurtzite alloys: cation-substituted Al1‑ x Ga x N and Ga1‑ x In x N and anion-substituted CdS1‑ x Se x and ZnO1‑ x S x . The obtained results agree well with the experimental data, and are discussed in terms of mutual mixing between the quasi-localized states (QLS) and quasi-average bands (QAB): the latter bands are approximately given by the virtual crystal approximation (VCA). The changes in the valence and conduction bands, and the origin of the band gap bowing are discussed on the basis of mixing character.

  17. Band structures of 182Os studied by GCM based on 3D-CHFB

    NASA Astrophysics Data System (ADS)

    Horibata, Takatoshi; Oi, Makito; Onishi, Naoki; Ansari, Ahmad

    1999-02-01

    Band structure properties of 182Os are investigated through a particle number and angular momentum constrained generator coordinate (GCM) calculation based on self-consistent threedimensional cranking solutions. From the analysis of the wave function of the lowest GCM solution, we confirm that this nucleus shows a tilted rotational motion in its yrast states, at least with the present set of force parameters of the pairing-plus-quadrupole interaction Hamiltonian. A close examination of the behaviour of the other GCM solutions reveals a sign of a possible occurrence of multi-band crossing in the nucleus. We have also found a new potential curve along the prime meridian on the globe of the J = 18 h? sphere. Along this new solution the characters of proton and neutron gap parameters get interchanged. Namely, ? p almost vanishes while ? n grows to a finite value close to the one corresponding to the principal axis rotation (PAR). A state in the new solution curve at the PAR point turns out to have almost the same characteristic features of an yrare s-band state which is located just above the g-band in our calculation. This fact suggests a new type of seesaw vibrational mode of the proton and the neutron pairing, occurring through a wobbling motion. This mode is considered to bridge the g-band states and the s-band states in the backbending region.

  18. Fiber-coupled surface-emitting photonic crystal band edge laser for biochemical sensor applications

    NASA Astrophysics Data System (ADS)

    Kim, Sunghwan; Lee, Jeongkug; Jeon, Heonsu; Kim, Hyo Jin

    2009-03-01

    We report on a refractive index sensor platform based on a surface-emitting photonic crystal (PC) Γ-point band edge laser (BEL). A simple butt-end fiber coupling makes the BEL system compact, while the translational symmetry of the PC pattern removes the necessity of fiber alignment. The laser wavelength shifts linearly to longer wavelengths as the refractive index of the environmental medium increases. Our BEL system had an index resolution of ˜10-3. Taking into account the alignment-free nature, as well as its ultracompactness and high fiber-coupled laser output, the BEL system is well suited to a label-free sensor platform for biochemical applications.

  19. Longitudinal surface structures (flowstripes) on Antarctic glaciers

    NASA Astrophysics Data System (ADS)

    Glasser, N. F.; Gudmundsson, G. H.

    2012-03-01

    Longitudinal surface structures ("flowstripes") are common on many glaciers but their origin and significance are poorly understood. In this paper we present observations of the development of these longitudinal structures from four different Antarctic glacier systems; the Lambert Glacier/Amery Ice Shelf area, the Taylor and Ferrar Glaciers in the Ross Sea sector, Crane and Jorum Glaciers (ice-shelf tributary glaciers) on the Antarctic Peninsula, and the onset zone of a tributary to the Recovery Glacier Ice Stream in the Filchner Ice Shelf area. Mapping from optical satellite images demonstrates that longitudinal surface structures develop in two main situations: (1) as relatively wide flow stripes within glacier flow units and (2) as relatively narrow flow stripes where there is convergent flow around nunataks or at glacier confluence zones. Our observations indicate that the confluence features are narrower, sharper, and more clearly defined features. They are characterised by linear troughs or depressions on the ice surface and are much more common than the former type. Longitudinal surface structures within glacier flow units have previously been explained as the surface expression of localised bed perturbations but a universal explanation for those forming at glacier confluences is lacking. Here we propose that these features are formed at zones of ice acceleration and extensional flow at glacier confluences. We provide a schematic model for the development of longitudinal surface structures based on extensional flow that can explain their ridge and trough morphology as well as their down-ice persistence.

  20. Impact of the valence band structure of Cu2O on excitonic spectra

    NASA Astrophysics Data System (ADS)

    Schweiner, Frank; Main, Jörg; Feldmaier, Matthias; Wunner, Günter; Uihlein, Christoph

    2016-05-01

    We present a method to calculate the excitonic spectra of all direct semiconductors with a complex valence band structure. The Schrödinger equation is solved using a complete basis set with Coulomb-Sturmian functions. This method also allows for the computation of oscillator strengths. Here we apply this method to investigate the impact of the valence band structure of cuprous oxide (Cu2O ) on the yellow exciton spectrum. Results differ from those of J. Thewes et al. [Phys. Rev. Lett. 115, 027402 (2015), 10.1103/PhysRevLett.115.027402]; the differences are discussed and explained. The difference between the second and third Luttinger parameter can be determined by comparisons with experiments; however, the evaluation of all three Luttinger parameters is not uniquely possible. Our results are consistent with band structure calculations. Considering also a finite momentum ℏ K of the center of mass, we show that the large K -dependent line splitting observed for the 1 S exciton state by G. Dasbach et al. [Phys. Rev. Lett. 91, 107401 (2003), 10.1103/PhysRevLett.91.107401] is not related to an exchange interaction but rather to the complex valence band structure of Cu2O .

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

    NASA Astrophysics Data System (ADS)

    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).

  2. Three-Dimensional Structure of Vertebrate Muscle Z-Band: The Small-Square Lattice Z-Band in Rat Cardiac Muscle

    PubMed Central

    Burgoyne, Thomas; Morris, Edward P.; Luther, Pradeep K.

    2015-01-01

    The Z-band in vertebrate striated muscle crosslinks actin filaments of opposite polarity from adjoining sarcomeres and transmits tension along myofibrils during muscular contraction. It is also the location of a number of proteins involved in signalling and myofibrillogenesis; mutations in these proteins lead to myopathies. Understanding the high-resolution structure of the Z-band will help us understand its role in muscle contraction and the role of these proteins in the function of muscle. The appearance of the Z-band in transverse-section electron micrographs typically resembles a small-square lattice or a basketweave appearance. In longitudinal sections, the Z-band width varies more with muscle type than species: slow skeletal and cardiac muscles have wider Z-bands than fast skeletal muscles. As the Z-band is periodic, Fourier methods have previously been used for three-dimensional structural analysis. To cope with variations in the periodic structure of the Z-band, we have used subtomogram averaging of tomograms of rat cardiac muscle in which subtomograms are extracted and compared and similar ones are averaged. We show that the Z-band comprises four to six layers of links, presumably α-actinin, linking antiparallel overlapping ends of the actin filaments from the adjoining sarcomeres. The reconstruction shows that the terminal 5–7 nm of the actin filaments within the Z-band is devoid of any α-actinin links and is likely to be the location of capping protein CapZ. PMID:26362007

  3. Improving Ku-band Scatterometer Ocean Surface Wind Direction Retrievals in Tropical Cyclones

    NASA Astrophysics Data System (ADS)

    Foster, R. C.; Zhang, J.; Black, P. G.

    2014-12-01

    Tropical cyclones are regions of very strong rain and very high winds, both of which present major challenges to surface wind vector retrieval from Ku-band scatterometers. Wind speed and wind direction retrievals can incur severe errors in regions of high rain rates. One particular signature of rain contamination is wind directions in the across-swath direction, which often leads to displaced circulation centers. Recently, Stiles et al. (2014) developed a method for retrieving QuikSCAT tropical cyclone wind speeds using a neural network approach that was tuned using H*WIND surface wind analyses and passive microwave-estimated rain rates from satellites. We are developing a scene-wide methodology by which a set of dynamically-consistent wind directions can be estimated from these wind speeds. The method is based on an iterative use of a tropical cyclone-specific sea-level pressure retrieval technique that we developed. The sea-level pressure analysis uses a boundary layer model that includes the dynamical shallowing of the tropical cyclone boundary layer toward the storm center, a roll-off in surface drag at high wind speeds, and, storm motion-corrected nonlinear mean flow advection effects. Scene-wide consistency is enforced by the integral nature (with respect to the surface wind vector field) of the derived surface pressure pattern and a constraint that the geostrophic contribution to the total flow is non-divergent. We are currently developing methods to evaluate the retrieved wind directions based on HRD aircraft observations and a limited-domain wind vector partitioning of the retrieved wind vectors into irrotational, non-divergent, and, background flow deformation contributions.

  4. Trends in the band structures of the group-I and -II oxides.

    PubMed

    Mikajlo, Elisabeth A; Dorsett, Helen E; Ford, Michael J

    2004-06-01

    Measured and calculated band structures for the six lightest group-I and -II oxides are reported. Band structures have been measured using electron momentum spectroscopy, a technique that maps the ground-state occupied orbitals resolved both in energy and momentum. Measurements are compared with first-principles calculations carried out within the linear combination of atomic orbitals approximation using both Hartree-Fock (HF) and density functional (DFT) methods. Three DFT functionals are used representative of the local density approximation, the generalized gradient approximation, and a hybrid method incorporating exact exchange. The calculated O 2p bandwidths and O 2p-2s band gaps generally scale linearly with the inverse of the oxygen-oxygen separation squared, but consistently show an anomaly at Li(2)O. These trends, including the anomaly, are also observed in the experimental data. HF calculations consistently overestimate the oxygen 2p-2s band gap by almost a factor of two. Measured band gaps lie within the range of the three DFT functionals employed, with evidence that the description of exchange becomes more important as the cation size increases. Both HF and DFT calculations overestimate the oxygen valence bandwidths, with DFT giving more accurate predictions. Both observed and calculated bandwidths converge as the cation size increases, indicating that exchange-correlation effects become less important as the metallic ion becomes larger. PMID:15268107

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

    PubMed

    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 < 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. PMID:24170984

  6. Band structures of delafossite transparent conductive oxides from a self-consistent GW approach

    NASA Astrophysics Data System (ADS)

    Trani, Fabio; Vidal, Julien; Botti, Silvana; Marques, Miguel A. L.

    2010-08-01

    We present a comparative study of the electronic band structures of the compounds CuMO2 (M=B,Al,In,Ga) which belong to the family of delafossite transparent conductive oxides. The theoretical approaches we use are the standard local-density approximation (LDA) to density-functional theory, LDA+U , hybrid functionals, and perturbative GW on top of LDA or self-consistent Coulomb hole plus screened exchange calculations. The latter approach, state-of-the-art theoretical approach for quasiparticle band structures, predicts direct band gaps that are compatible with experimental optical gaps only after including the strong polaronic and excitonic effects present in these materials. For what concerns the so-called band-gap anomaly of delafossite compounds, we find that GW approaches yield the same qualitative trends with increasing anion atomic number as the LDA: accounting for the oscillator strength at the absorption edge is the key to explain the experimental trend. None of the methods that we applied beyond the simple LDA is in agreement with the small indirect gaps found by many early experiments. This supports the recent view that the absorption bands identified as a sign of the indirect experimental gaps are likely due to defect states in the gap and are not a property of the pristine material.

  7. Doping and strain dependence of the electronic band structure in Ge and GeSn alloys

    NASA Astrophysics Data System (ADS)

    Xu, Chi; Gallagher, James; Senaratne, Charutha; Brown, Christopher; Fernando, Nalin; Zollner, Stefan; Kouvetakis, John; Menendez, Jose

    2015-03-01

    A systematic study of the effect of dopants and strain on the electronic structure of Ge and GeSn alloys is presented. Samples were grown by UHV-CVD on Ge-buffered Si using Ge3H8 and SnD4 as the sources of Ge and Sn, and B2H6/P(GeH3)3 as dopants. High-energy critical points in the joint-density of electronic states were studied using spectroscopic ellipsometry, which yields detailed information on the strain and doping dependence of the so-called E1, E1 +Δ1 , E0' and E2 transitions. The corresponding dependencies of the lowest direct band gap E0 and the fundamental indirect band gap Eindwere studied via room-T photoluminescence spectroscopy. Of particular interest for this work were the determination of deformation potentials, band gap renormalization effects, Burstein-Moss shifts due to the presence of carriers at band minima, and the dependence of other critical point parameters, such as amplitudes and phase angles, on the doping concentration. The selective blocking of transitions due to high doping makes it possible to investigate the precise k-space location of critical points. These studies are complemented with detailed band-structure calculations within a full-zone k-dot- p approach. Supported by AFOSR under DOD AFOSR FA9550-12-1-0208 and DOD AFOSR FA9550-13-1-0022.

  8. Colloids with high-definition surface structures

    PubMed Central

    Chen, Hsien-Yeh; Rouillard, Jean-Marie; Gulari, Erdogan; Lahann, Joerg

    2007-01-01

    Compared with the well equipped arsenal of surface modification methods for flat surfaces, techniques that are applicable to curved, colloidal surfaces are still in their infancy. This technological gap exists because spin-coating techniques used in traditional photolithographic processes are not applicable to the curved surfaces of spherical objects. By replacing spin-coated photoresist with a vapor-deposited, photodefinable polymer coating, we have now fabricated microstructured colloids with a wide range of surface patterns, including asymmetric and chiral surface structures, that so far were typically reserved for flat substrates. This high-throughput method can yield surface-structured colloidal particles at a rate of ≈107 to 108 particles per operator per day. Equipped with spatially defined binding pockets, microstructured colloids can engage in programmable interactions, which can lead to directed self-assembly. The ability to create a wide range of colloids with both simple and complex surface patterns may contribute to the genesis of previously unknown colloidal structures and may have important technological implications in a range of different applications, including photonic and phononic materials or chemical sensors. PMID:17592149

  9. Colloids with high-definition surface structures.

    PubMed

    Chen, Hsien-Yeh; Rouillard, Jean-Marie; Gulari, Erdogan; Lahann, Joerg

    2007-07-01

    Compared with the well equipped arsenal of surface modification methods for flat surfaces, techniques that are applicable to curved, colloidal surfaces are still in their infancy. This technological gap exists because spin-coating techniques used in traditional photolithographic processes are not applicable to the curved surfaces of spherical objects. By replacing spin-coated photoresist with a vapor-deposited, photodefinable polymer coating, we have now fabricated microstructured colloids with a wide range of surface patterns, including asymmetric and chiral surface structures, that so far were typically reserved for flat substrates. This high-throughput method can yield surface-structured colloidal particles at a rate of approximately 10(7) to 10(8) particles per operator per day. Equipped with spatially defined binding pockets, microstructured colloids can engage in programmable interactions, which can lead to directed self-assembly. The ability to create a wide range of colloids with both simple and complex surface patterns may contribute to the genesis of previously unknown colloidal structures and may have important technological implications in a range of different applications, including photonic and phononic materials or chemical sensors. PMID:17592149

  10. Control of valence and conduction band energies in layered transition metal phosphates via surface functionalization.

    PubMed

    Lentz, Levi C; Kolb, Brian; Kolpak, Alexie M

    2016-05-18

    Layered transition metal phosphates and phosphites (TMPs) are a class of materials composed of layers of 2D sheets bound together via van der Waals interactions and/or hydrogen bonds. Explored primarily for use in proton transfer, their unique chemical tunability also makes TMPs of interest for forming large-scale hybrid materials. Further, unlike many layered materials, TMPs can readily be solution exfoliated to form single 2D sheets or bilayers, making them exciting candidates for a variety of applications. However, the electronic properties of TMPs have largely been unstudied to date. In this work, we use first-principles computations to investigate the atomic and electronic structure of TMPs with a variety of stoichiometries. We demonstrate that there exists a strong linear relationship between the band gap and the ionic radius of the transition metal cation in these materials, and show that this relationship, which opens opportunities for engineering new compositions with a wide range of band gaps, arises from constraints imposed by the phosphorus-oxygen bond geometry. In addition, we find that the energies of the valence and conduction band edges can be systematically tuned over a range of ∼3 eV via modification of the functional group extending from the phosphorus. Based on the Hammett constant of this functional group, we identify a simple, predictive relationship for the ionization potential and electron affinity of layered TMPs. Our results thus provide guidelines for systematic design of TMP-derived functional materials, which may enable new approaches for optimizing charge transfer in electronics, photovoltaics, electrocatalysts, and other applications. PMID:27157509

  11. Photodissociation of ozone in the Hartley band: Potential energy surfaces, nonadiabatic couplings, and singlet/triplet branching ratio

    NASA Astrophysics Data System (ADS)

    Schinke, R.; McBane, G. C.

    2010-01-01

    The lowest five A1' states of ozone, involved in the photodissociation with UV light, are analyzed on the basis of multireference configuration interaction electronic structure calculations with emphasis on the various avoided crossings in different regions of coordinate space. Global diabatic potential energy surfaces are constructed for the lowest four states termed X, A, B, and R. In addition, the off-diagonal potentials that couple the initially excited state B with states R and A are constructed to reflect results from additional electronic structure calculations, including the calculation of nonadiabatic coupling matrix elements. The A/X and A/R couplings are also considered, although in a less ambitious manner. The photodissociation dynamics are studied by means of trajectory surface hopping (TSH) calculations with the branching ratio between the singlet, O(D1)+O2(Δ1g), and triplet, O(P3)+O2(Σ3g-), channels being the main focus. The semiclassical branching ratio agrees well with quantum mechanical results except for wavelengths close to the threshold of the singlet channel. The calculated O(D1) quantum yield is approximately 0.90-0.95 across the main part of the Hartley band, in good agreement with experimental data. TSH calculations including all four states show that transitions B→A are relatively unimportant and subsequent transitions A→X/R to the triplet channel are negligible.

  12. Effects of strain on the band structure of group-III nitrides

    NASA Astrophysics Data System (ADS)

    Yan, Qimin; Rinke, Patrick; Janotti, Anderson; Scheffler, Matthias; Van de Walle, Chris G.

    2014-09-01

    We present a systematic study of strain effects on the electronic band structure of the group-III-nitrides (AlN, GaN and InN) in the wurtzite phase. The calculations are based on density functional theory with band-gap-corrected approaches including the Heyd-Scuseria-Ernzerhof hybrid functional (HSE) and quasiparticle G0W0 methods. We study strain effects under realistic strain conditions, hydrostatic pressure, and biaxial stress. The strain-induced modification of the band structures is found to be nonlinear; transition energies and crystal-field splittings show a strong nonlinear behavior under biaxial stress. For the linear regime around the experimental lattice parameters, we present a complete set of deformation potentials (acz, act, D1, D2, D3, D4, D5, D6) that allows us to predict the band positions of group-III nitrides and their alloys (InGaN and AlGaN) under realistic strain conditions. The benchmarking G0W0 results for GaN agree well with the HSE data and indicate that HSE provides an appropriate description for the band structures of nitrides. We present a systematic study of strain effects on the electronic band structure of the group-III nitrides (AlN, GaN, and InN). We quantify the nonlinearity of strain effects by introducing a set of bowing parameters. We apply the calculated deformation potentials to the prediction of strain effects on transition energies and valence-band structures of InGaN alloys and quantum wells (QWs) grown on GaN, in various orientations (including c-plane, m-plane, and semipolar). The calculated band gap bowing parameters, including the strain effect for c-plane InGaN, agree well with the results obtained by hybrid functional alloy calculations. For semipolar InGaN QWs grown in (202¯1), (303¯1), and (303¯1¯) orientations, our calculated deformation potentials have provided results for polarization ratios in good agreement with the experimental observations, providing further confidence in the accuracy of our values.

  13. Tuning the band structures of single walled silicon carbide nanotubes with uniaxial strain: a first principles study

    SciTech Connect

    Wang, Zhiguo; Zu, Xiaotao T.; Xiao, H. Y.; Gao, Fei; Weber, William J.

    2008-05-09

    Electronic band structures of single-walled silicon carbide nanotubes are studied under uniaxial strain using first principles calculations. The band structure can be tuned by mechanical strain in a wide energy range. The band gap decreases with uniaxial tensile strain, but initially increases with uniaxial compressive strain and then decreases with further increases in compressive strain. These results may provide a way to tune the electronic structures of silicon carbide nanotubes, which may have promising applications in building nanodevices.

  14. Nonlinear optical response of semiconductor-nanocrystals-embedded photonic band gap structure

    NASA Astrophysics Data System (ADS)

    Liao, Chen; Zhang, Huichao; Tang, Luping; Zhou, Zhiqiang; Lv, Changgui; Cui, Yiping; Zhang, Jiayu

    2014-04-01

    Colloidal CdSe/ZnS core/shell nanocrystals (NCs), which were dispersed in SiO2 sol, were utilized to fabricate a SiO2:NCs/TiO2 all-dielectric photonic band gap (PBG) structure. The third-order nonlinear refractive index (n2) of the PBG structure was nearly triple of that of the SiO2:NCs film due to the local field enhancement in the PBG structure. The photoinduced change in refractive index (Δn) could shift the PBG band edge, so the PBG structure would show significant transmission modification, whose transmission change was ˜17 folds of that of the SiO2:NCs film. Under excitation of a 30 GW/cm2 femtosecond laser beam, a transmission decrease of 80% was realized.

  15. Results from the CLIC X-Band Structure Test Program at NLCTA

    SciTech Connect

    Adolphsen, Chris; Bowden, Gordon; Dolgashev, Valery; Laurent, Lisa; Tantawi, Sami; Wang, Faya; Wang, Juwen W.; Doebert, Steffen; Grudiev, Alexej; Riddone, Germana; Wuensch, Walter; Zennaro, Riccardo; Higashi, Yasuo; Higo, Toshiyasu; /KEK, Tsukuba

    2009-07-06

    As part of a SLAC-CERN-KEK collaboration on high gradient X-band structure research, several prototype structures for the CLIC linear collider study have been tested using two of the high power (300 MW) X-band rf stations in the NLCTA facility at SLAC. These structures differ in terms of their fabrication (brazed disks and clamped quadrants), gradient profile (amount by which the gradient increases along the structure, which optimizes efficiency and maximizes sustainable gradient) and HOM damping (use of slots or waveguides to rapidly dissipate dipole mode energy). The CLIC goal in the next few years is to demonstrate the feasibility of a CLIC-ready baseline design and to investigate alternatives that could increase efficiency. This paper summarizes the high gradient test results from NLCTA in support of this effort.

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

    SciTech Connect

    Yastrubchak, O.; Sadowski, J.; Domagala, J. Z.; Andrearczyk, T.; Wosinski, T.

    2014-08-18

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

  17. Band Structures and Physical Properties of Magnetic Layered Semiconductors MPS3

    NASA Astrophysics Data System (ADS)

    Kurita, Noriyuki; Nakao, Kenji

    1989-02-01

    The band structures of manganese chalcogeno-phosphate MnPS3 and iron chalcogeno-phosphate FePS3 are calculated self-consistently. From the calculation of the total energies of two types of magnetic structures of MnPS3, the experimentally observed magnetic structure is proved more stable. Furthermore, by comparing the band structures of MPS3 family (M=Mn, Fe, Ni, Zn), it is found that FePS3 and NiPS3 are more active to the Li intercalation than ZnPS3 and MnPS3, and that NiPS3 is the best cathode material in secondary lithium batteries in the MPS3 family.

  18. Electronic band structures and photovoltaic properties of MWO{sub 4} (M=Zn, Mg, Ca, Sr) compounds

    SciTech Connect

    Kim, Dong Wook; Cho, In-Sun; Shin, Seong Sik; Lee, Sangwook; Noh, Tae Hoon; Kim, Dong Hoe; Jung, Hyun Suk; Hong, Kug Sun

    2011-08-15

    Divalent metal tungstates, MWO{sub 4}, with wolframite (M=Zn and Mg) and scheelite (M=Ca and Sr) structures were prepared using a conventional solid state reaction method. Their electronic band structures were investigated by a combination of electronic band structure calculations and electrochemical measurements. From these investigations, it was found that the band structures (i.e. band positions and band gaps) of the divalent metal tungstates were significantly influenced by their crystal structural environments, such as the W-O bond length. Their photovoltaic properties were evaluated by applying to the working electrodes for dye-sensitized solar cells. The dye-sensitized solar cells employing the wolframite-structured metal tungstates (ZnWO{sub 4} and MgWO{sub 4}) exhibited better performance than those using the scheelite-structured metal tungstates (CaWO{sub 4} and SrWO{sub 4}), which was attributed to their enhanced electron transfer resulting from their appropriate band positions. - Graphical abstract: The electronic band structures of divalent metal tungstates are described from the combination of experimental results and theoretical calculations, and their electronic structure-dependent photovoltaic performances are also studied. Highlights: > MWO{sub 4} compounds with wolframite (M=Zn and Mg) and scheelite structure (M=Ca and Sr) were prepared. > Their electronic band structures were investigated by the calculations and the measurements. > Their photovoltaic properties were determined by the crystal and electronic structures.

  19. Effects of thermal and spin fluctuations on the band structure of purple bronze Li2Mo12O34

    NASA Astrophysics Data System (ADS)

    Jarlborg, T.; Chudzinski, P.; Giamarchi, T.

    2012-06-01

    The band structures of ordered and thermally disordered Li2Mo12O34 are calculated by use of the ab initio density-functional-theory-linear-muffin-tin (DFT-LMTO) method. The unusual, very one-dimensional band dispersion obtained in previous band calculations is confirmed for the ordered structure, and the overall band structure agrees reasonably well with existing photoemission data. Dispersion and band structure perpendicular to the main dispersive direction are obtained. A temperature-dependent band broadening is calculated from configurations with thermal disorder of the atomic positions within the unit cell. This leads to band broadening of the two bands at the Fermi energy which can become comparable to their energy separation. The bands are particularly sensitive to in-plane movements of Mo sites far from the Li sites, where the density of states (DOS) is highest. The latter fact makes the effect of Li vacancies on the two bands relatively small. Spin-polarized band results for the ordered structure show a surprisingly large exchange enhancement on the high DOS Mo sites. Consequences for spin fluctuations associated with a cell doubling along the conducting direction are discussed.

  20. Anticrossing of Landau levels in HgTe/CdHgTe (013) quantum wells with an inverted band structure

    NASA Astrophysics Data System (ADS)

    Zholudev, M. S.; Teppe, F.; Morozov, S. V.; Orlita, M.; Consejo, C.; Ruffenach, S.; Knap, W.; Gavrilenko, V. I.; Dvoretskii, S. A.; Mikhailov, N. N.

    2015-02-01

    The simultaneous splitting of lines of an interband transition and cyclotron resonance in the conduction band has been detected in the absorption spectra of HgTe/CdHgTe quantum wells with an inverted band structure in quantizing magnetic fields. It has been shown that it is due to the absence of an inversion center in the crystal, which results in the interaction between the lower Landau level of the conduction band and the upper Landau level of the valence band.

  1. Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.

    PubMed

    Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V; Dhanya, R; Narayana, Chandrabhas; Peter, Sebastian C

    2016-04-01

    We have demonstrated engineering of the electronic band gap of the hybrid materials based on POMs (polyoxometalates), by controlling its structural complexity through variation in the conditions of synthesis. The pH- and temperature-dependent studies give a clear insight into how these experimental factors affect the overall hybrid structure and its properties. Our structural manipulations have been successful in effectively tuning the optical band gap and electronic band structure of this kind of hybrids, which can find many applications in the field of photovoltaic and semiconducting devices. We have also addressed a common crystallographic disorder observed in Keggin-ion (one type of heteropolyoxometalate [POMs])-based hybrid materials. Through a combination of crystallographic, spectroscopic, and theoretical analysis of four new POM-based hybrids synthesized with tactically varied reaction conditions, we trace the origin and nature of the disorder associated with it and the subtle local structural coordination involved in its core picture. While the crystallography yields a centrosymmetric structure with planar coordination of Si, our analysis with XPS, IR, and Raman spectroscopy reveals a tetrahedral coordination with broken inversion symmetry, corroborated by first-principles calculations. PMID:26986739

  2. Electronic band structure of carbon nanotube superlattices from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Ayuela, A.; Chico, L.; Jaskólski, W.

    2008-02-01

    We report on first-principles calculations for metallic carbon nanotube superlattices N(12,0)/N(6,6) with N=1 4 . Although the calculated band structures show a good overall agreement with the results of the simpler tight-binding π -electron approximation, electron interaction and correlation effects strongly modify some peculiar flatbands, previously found within a tight-binding approach [W. Jaskólski and L. Chico, Phys. Rev. B 71, 155405 (2005)]. In the ab initio approach, these bands are no longer dispersionless, much closer to the Fermi level, and are always nondegenerate, in contrast to former tight-binding results.

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

    SciTech Connect

    Kumar, Amit; Singh, Suram; Bharti, Arun

    2015-08-28

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

  4. Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model

    DOE PAGESBeta

    Yin, Xiangshi; Cooper, Valentino R.; Weitering, Hanno H.; Snijders, Paul C.

    2015-09-22

    The chemical bonding of adsorbate molecules on transition-metal surfaces is strongly influenced by the hybridization between the molecular orbitals and the metal d-band. The strength of this interaction is often correlated with the location of the metal d-band center relative to the Fermi level. Here, we exploit finite size effects in the electronic structure of ultrathin Pd(111) films grown on Ru(0001) to tune their reactivity by changing the film thickness one atom layer at a time, while keeping all other variables unchanged. Interestingly, while bulk Pd(111) is reactive toward oxygen, Pd(111) films below five monolayers are surprisingly inert. This observationmore » is fully in line with the d-band model prediction when applied to the orbitals involved in the bonding. The shift of the d-band center with film thickness is primarily attributed to shifts in the partial density of states associated with the 4dxz and 4dyz orbitals. This study provides an in-depth look into the orbital specific contributions to the surface chemical reactivity, providing new insights that could be useful in surface catalysis.« less

  5. Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model

    SciTech Connect

    Yin, Xiangshi; Cooper, Valentino R.; Weitering, Hanno H.; Snijders, Paul C.

    2015-09-22

    The chemical bonding of adsorbate molecules on transition-metal surfaces is strongly influenced by the hybridization between the molecular orbitals and the metal d-band. The strength of this interaction is often correlated with the location of the metal d-band center relative to the Fermi level. Here, we exploit finite size effects in the electronic structure of ultrathin Pd(111) films grown on Ru(0001) to tune their reactivity by changing the film thickness one atom layer at a time, while keeping all other variables unchanged. Interestingly, while bulk Pd(111) is reactive toward oxygen, Pd(111) films below five monolayers are surprisingly inert. This observation is fully in line with the d-band model prediction when applied to the orbitals involved in the bonding. The shift of the d-band center with film thickness is primarily attributed to shifts in the partial density of states associated with the 4dxz and 4dyz orbitals. This study provides an in-depth look into the orbital specific contributions to the surface chemical reactivity, providing new insights that could be useful in surface catalysis.

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

    SciTech Connect

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

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    Lowe, M; Yadav, T P; Fourne, 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. PMID:25747095

  9. Structure studies of {sup 11}Be and {sup 12}Be: Observation of molecular rotational bands

    SciTech Connect

    Bohlen, H. G.; Blazevic, A.; Gebauer, B.; Oertzen, W. von; Thummerer, S.; Wilpert, M.; Grimes, S. M.; Massey, T. N.; Kalpakchieva, R.

    1999-11-16

    Excited states of {sup 11}Be have been studied with several transfer reactions. Nine states between 3.96 MeV and 25.0 MeV excitation energy show the characteristic energy dependence of a rotational band. The deduced large moment-of-inertia of this band is consistent with a two-{alpha} structure with large deformation. For {sup 12}Be four high lying states at 7.30 MeV, 10.7 MeV, 14.6 MeV and 21.7 MeV, which were observed in the {sup 9}Be({sup 15}N, {sup 12}N){sup 12}Be reaction, also form a rotational band with almost the same moment-of-inertia as for {sup 11}Be, using the tentative spin assignments of 2{sup +}-8{sup +}.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    SciTech Connect

    Quirk, J. B. Råsander, M.; McGilvery, C. M.; Moram, M. A.; Palgrave, R.

    2014-09-15

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

  12. Photoemission investigation of novel electronic structure on simple metal surfaces

    NASA Astrophysics Data System (ADS)

    La Shell, Sean J.

    Magnetism and superconductivity are interesting in their own right as bulk phenomena, but surface sensitive measurements of them are both uncommon and important. The novel electronic structure reported here has implications for both surface magnetism and surface superconductivity. We report the first observation of a spin-split surface state. The observation is from the Ḡ surface state on Au(111). The energy splitting increases linearly with momentum and is ≃ 0.11 eV at the Fermi momentum. The momentum splitting is 0.025 A -1. Since the spin-split band crosses the Fermi level, it is possible that Fermi surface nesting will lead to an antiferromagnetic surface. We also report determination of the value of the electron-phonon mass enhancement parameter lambda = 0.34 +/- 0.01 for the surface of Au(111). lambda is important for both thermal and electrical conductivity, and surface sensitive measurements will be useful as increasingly smaller devices have increasingly higher ratios of number of surface atoms to number of bulk atoms. Observation of non-quasiparticle behavior due to the electron-phonon interaction for the Ḡ surface state on Be(0001) is reported. Although this has been predicted for some time, it is only recently that sample cleanliness and experimental precision have reached the level necessary to measure non-quasiparticle behavior. A method for extraction of the electron-phonon self-energy from photoemission data is explained and demonstrated. Understanding the electron-phonon interaction in detail is both satisfying and useful. One application of this understanding is high temperature superconductivity.

  13. Sonic Stop-Bands for Periodic Arrays of Metallic Rods: Honeycomb Structure

    NASA Astrophysics Data System (ADS)

    Kushwaha, M. S.; Djafari-Rouhani, B.

    1998-12-01

    Extensive band structures have been computed for periodic arrays (in the honeycomb structure) of rigid metallic rods in air. Multiple complete acoustic stop bands have been obtained within which sound and vibrations are forbidden. These gaps start opening up for a filling fractionf≥8% and tend to increase with the filling fraction, exhibiting a maximum at the close-packing. A tandem structure has also been proposed that allows an ultrawideband filter for environmental or industrial noise to be achieved in the desired frequency range. This work is motivated by the recent experimental observation of sound attenuation on the sculpture by Eusebio Sempere, exhibited at the Juian March Foundation in Madrid [21] and complements the corresponding theoretical work [22, 23].

  14. Giant magnetoresistance and band structure of topological semimetal RhSb3

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

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

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

    NASA Astrophysics Data System (ADS)

    Tang, Chi-Pui; Cao, Jie; Xiong, Shi-Jie

    2015-06-01

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

  16. Ground-based testing of the dynamics of flexible space structures using band mechanisms

    NASA Technical Reports Server (NTRS)

    Yang, L. F.; Chew, Meng-Sang

    1991-01-01

    A suspension system based on a band mechanism is studied to provide the free-free conditions for ground based validation testing of flexible space structures. The band mechanism consists of a noncircular disk with a convex profile, preloaded by torsional springs at its center of rotation so that static equilibrium of the test structure is maintained at any vertical location; the gravitational force will be directly counteracted during dynamic testing of the space structure. This noncircular disk within the suspension system can be configured to remain unchanged for test articles with the different weights as long as the torsional spring is replaced to maintain the originally designed frequency ratio of W/k sub s. Simulations of test articles which are modeled as lumped parameter as well as continuous parameter systems, are also presented.

  17. The energy band structures of the warm dense plasmas with micro-structures inherited from original carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Dong, Q.-L.; Yang, J.; Jiang, Z.-T.; Sheng, Z.-M.; Zhang, J.

    2013-11-01

    The energy band structures of the warm dense plasmas with micro-structures inherited from single-walled carbon nanotubes are studied in detail by using the symmetry-adapted tight-binding model with the electron-ion core Coulomb interactions as the plasma effects. It is found that both the symmetry and the degeneracy of the calculated bands normal for the solid micro-structured targets may be destroyed by the electron-ion core Coulomb interactions. Moreover, the calculated Fermi levels of the micro-structured warm dense plasmas are about 1 eV higher than those of the original carbon nanotubes, while the transition energies of the warm dense plasmas are almost always smaller than those for the original carbon nanotubes.

  18. Influences of surface structures on polarization properties

    NASA Astrophysics Data System (ADS)

    Li, S.; Yu, M.; Wang, Z.

    2015-10-01

    The surface structure is an important factor that affects the polarization properties, which is useful information for object detection. This paper studies the influences of surface structures on polarization properties by the examination of man-made objects and nature objects using a scanning electron microscope (SEM) and white light confocal microscope. In the work, polarization imaging was discussed, and a system was set up to obtain polarization images. Comparing the degree of linear polarization (DOLP) images with traditional spectral images, there are obvious differences between man-made objects and nature objects on the micro- and nano-scales. The experiment results indicate that surface structures have significant influences on polarization properties, and such characteristic can be used to identify the differences between objects or materials.

  19. The two-dimensional structure of dynamic boundary layers and shear bands in thermoviscoplastic solids

    NASA Astrophysics Data System (ADS)

    Gioia, G.; Ortiz, M.

    1996-02-01

    A general boundary layer theory for thermoviscoplastic solids which accounts for inertia, rate sensitivity, hardening, thermal coupling, heat convection and conduction, and thermal softening is developed. In many applications of interest, the boundary layer equations can be considerably simplified by recourse to similarity methods, which facilitates the determination of steady-state and transient fully non-linear two-dimensional solutions. A simple analysis of the asymptotic behavior of the steady-state solutions leads to a classification of stable and unstable regimes. Under adiabatic conditions, the resulting material stability criterion coincides with that previously derived by Molinari and Clifton [(1987) Analytical characterization of shear localization in thermoviscoplastic solids. J. Appl, Mech.54, 806-812] by a quasi-static, one-dimensional analysis. The transition from initially stable to unstable behavior can also be conveniently described by similarity methods. This provides a powerful semi-analytical tool for the interpretation of impact tests exhibiting dynamic shear bands, and for the characterization of the two-dimensional structure of such bands. It follows from the theory that, if the velocity of the impactor is held steady, the leading tip of the shear band propagates at a constant speed. This shear band tip speed follows readily from the theory as a function of the impact velocity and material parameters. The two-dimensional velocity, stress, temperature and plastic work fields attendant to the propagating shear band are also determined.

  20. Structure And Kinetics Of Molecules At Surfaces

    NASA Astrophysics Data System (ADS)

    Chabal, Yves J.

    1989-12-01

    After a brief review of static (i.e. structural) studies of atoms and molecules at surfaces, a time-resolved infrared experiment is presented that measures the diffusion of CO molecules on a platinum surface. The time resolution of this pulsed molecular beam doser/Fourier Transform interferometer system is 5 ms, making it possible to measure molecular hopping rates (diffusion) over 5 orders of magnitude.

  1. Surface and deep structures in graphics comprehension.

    PubMed

    Schnotz, Wolfgang; Baadte, Christiane

    2015-05-01

    Comprehension of graphics can be considered as a process of schema-mediated structure mapping from external graphics on internal mental models. Two experiments were conducted to test the hypothesis that graphics possess a perceptible surface structure as well as a semantic deep structure both of which affect mental model construction. The same content was presented to different groups of learners by graphics from different perspectives with different surface structures but the same deep structure. Deep structures were complementary: major features of the learning content in one experiment became minor features in the other experiment, and vice versa. Text was held constant. Participants were asked to read, understand, and memorize the learning material. Furthermore, they were either instructed to process the material from the perspective supported by the graphic or from an alternative perspective, or they received no further instruction. After learning, they were asked to recall the learning content from different perspectives by completing graphs of different formats as accurately as possible. Learners' recall was more accurate if the format of recall was the same as the learning format which indicates surface structure influences. However, participants also showed more accurate recall when they remembered the content from a perspective emphasizing the deep structure, regardless of the graphics format presented before. This included better recall of what they had not seen than of what they really had seen before. That is, deep structure effects overrode surface effects. Depending on context conditions, stimulation of additional cognitive processing by instruction had partially positive and partially negative effects. PMID:25465898

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

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

  3. Surface structure of thermionic-emission cathodes

    NASA Astrophysics Data System (ADS)

    Norman, D.; Tuck, R. A.; Skinner, H. B.; Wadsworth, P. J.; Gardiner, T. M.; Owen, I. W.; Richardson, C. H.; Thornton, G.

    1987-02-01

    We have used surface extended x-ray absorption fine structure (SEXAFS) to study the local geometry around barium atoms on thermionic cathodes. On the surfaces of tungsten and tungsten-osmium alloy dispenser cathodes Ba is bonded to oxygen with a well-defined short-range order. The Ba-O distance is similar (2.62+/-0.04 Å) for the two cathodes, with oxygen atoms occupying hollow sites of the substrate. However, the alloy cathode has Ba bonded to two oxygen near neighbors (compared to one for the tungsten cathode), which will enhance the surface dipole, thus explaining the observed lower work function.

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

    SciTech Connect

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

    NASA Astrophysics Data System (ADS)

    Tripathi, A. K.; Singhal, R. P.; Khazanov, G. V.; Avanov, L. A.

    2016-04-01

    Electron pitch angle (Dαα) and momentum (Dpp) 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 Dαα and Dpp 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 Dpp diffusion coefficient for ECH waves is one to two orders smaller than Dαα coefficients. For chorus waves, Dpp coefficients are about an order of magnitude smaller than Dαα coefficients for the case n ≠ 0. In case of Landau resonance, the values of Dpp coefficient are generally larger than the values of Dαα 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, whereas for whistler mode waves, the frequencies have been calculated for angle 10° and Landau resonance. Further, in ECH waves, the banded structures appear for electron energies ≥1 keV, and for whistler mode chorus waves, structures appear for energies >2 keV at L = 4.6 and above 200 eV for L = 6.8. The results obtained in the present work will be helpful in the study of diffusion curves and will have important consequences for diffuse aurora and pancake distributions.

  6. Vibrational structure of the alkali metal surfaces

    NASA Astrophysics Data System (ADS)

    Wilson, R.; Riffe, D. M.

    2009-10-01

    Many physical properties of solids are phonon dependent. While numerous theoretical and experimental investigations have successfully characterized bulk vibrational structure, further characterization of surface phonons is needed. The behavior of surface phonons is important to the understanding of nano-structures, the interpretation of experimental measurements used to study solids, and the understanding of a variety of physical phenomena that solids exhibit. We present the calculation of vibrational modes on the (110) and (100) of alkali metal surfaces with the use of an Embedded Atom Method (EAM) inter-atomic potential. Vibrational dependent properties in the bulk that are calculated by the EAM potential are in good agreement with experiment, providing credibility to the EAM potential's accuracy. Surface properties such as entropy, specific heat, vibrational density of states, and Debye temperatures are calculated from the vibrational modes. The surface phonons are found to be highly polarized, resulting in anisotropic thermal behavior at and near the surface. A database of bulk and surface Debye temperatures is being created as a resource.

  7. Interacting quasi-band model for electronic states in compound semiconductor alloys: Zincblende structure

    NASA Astrophysics Data System (ADS)

    Shinozuka, Yuzo; Oda, Masato

    2015-09-01

    The interacting quasi-band model proposed for electronic states in simple alloys is extended for compound semiconductor alloys with general lattice structures containing several atoms per unit cell. Using a tight-binding model, a variational electronic wave function for quasi-Bloch states yields a non-Hermitian Hamiltonian matrix characterized by matrix elements of constituent crystals and concentration of constituents. Solving secular equations for each k-state yields the alloy’s energy spectrum for any type of randomness and arbitrary concentration. The theory is used to address III-V (II-VI) alloys with a zincblende lattice with crystal band structures well represented by the sp3s* model. Using the resulting 15 × 15 matrix, the concentration dependence of valence and conduction bands is calculated in a unified scheme for typical alloys: Al1-xGaxAs, GaAs1-xPx, and GaSb1-xPx. Results agree well with experiments and are discussed with respect to the concentration dependence, direct-indirect gap transition, and band-gap-bowing origin.

  8. Branch-point energies and the band-structure lineup at Schottky contacts and heterostrucures

    NASA Astrophysics Data System (ADS)

    Mönch, Winfried

    2011-06-01

    Empirical branch-point energies of Si, the group-III nitrides AlN, GaN, and InN, and the group-II and group-III oxides MgO, ZnO, Al2O3 and In2O3 are determined from experimental valance-band offsets of their heterostructures. For Si, GaN, and MgO, these values agree with the branch-point energies obtained from the barrier heights of their Schottky contacts. The empirical branch-point energies of Si and the group-III nitrides are in very good agreement with results of previously published calculations using quite different approaches such as the empirical tight-binding approximation and modern electronic-structure theory. In contrast, the empirical branch-point energies of the group-II and group-III oxides do not confirm the respective theoretical results. As at Schottky contacts, the band-structure lineup at heterostructures is also made up of a zero-charge-transfer term and an intrinsic electric-dipole contribution. Hence, valence-band offsets are not equal to the difference of the branch-point energies of the two semiconductors forming the heterostructure. The electric-dipole term may be described by the electronegativity difference of the two solids in contact. A detailed analysis of experimental Si Schottky barrier heights and heterostructure valence-band offsets explains and proves these conclusions.

  9. Microstructure and electronic band structure of pulsed laser deposited iron fluoride thin film for battery electrodes.

    PubMed

    Santos-Ortiz, Reinaldo; Volkov, Vyacheslav; Schmid, Stefan; Kuo, Fang-Ling; Kisslinger, Kim; Nag, Soumya; Banerjee, Rajarshi; Zhu, Yimei; Shepherd, Nigel D

    2013-04-10

    Battery electrodes in thin-film form are free of the binders used with traditional powder electrodes and present an ideal platform to obtain basic insight to the evolution of the electrode-electrolyte interface passivation layer, the formation of secondary phases, and the structural underpinnings of reversibility. This is particularly relevant to the not yet fully understood conversion electrode materials, which possess enormous potential for providing transformative capacity improvements in next-generation lithium-ion batteries. However, this necessitates an understanding of the electronic charge transport properties and band structure of the thin films. This work presents an investigation of the electron transport properties of iron fluoride (FeF2) thin-film electrodes for Li-ion batteries. FeF2 thin films were prepared by pulsed-laser deposition, and their phase purity was characterized by electron microscopy and diffraction. The grown materials are polycrystalline FeF2 with a P42/mnm crystallographic symmetry. Room-temperature Hall measurements reveal that as-deposited FeF2 is n-type: the Hall coefficients were negative, electron mobility was 0.33 cm2/(V s) and resistivity was 0.255 Ω cm. The electronic band diagram of FeF2 was obtained using a combination of ultraviolet photoelectron spectroscopy, photoluminescence, photoluminescence excitation and optical absorption, which revealed that FeF2 is a direct bandgap, n-type semiconductor whose band structure is characterized by a 3.4 eV bandgap, a workfunction of ∼4.51 eV, and an effective Fermi level that resides approximately 0.22 eV below the conduction band edge. We propose that the shallow donor levels at 0.22 eV are responsible for the measured n-type conductivity. The band diagram was used to understand electron transport in FeF2 thin film and FeF2-C composite electrodes. PMID:23402585

  10. Spherical silicon-shell photonic band gap structures fabricated by laser-assisted chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Wang, H.; Yang, Z. Y.; Lu, Y. F.

    2007-02-01

    Laser-assisted chemical vapor deposition was applied in fabricating three-dimensional (3D) spherical-shell photonic band gap (PBG) structures by depositing silicon shells covering silica particles, which had been self-assembled into 3D colloidal crystals. The colloidal crystals of self-assembled silica particles were formed on silicon substrates using the isothermal heating evaporation approach. A continuous wave Nd:YAG laser (1064nm wavelength) was used to deposit silicon shells by thermally decomposing disilane gas. Periodic silicon-shell/silica-particle PBG structures were obtained. By removing the silica particles enclosed in the silicon shells using hydrofluoric acid, hollow spherical silicon-shell arrays were produced. This technique is capable of fabricating structures with complete photonic band gaps, which is predicted by simulations with the plane wave method. The techniques developed in this study have the potential to flexibly engineer the positions of the PBGs by varying both the silica particle size and the silicon-shell thickness. Ellipsometry was used to investigate the specific photonic band gaps for both structures.

  11. Dynamics of banded materials and structures: Analysis, design and computation in multiple scales

    NASA Astrophysics Data System (ADS)

    Hussein, Mahmoud Ismail

    Within periodically heterogeneous structures, wave scattering and dispersion occur across constituent material interfaces inducing mechanisms of constructive and destructive interference that lead to a banded frequency response. These phenomena are studied and utilized towards developing composite materials and structures with tailored frequency-dependent dynamical characteristics. In the first part of the thesis, time and frequency domain analyses of linear elastic wave motion in infinite and finite periodic, or partially periodic, structures are conducted using analytical (transfer matrix) and numerical (finite element and finite difference) methods. Both single and multi-dimensional models are considered. Conformity of the frequency band structure between infinite and finite periodic systems is shown, analyzed, and its conditions established. It is concluded that at least four to five unit cells of a periodic material are required for "frequency bandness" to carry through to a finite structure. Consequences of this result on the dynamical characteristics of finite fully/partially periodic structures are studied especially in the contexts of resonance properties and mode localization. It is shown that significant wave attenuation is realizable at stop-band frequencies, and the converse is true at pass bands. Motivated by this outcome, a novel multiscale design methodology is developed whereby periodic materials are synthesized, and subsequently used as building blocks for forming, at a larger length scale, finite bounded structures. Applications are presented for vibration minimization, vibration/shock isolation, waveguiding, frequency filtering, and control of velocities of wave propagation. The designed structures are more amenable to manufacturing compared to counterparts generated via traditional topology optimization methods. In the second part of the dissertation, a multiscale, global-local, finite element based computational methodology is developed for high frequency dispersive modeling of periodic materials. Rooted in an available two-field assumed strain variational formulation, a method is proposed that introduces mode projections selected in both the temporal and spatial frequency domains. Along with controllable extendibility to higher frequencies, and improvements in accuracy, the new method provides substantial savings in computational cost compared to the original reduction technique. An order of magnitude in savings is achieved for large problems compared to direct application of the finite element method.

  12. Surface Relief and Internal Structure in Fatigued Stainless Sanicro 25 Steel

    NASA Astrophysics Data System (ADS)

    Polák, Jaroslav; Mazánová, Veronika; Kuběna, Ivo; Heczko, Milan; Man, Jiří

    2016-02-01

    High-resolution images of persistent slip markings developed on the surface of Sanicro 25 stainless steel during cyclic loading obtained from the FIB-produced surface lamella in TEM simultaneously with the underlying dislocation structure are reported. Extrusions, intrusions, incipient cracks, and the dislocation arrangement corresponding to the bands of intensive cyclic slip are documented and discussed in relation to the models of surface relief formation in cyclic loading.

  13. Surface Relief and Internal Structure in Fatigued Stainless Sanicro 25 Steel

    NASA Astrophysics Data System (ADS)

    Polák, Jaroslav; Mazánová, Veronika; Kuběna, Ivo; Heczko, Milan; Man, Jiří

    2016-05-01

    High-resolution images of persistent slip markings developed on the surface of Sanicro 25 stainless steel during cyclic loading obtained from the FIB-produced surface lamella in TEM simultaneously with the underlying dislocation structure are reported. Extrusions, intrusions, incipient cracks, and the dislocation arrangement corresponding to the bands of intensive cyclic slip are documented and discussed in relation to the models of surface relief formation in cyclic loading.

  14. The Glacier and Ice Surface Topography Interferometer: UAVSAR's Single-pass Ka-Band Interferometer

    NASA Astrophysics Data System (ADS)

    Moller, D.; Hensley, S.; Sadowy, G.; Wu, X.; Carswell, J.; Fisher, C.; Michel, T.; Lou, Y.

    2012-12-01

    In May 2009 a new radar technique for mapping ice surface topography was demonstrated in a Greenland campaign as part of the NASA International Polar Year (IPY) activities. This was achieved with the airborne Glacier and Ice Surface Topography Interferometer (GLISTIN-A): a 35.6 GHz single-pass interferometer. Although the technique of using radar interferometry for mapping terrain has been demonstrated before, this is the first such application at millimeter-wave frequencies. The proof-of-concept demonstration was achieved by interfacing Ka-band RF and antenna hardware with the Uninhabited Airborne Vehicle Synthetic Aperture Radar (UAVSAR). The GLISTIN-A was implemented as a custom installation of the NASA Dryden Flight Research Center Gulfstream III. Instrument performance indicates swath widths over the ice between 5-7km, with height precisions ranging from 30cm-3m at a posting of 3m x 3m. Processing challenges were encountered in achieving the accuracy requirements on several fronts including, aircraft motion sensitivity, multipath and systematic drifts. However, through a combination of processor optimization, a modified phase-screen and motion-compensation implementations were able to minimize the impact of these systematic error sources. We will present results from the IPY data collections including system performance evaluations and imagery. This includes a large area digital elevation model (DEM) collected over Jakobshavn glacier as an illustrative science data product. Further, by intercomparison with the NASA Wallops Airborne Topographic Mapper (ATM) and calibration targets we quantify the interferometric penetration bias of the Ka-band returns into the snow cover. Following the success of the IPY campaign, we are funded under the Earth Science Techonology Office (ESTO) Airborne Innovative Technology Transition (AITT) program to transition GLISTIN-A to a permanently-available pod-only system compatible with unpressurized operation. In addition fundamental system upgrades will greatly enhance the performance and make wider-swath and higher altitude operation possible. We will show results from first flights of GLISTIN-A and summarize the plans for the near future including GLISTIN-H: GLISTIN on the NASA Global Hawk Spring 2013.

  15. Structural vs electronic origin of renormalized band widths in TTF-TCNQ: An angular dependent NEXAFS study

    SciTech Connect

    Sing, M.; Meyer, J.; Glawion, S.; Claessen, R.; Hoinkis, M.; Blaha, P.; Gavrila, G.; Jacobsen, C. S.

    2007-12-15

    We have performed angle-dependent near-edge x-ray absorption fine structure measurements in the Auger electron yield mode on the correlated quasi-one-dimensional organic conductor tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) in order to determine the orientation of the molecules in the topmost surface layer. We find that the tilt angles of the molecules with respect to the one-dimensional axis are essentially the same as in the bulk. Thus, we can rule out surface relaxation as the origin of the renormalized band widths which were inferred from the analysis of photoemission data within the one-dimensional Hubbard model. Thereby, recent theoretical results are corroborated which invoke long-range Coulomb repulsion as alternative explanation to understand the spectral dispersions of TTF-TCNQ quantitatively within an extended Hubbard model.

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

    PubMed

    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. PMID:26066732

  17. Spectral and polarization structure of field-induced photonic bands in cholesteric liquid crystals.

    PubMed

    Palto, S P; Barnik, M I; Geivandov, A R; Kasyanova, I V; Palto, V S

    2015-09-01

    Transmission of planar layers of cholesteric liquid crystals is studied in pulsed electric fields perpendicular to the helix axis at normal incidence of both linearly polarized and unpolarized light. Spectral and light polarization properties of the primary photonic band and the field-induced bands up to fourth order of Bragg selective reflection are studied in detail. In our experiments we have achieved an electric field strength several times higher than the theoretical values corresponding to the critical field of full helix unwinding. However, the experiments show that despite the high strength of the electric field applied the helix does not unwind, but strongly deforms, keeping its initial spatial period. Strong helix deformation results in distinct spectral band splitting, as well as very high field-induced selective reflectance that can be applied in lasers and other optoelectronic devices. Peculiarities of inducing and splitting the bands are discussed in terms of the scattering coefficient approach. All observed effects are confirmed by numerical simulations. The simulations also show that liquid crystal surface anchoring is not the factor that prevents the helix unwinding. Thus, the currently acknowledged concept of continuous helix unwinding in the electric field should be reconsidered. PMID:26465485

  18. Spectral and polarization structure of field-induced photonic bands in cholesteric liquid crystals

    NASA Astrophysics Data System (ADS)

    Palto, S. P.; Barnik, M. I.; Geivandov, A. R.; Kasyanova, I. V.; Palto, V. S.

    2015-09-01

    Transmission of planar layers of cholesteric liquid crystals is studied in pulsed electric fields perpendicular to the helix axis at normal incidence of both linearly polarized and unpolarized light. Spectral and light polarization properties of the primary photonic band and the field-induced bands up to fourth order of Bragg selective reflection are studied in detail. In our experiments we have achieved an electric field strength several times higher than the theoretical values corresponding to the critical field of full helix unwinding. However, the experiments show that despite the high strength of the electric field applied the helix does not unwind, but strongly deforms, keeping its initial spatial period. Strong helix deformation results in distinct spectral band splitting, as well as very high field-induced selective reflectance that can be applied in lasers and other optoelectronic devices. Peculiarities of inducing and splitting the bands are discussed in terms of the scattering coefficient approach. All observed effects are confirmed by numerical simulations. The simulations also show that liquid crystal surface anchoring is not the factor that prevents the helix unwinding. Thus, the currently acknowledged concept of continuous helix unwinding in the electric field should be reconsidered.

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

    SciTech Connect

    Conde, M.; Yusof, Z.; Power, J. G.; Jing, C.; Gao, F.; Antipov, S.; Xu, P.; Zheng, S.; Chen, H.; Tang, C.; Gai, W.; High Energy Physics; Euclid Techlabs LLC; Tsinghua Univ.

    2009-12-01

    Wakefield excitation has been experimentally studied in a three-cell X-band standing wave photonic band gap (PBG) accelerating structure. Major monopole (TM{sub 01}- and TM{sub 02}-like) and dipole (TM{sub 11}- and TM{sub 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 {approx}10 times smaller than that of the accelerating mode. A charge sweep, up to 80 nC, has been performed, equivalent to {approx} 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.

  20. Observations of LHR noise with banded structure by the sounding rocket S29 barium-GEOS

    NASA Technical Reports Server (NTRS)

    Koskinen, H. E. J.; Holmgren, G.; Kintner, P. M.

    1983-01-01

    The measurement of electrostatic noise near the lower hybrid frequency made by the sounding rocket S29 barium-GEOS is reported. The noise is related to the spin of the rocket and reaches well below the local lower hybrid resonance frequency. Above the altitude of 300 km the noise shows banded structure roughly organized by the hydrogen cyclotron frequency. Simultaneously with the banded structure a signal near the hydrogen cyclotron frequency is detected. This signal is also spin modulated. The character of the noise strongly suggests that it is locally generated by the rocket payload disturbing the plasma. If this interpretation is correct, plasma wave experiments on other spacecrafts are expected to observe similar phenomena.

  1. Band structure and optical properties of amber studied by first principles

    NASA Astrophysics Data System (ADS)

    Rao, Zhi-Fan; Zhou, Rong-Feng

    2013-03-01

    The band structure and density of states of amber is studied by the first principles calculation based on density of functional theory. The complex structure of amber has 214 atoms and the band gap is 5.0 eV. The covalent bond is combined C/O atoms with H atoms. The O 2p orbital is the biggest effect near the Fermi level. The optical properties' results show that the reflectivity is low, and the refractive index is 1.65 in visible light range. The highest absorption coefficient peak is at 172 nm and another higher peak is at 136 nm. These convince that the amber would have a pretty sheen and that amber is a good and suitable crystal for jewelry and ornaments.

  2. Photonic band structures solved by a plane-wave-based transfer-matrix method.

    PubMed

    Li, Zhi-Yuan; Lin, Lan-Lan

    2003-04-01

    Transfer-matrix methods adopting a plane-wave basis have been routinely used to calculate the scattering of electromagnetic waves by general multilayer gratings and photonic crystal slabs. In this paper we show that this technique, when combined with Bloch's theorem, can be extended to solve the photonic band structure for 2D and 3D photonic crystal structures. Three different eigensolution schemes to solve the traditional band diagrams along high-symmetry lines in the first Brillouin zone of the crystal are discussed. Optimal rules for the Fourier expansion over the dielectric function and electromagnetic fields with discontinuities occurring at the boundary of different material domains have been employed to accelerate the convergence of numerical computation. Application of this method to an important class of 3D layer-by-layer photonic crystals reveals the superior convergency of this different approach over the conventional plane-wave expansion method. PMID:12786509

  3. Control of Spin Wave Band Structure and Propagation in Two-Dimensional Magnonic Crystals

    NASA Astrophysics Data System (ADS)

    Sietsema, Glade; Flatté, Michael E.

    2015-03-01

    We have studied the properties of spin waves in two-dimensional magnonic crystals consisting of a magnetic material arranged in a lattice of cylinders and embedded in a second magnetic material. Dispersion curves, linewidths, and spin wave propagation patterns were obtained from the Landau-Lifshitz-Gilbert equation using the plane wave expansion method. We have examined how these results are affected by various parameters including the shape of the cylinders, the lattice structure, the material properties, and the spin-orbit interaction. Adjusting these values can open or close band gaps and drastically shift the frequency range of the band structure. The spin wave propagation patterns were found to exhibit high directionality dependent on the excitation frequency and can also be modified with the aforementioned parameters. This work was supported in part by DARPA/MESO and by C-SPIN, one of six centers of STARnet, a Semiconductor Research Corporation program, sponsored by MARCO and DARPA.

  4. Ultrafast band-structure variations induced by fast Au ions in BeO

    NASA Astrophysics Data System (ADS)

    Schiwietz, G.; Czerski, K.; Grande, P. L.; Koteski, V.; Staufenbiel, F.

    2011-05-01

    Auger-electron spectra associated with Be atoms in the pure metal lattice and in an oxide have been investigated for 1.8 MeV/u 129Au 41+ ions and 2.7 keV primary electrons. The excitation and local energy transfer by such fast primary particles in solids is dominated by electronic processes. The electron-induced spectrum is compared to calculated band-structure results and it is relatively well understood. For the heavy-ion case, however, we observe a significant variation of the Auger electron spectrum, related to a variation of the electronic band structure. This spectrum points to a formation of a metal-like meta-stable electronic density of states.

  5. Modelling and simulation of dynamic anisotropic degradation of structures under adiabatic shear banding

    NASA Astrophysics Data System (ADS)

    Longère, P.; Dragon, A.; Trumel, H.; Deprince, X.

    2006-08-01

    The present work deals with the three-dimensional modelling of the behaviour of structural metallic materials allowing for adiabatic shear banding (ASB) as a mode of dynamic failure precursor. The anisotropic deterioration induced in the material by the presence of the bands is described via the concept of a “super dislocation” (see [6-8]) in the context of large viscoplastic deformation. The model accounts for strain hardening, thermal softening, rate sensitivity and includes ASB-induced anisotropy and softening in the post-critical stage. The onset of dynamic plastic localization in the form of ASB is controlled by a energy release rate threshold obtained from a linear perturbation method based analysis. 3D numerical simulations of the dynamic shearing of a hat shape structure (HSS) have been performed employing the code LS-DYNA and compared with experimental observations. The confrontation between numerical and experimental results constitutes the primary objective of this paper.

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

    PubMed

    Krawczyk, M; Grundler, D

    2014-03-26

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

  7. Effective band structure of Ru-doped BaFe2As2

    NASA Astrophysics Data System (ADS)

    Reticcioli, M.; Profeta, G.; Franchini, C.; Continenza, A.

    2016-02-01

    The use of lattice cells in real space that are arbitrarily larger than the primitive one, is nowadays more and more often required by ab initio calculations to study disorder, vacancy or doping effects in real materials. This leads, however, to complex band structures which are hard to interpret. Therefore an unfolding procedure is sought for in order to obtain useful data, directly comparable with experimental results, such as angle-resolved photoemission spectroscopy measurements. Here, we present an extension of the unfolding procedure recently implemented in the VASP code, which includes a projection scheme that leads to a full reconstruction of the primitive space. As a test case, we apply this newly implemented scheme to the Ru-doped BaFe2As2 superconducting compound. The results provide a clear description of the effective electronic band structure in the conventional Brillouin zone, highlighting the crucial role played by doping in this compound.

  8. Band structure of the four pentacene polymorphs and effect on the hole mobility at low temperature.

    PubMed

    Troisi, Alessandro; Orlandi, Giorgio

    2005-02-10

    The band structure of the four known polymorphs of pentacene is computed from first principles using the accurate molecular orbitals of the isolated molecule as the basis for the calculation of the crystalline orbitals. The computed bands are remarkably different for each polymorph, but their diversity can be easily rationalized using a simple analytical model that employs only three parameters. The effect of the electronic structure on the hole mobility was evaluated using a simple model based on the constant relaxation time approximation. It is found that the mobility tensor is highly anisotropic for three of the four considered polymorphs. The practical implication of this prediction on the technology of thin-film organic transistors is discussed. PMID:16851167

  9. Three-dimensional ordered particulate structures: Method to retrieve characteristics from photonic band gap data

    NASA Astrophysics Data System (ADS)

    Miskevich, Alexander A.; Loiko, Valery A.

    2015-01-01

    A method to retrieve characteristics of ordered particulate structures, such as photonic crystals, is proposed. It is based on the solution of the inverse problem using data on the photonic band gap (PBG). The quasicrystalline approximation (QCA) of the theory of multiple scattering of waves and the transfer matrix method (TMM) are used. Retrieval of the refractive index of particles is demonstrated. Refractive indices of the artificial opal particles are estimated using the published experimental data.

  10. Very broad-band structure and emission by hydrogenated amorphous carbon

    NASA Astrophysics Data System (ADS)

    Duley, W. W.; Whittet, D. C. B.

    1990-01-01

    New laboratory data show that an efficient broad-band luminescence is emitted by hydrogenated amorphous carbon (HAC) solids with large hydrogen content. The peak wavelength and spectral extent of this emission closely coincides with the wavelength dependence of the very broad structure (VBS). It is suggested that a polymeric form of HAC may be present in diffuse clouds. Emission from this material should be observable in the spectrum of the diffuse galactic light.

  11. Analysis of tunable photonic band structure in an extrinsic plasma photonic crystal

    NASA Astrophysics Data System (ADS)

    King, Tzu-Chyang; Yang, Chih-Chiang; Hsieh, Pei-Hung; Chang, Tsung-Wen; Wu, Chien-Jang

    2015-03-01

    In this work, we theoretically investigate the tunable photonic band structure (PBS) for an extrinsic plasma photonic crystal (PPC). The extrinsic PPC is made of a bulk cold plasma layer which is influenced by an externally periodic static magnetic field. The PBS can be tuned by the variation of the magnitude of externally applied magnetic field. In addition, we also show that the PBS can be changed as a function of the electron density as well as the thickness variation.

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

    PubMed

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

    2014-09-22

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

  13. Shape optimization of phononic band gap structures incorporating inertial amplification mechanisms

    NASA Astrophysics Data System (ADS)

    Yuksel, Osman; Yilmaz, Cetin

    2015-10-01

    The aim of this study is to obtain a wide and deep phononic gap at low frequencies in a two-dimensional periodic solid structure with embedded inertial amplification mechanisms. Size and shape optimizations are performed on the building block mechanism of the periodic structure to maximize phononic gap (stop band) width and depth. It is shown that shape optimization offers a wider and deeper gap, when both size and shape optimized mechanisms have the same mass and stiffness values. Analysis of the shape optimized mechanism is carried out using two different finite element models, one using beam elements and the other using shell elements. Both models produced similar results for the stop band width and depth. A two-dimensional periodic structure is constructed with the shape optimized building block mechanisms. Moreover, experimental and numerical frequency response results of this periodic structure are obtained. The matching frequency response results indicate that the two-dimensional periodic structure has a wide and deep phononic gap for in-plane excitations. Furthermore, due to proper selection of the out-of-plane thickness of the periodic structure, out-of-plane vibration modes do not occur within the phononic gap.

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

    NASA Astrophysics Data System (ADS)

    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.

  15. Quasiparticle band structures and thermoelectric transport properties of p-type SnSe

    SciTech Connect

    Shi, Guangsha; Kioupakis, Emmanouil

    2015-02-14

    We used density functional and many-body perturbation theory to calculate the quasiparticle band structures and electronic transport parameters of p-type SnSe both for the low-temperature Pnma and high-temperature Cmcm phases. The Pnma phase has an indirect band gap of 0.829 eV, while the Cmcm has a direct band gap of 0.464 eV. Both phases exhibit multiple local band extrema within an energy range comparable to the thermal energy of carriers from the global extrema. We calculated the electronic transport coefficients as a function of doping concentration and temperature for single-crystal and polycrystalline materials to understand the previous experimental measurements. The electronic transport coefficients are highly anisotropic and are strongly affected by bipolar transport effects at high temperature. Our results indicate that SnSe exhibits optimal thermoelectric performance at high temperature when doped in the 10{sup 19}–10{sup 20 }cm{sup −3} range.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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

    2016-02-12

    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. PMID:26918995

  18. Large band gaps in two-dimensional phononic crystals with self-similarity structure

    NASA Astrophysics Data System (ADS)

    Gao, Nansha; Wu, Jiu Hui; Yu, Lie

    2015-11-01

    In this paper, we study the band gaps (BGs) of two-dimensional (2D) phononic crystals (PCs) composed of self-similarity shape inclusions embedded in the homogenous matrix. The dispersion relations, transmission spectra, and displacement fields of eigenmodes of the proposed structures are calculated by use of finite element method. Due to the simultaneous mechanisms of the Bragg scattering, the structure can exhibit low-frequency BGs, which can be effectively shifted by changing the geometries and degree of the self-similarity structure. The BGs are significantly dependent upon the geometrical parameters and degree of the self-similarity structure. It is concluded that, the PCs with self-similarity structure, can modulate the location and width of BGs. But it must be pointed out, the shape of self-similarity inclusion exercises a great influence on the BGs. The study in this paper is relevant to the design of tuning BGs and isolators in the low-frequency range.

  19. FROM THE CURRENT LITERATURE: Electron structure of surfaces of nontransition metals

    NASA Astrophysics Data System (ADS)

    Vekilov, Yurii Kh; Verner, V. D.; Samsonova, M. B.

    1987-02-01

    An account is given of the current status of research on the energy band structure and some physical properties of crystalline surfaces of nontransition metals: alkali and alkaline earth metals, those with the hcp structure, and aluminum. The characteristics and properties of the surface states and resonances, which can be used to distinguish them from the bulk energy spectrum both in experimental investigations and in calculations by various methods, are described. The results of calculations of the work function and surface energy are presented in summary form. The problems concerning relaxation of the surfaces are discussed.

  20. Surface leakage reduction in narrow band gap type-II antimonide-based superlattice photodiodes

    SciTech Connect

    Huang, Edward Kwei-wei; Hoffman, Darin; Nguyen, Binh-Minh; Delaunay, Pierre-Yves; Razeghi, Manijeh

    2009-02-02

    Inductively coupled plasma (ICP) dry etching rendered structural and electrical enhancements on type-II antimonide-based superlattices compared to those delineated by electron cyclotron resonance (ECR) with a regenerative chemical wet etch. The surface resistivity of 4x10{sup 5} {omega} cm is evidence of the surface quality achieved with ICP etching and polyimide passivation. By only modifying the etching technique in the fabrication steps, the ICP-etched devices with a 9.3 {mu}m cutoff wavelength revealed a diffusion-limited dark current density of 4.1x10{sup -6} A/cm{sup 2} and a maximum differential resistance at zero bias in excess of 5300 {omega} cm{sup 2} at 77 K, which are an order of magnitude better in comparison to the ECR-etched devices.

  1. Fracture Induced Sub-Band Absorption as a Precursor to Optical Damage on Fused Silica Surfaces

    SciTech Connect

    Miller, P E; Bude, J D; Suratwala, T I; Shen, N; Laurence, T A; Steele, W A; Menapace, J; Feit, M D; Wong, L L

    2010-03-05

    The optical damage threshold of indentation induced flaws on fused silica surfaces was explored. Mechanical flaws were characterized by laser damaged testing, SEM, optical, and photoluminescence microscopy. Localized polishing, chemical etching, and the control of indentation morphology were used to isolate the structural features which limit optical damage. A thin defect layer on fracture surfaces, including those smaller than the wavelength of visible light, was found to be the dominant source of laser damage initiation during illumination with 355nm, 3ns laser pulses. Little evidence was found that either displaced or densified material or fluence intensification plays a significant role in optical damage at fluences >35J/cm{sup 2}. Elimination of the defect layer was shown to increase the overall damage performance of fused silica optics.

  2. The Glacier and Ice Surface Topography Interferometer: UAVSAR's Single-pass Ka-Band Interferometer

    NASA Astrophysics Data System (ADS)

    Moller, D.; Hensley, S.; Wu, X.; Michel, T.; Muellerschoen, R.; Carswell, J.; Fisher, C.; Miller, T.; Milligan, L.; Sadowy, G.; Sanchez-Barbetty, M.; Lou, Y.

    2013-12-01

    In May 2009 a new radar technique for mapping ice surface topography was demonstrated in a Greenland campaign as part of the NASA International Polar Year (IPY) activities. This was achieved with the airborne Glacier and Ice Surface Topography Interferometer (GLISTIN-A): a 35.6 GHz single-pass interferometer. The proof-of-concept demonstration was achieved by interfacing Ka-band RF and antenna hardware with the Uninhabited Airborne Vehicle Synthetic Aperture Radar (UAVSAR). The GLISTIN-A was implemented as a custom installation of the NASA Dryden Flight Research Center Gulfstream III. Instrument performance indicated swath widths over the ice between 5-7km, with height precisions ranging from 30cm-3m at a posting of 3m x 3m. Following the success of the IPY campaign, the Earth Science Techonology Office (ESTO) Airborne Innovative Technology Transition (AITT) program funded the upgrade of GLISTIN-A to a permanently-available pod-only system compatible with unpressurized operation. The AITT made three fundamental upgrades to improve system performance: 1. State-of-the-art solid-state power amplifiers (80W peak) were integrated directly on the antenna panel reducing front-end losses; 2. A ping-pong capability was incorporated to effectively double the baseline thereby improving height measurement precision by a factor of two; and 3. A high-fidelity calibration loop was implemented which is critical for routine processing. Upon completion of our engineering flights in February 2013, GLISTIN-A flew a brief campaign to Alaska (4/24-4/27/13). The purpose was to fully demonstrate GLISTIN-A's ability to generate high-precision, high resolution maps of ice surface topography with swaths in excess of 10km. Furthermore, the question of the utility of GLISTIN-A for sea-ice mapping, tracking and inventory has received a great deal of interest. To address this GLISTIN-A collected data over sea-ice in the Beaufort sea including an underflight of CryoSAT II. Note that there are ongoing activities to stage GLISTIN on the Global Hawk (GLISTIN-H) for which sea ice-mapping is a primary driver. Analysis of the data will focus on assessment of performance and interpretation over ice to include: 1. intercomparison of GLISTIN-A glacier height maps with lidar data and heritage SRTM DEM's for performance validation of GLISTIN-A over ice, 2. quantitative evaluation of mass change over the Columbia glacier via repeat observations made by GLISTIN-A with a 3 day separation, 3. assessment of GLISTIN-A's ability map sea ice extent, dynamics and possibly to measure freeboard.

  3. Broad-band ambient noise surface wave tomography: Technique development and application across the United States

    NASA Astrophysics Data System (ADS)

    Bensen, Gregory David

    2007-05-01

    In recent years, it has been shown that surface wave signals can be extracted from high-quality empirical Green functions (EGF) obtained through cross-correlation of long ambient noise timeseries. Early work showed that Rayleigh wave components of EGFs could be created in a narrow period band under certain background noise characteristics. Such Rayleigh wave signals were used to develop shear wave tomography models of several geographic regions with unprecedented high resolution. However, questions remained regarding the robustness of these signals and their range of applicability. My work focuses on two problems. The first is researching the best method for computing, measuring and selecting high-quality EGFs. The second is to use this new technique to create a three-dimensional (3D) velocity model of the continental United States. Testing a variety of temporal and spectral normalization techniques yields an optimal method of creating EGFs. These signals are evaluated for robustness in a variety of noise environments effectively broadening the bandwidth from 7.5-20 s period to 6-100 s period. An automated dispersion measurement technique is presented as well as a preferred method of measurement selection and certain "best practices" are proposed for future study. Applying this method across the continental United States I develop Rayleigh and Love wave group and phase speed dispersion maps from 8-70 s period. The resulting set of dispersion maps possesses unprecedented high resolution and bandwidth for continental scale surface wave investigations and unites diverse tectonic regions into a coherent model. I invert the dispersion maps for a 3D shear velocity model with resolution from the surface to 150 km depth using a two-step procedure. First is a linearized inversion for the best fitting velocity model. Second is a Monte-Carlo re-sampling to develop an ensemble of models of sufficient quality and to generate uncertainty estimates at all points. The resulting velocity model allows identification of prominent features in the crust and mantle and sheds light on topics such as topographic compensation, crustal heterogeneity and radial anisotropy in the crust.

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

    NASA Technical Reports Server (NTRS)

    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, and the single scattering albedo. After this climatological calibration, the modeling system can provide L-band brightness temperatures with a global mean absolute bias of less than 10K against SMOS observations, across multiple incidence angles and for horizontal and vertical polarization. Third, seasonal and regional variations in the residual biases are addressed by estimating the vegetation optical depth through state augmentation during the assimilation of the L-band brightness temperatures. This strategy, tested here with SMOS data, is part of the baseline approach for the Level 4 Surface and Root Zone Soil Moisture data product from the planned Soil Moisture Active Passive (SMAP) satellite mission.

  5. Structure and method for controlling band offset and alignment at a crystalline oxide-on-semiconductor interface

    DOEpatents

    McKee, Rodney A.; Walker, Frederick J.

    2003-11-25

    A crystalline oxide-on-semiconductor structure and a process for constructing the structure involves a substrate of silicon, germanium or a silicon-germanium alloy and an epitaxial thin film overlying the surface of the substrate wherein the thin film consists of a first epitaxial stratum of single atomic plane layers of an alkaline earth oxide designated generally as (AO).sub.n and a second stratum of single unit cell layers of an oxide material designated as (A'BO.sub.3).sub.m so that the multilayer film arranged upon the substrate surface is designated (AO).sub.n (A'BO.sub.3).sub.m wherein n is an integer repeat of single atomic plane layers of the alkaline earth oxide AO and m is an integer repeat of single unit cell layers of the A'BO.sub.3 oxide material. Within the multilayer film, the values of n and m have been selected to provide the structure with a desired electrical structure at the substrate/thin film interface that can be optimized to control band offset and alignment.

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

    PubMed

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

    2016-12-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

  8. Correlation between the surface electronic structure and CO-oxidation activity of Pt alloys.

    PubMed

    Abe, Hideki; Yoshikawa, Hideki; Umezawa, Naoto; Xu, Ya; Saravanan, Govindachetty; Ramesh, Gubbala V; Tanabe, Toyokazu; Kodiyath, Rajesh; Ueda, Shigenori; Sekido, Nobuaki; Yamabe-Mitarai, Yoko; Shimoda, Masahiko; Ohno, Takahisa; Matsumoto, Futoshi; Komatsu, Takayuki

    2015-02-21

    The surface electronic structure and CO-oxidation activity of Pt and Pt alloys, Pt3T (T = Ti, Hf, Ta, Pt), were investigated. At temperatures below 538 K, the CO-oxidation activities of Pt and Pt3T increased in the order Pt < Pt3Ti < Pt3hHf < Pt3Ta. The center-of-gravity of the Pt d-band (the d-band center) of Pt and Pt3T was theoretically calculated to follow the trend Pt3Ti < Pt3Ta < Pt3Hf < Pt. The CO-oxidation activity showed a volcano-type dependence on the d-band center, where Pt3Ta exhibited a maximum in activity. Theoretical calculations demonstrated that the adsorption energy of CO on the catalyst surface monotonically decreases with the lowering of the d-band center because of diminished hybridization of the surface d-band and the lowest-unoccupied molecular orbital (LUMO) of CO. The observed volcano-type correlation between the d-band center and the CO oxidation activity is rationalized in terms of the CO adsorption energy, which counterbalances the surface coverage by CO and the rate of CO oxidation. PMID:25271906

  9. Superhydrophobic Behavior on Nano-structured Surfaces

    NASA Astrophysics Data System (ADS)

    Schaeffer, Daniel

    2008-05-01

    Superhydrophobic behavior is observed in natural occurrences and has been thoroughly studied over the past few years. Water repellant properties on uniform arrays of vertically aligned nano-cones were investigated to determine the highest achievable contact angle (a measure of water drop repellency), which is measured from the reference plane on which the water drop sits to the tangent line of the point at which the drop makes contact with the reference plane. At low aspect ratios (height vs. width of the nano-cones), surface tension pulls the water into the nano-cone array, resulting in a wetted surface. Higher aspect ratios reverse the effect of the surface tension, resulting in a larger contact angle that causes water drops to roll off the surface. Fiber drawing, bundling, and redrawing are used to produce the structured array glass composite surface. Triple-drawn fibers are fused together, annealed, and sliced into thin wafers. The surface of the composite glass is etched to form nano-cones through a differential etching process and then coated with a fluorinated self-assembled monolayer (SAM). Cone aspect ratios can be varied through changes in the chemistry and concentration of the etching acid solution. Superhydrophobic behavior occurs at contact angles >150 and it is predicted and measured that optimal behavior is achieved when the aspect ratio is 4:1, which displays contact angles >=175 .

  10. Photonic band structure and effective medium properties of doubly-resonant core-shell metallo-dielectric nanowire arrays: low-loss, isotropic optical negative-index behavior

    NASA Astrophysics Data System (ADS)

    Abujetas, D. R.; Paniagua-Domínguez, R.; Nieto-Vesperinas, M.; Sánchez-Gil, J. A.

    2015-12-01

    We investigate theoretically and numerically the photonic band structure in the optical domain of an array of core-shell metal-semiconductor nanowires. Corresponding negative-index photonic bands are calculated, showing isotropic equifrequency surfaces. The effective (negative) electric permittivity and magnetic permeability, retrieved from S-parameters, are used to compare the performance of such nanowire arrays with homogeneous media in canonical examples, such as refraction through a prism and flat-lens focusing. Very good agreement is found, confirming the effective medium behavior of the nanowire array as a low-loss, isotropic (2D) and bulk, optical negative index metamaterial. Indeed, disorder is introduced to further stress its robustness.

  11. Quasi-particle band structure of potassium-doped few-layer black phosphorus with GW approximation

    NASA Astrophysics Data System (ADS)

    Kim, Han-Gyu; Baik, Seung Su; Choi, Hyoung Joon

    We calculate the quasi-particle band structure of pristine and potassium-doped black phosphorus (BP) by using the GW approximation. We obtain band gaps of pristine bulk and few-layer BP and compare them with the result of the density functional calculations and experimental measurements. For potassium-doped cases, we calculate the electronic band structure of potassium-doped few-layer BPs with various doping densities. We obtain the critical doping density for the band-gap closing, and the energy-band dispersions when the band gap is inverted. We discuss Dirac semimetal properties of doped few-layer BPs obtained by the GW approximation. This work was supported by NRF of Korea (Grant No. 2011-0018306) and KISTI supercomputing center (Project No. KSC-2015-C3-039).

  12. BoltzTraP. A code for calculating band-structure dependent quantities

    NASA Astrophysics Data System (ADS)

    Madsen, Georg K. H.; Singh, David J.

    2006-07-01

    A program for calculating the semi-classic transport coefficients is described. It is based on a smoothed Fourier interpolation of the bands. From this analytical representation we calculate the derivatives necessary for the transport distributions. The method is compared to earlier calculations, which in principle should be exact within Boltzmann theory, and a very convincing agreement is found. Program summaryTitle of program:BoltzTraP Catalogue identifier:ADXU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXU_v1_0 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions:none Programming language used:Fortran 90 Computer:The program should work on any system with a F90 compiler. The code has been tested with the Intel Fortran compiler Operating system:Unix/Linux RAM:bytes up to 2 GB for low symmetry, small unit cell structures No. of lines in distributed program, including test data, etc.:1 534 213 No. of bytes in distributed program, including test data, etc.:27 473 227 Distribution format:tar.gz External routines:The LaPack and Blas libraries are needed Nature of problem:Analytic expansion of energy-bands. Calculation of semi-classic integrals. Solution method:Smoothed Fourier expansion of bands. Running time:Up to 3 hours for low symmetry, small unit cell structures.

  13. Crustal Structure Beneath Taiwan Using Frequency-band Inversion of Receiver Function Waveforms

    NASA Astrophysics Data System (ADS)

    Tomfohrde, D. A.; Nowack, R. L.

    Receiver function analysis is used to determine local crustal structure beneath Taiwan. We have performed preliminary data processing and polarization analysis for the selection of stations and events and to increase overall data quality. Receiver function analysis is then applied to data from the Taiwan Seismic Network to obtain radial and transverse receiver functions. Due to the limited azimuthal coverage, only the radial receiver functions are analyzed in terms of horizontally layered crustal structure for each station. In order to improve convergence of the receiver function inversion, frequency-band inversion (FBI) is implemented, in which an iterative inversion procedure with sequentially higher low-pass corner frequencies is used to stabilize the waveform inversion. Frequency-band inversion is applied to receiver functions at six stations of the Taiwan Seismic Network. Initial 20-layer crustal models are inverted for using prior tomographic results for the initial models. The resulting 20-1ayer models are then simplified to 4 to 5 layer models and input into an alternating depth and velocity frequency-band inversion. For the six stations investigated, the resulting simplified models provide an average estimate of 38 km for the Moho thickness surrounding the Central Range of Taiwan. Also, the individual station estimates compare well with the recent tomographic model of and the refraction results of Rau and Wu (1995) and the refraction results of Ma and Song (1997).

  14. Crystal structure, conformation, vibration and optical band gap analysis of bis[ rac-propranolol nitrate

    NASA Astrophysics Data System (ADS)

    Franklin, S.; Balasubramanian, T.; Nehru, K.; Kim, Youngmee

    2009-06-01

    The crystal structure of the title rac-propranolol salt, CHNO2+·NO3-, consists of two protonated propranolol residues and nitrate anions. Three virtually flat fragments, characteristics of most of the β-adrenolytics with oxy-methylene bridge are present in both the cations (A and B). The plane of the propranolol chain is twisted with respect to the plane of the aromatic ring in both the cations. Present study investigates the conformation and hydrogen bonding interactions, which play an important role in biological functions. A gauche conformation is observed for the oxo-methylene bridge of cation A, while a trans conformation prevails in cation B. These conformations are found in majority of β-blockers. Presence of twenty intermolecular hydrogen bonds mediating through the anions stabilizes the crystal packing. Vibration analysis and earlier theoretical predictions complement the structure analysed. From the UV-Vis spectral analysis for the crystal, the optical band gap is found to be Eg = 5.12 eV, where as the chloride salt has Eg = 3.81 eV. The increase in the band gap may be attributed by the increase in the number of intermolecular hydrogen bonds. Good optical transmittance in the entire visible region and the direct band gap property suggest that it is a suitable candidate for optical applications in UV region.

  15. Flat band of midgap rotating surface states in 3D Dirac and Weyl semimetals under circularly polarized radiation

    NASA Astrophysics Data System (ADS)

    Gonzalez, Jose; Molina, Rafael A.

    We report the investigation of novel surface states which develop when 3D Dirac or Weyl semimetals are placed under circularly polarized electromagnetic radiation. We find that a gap opens up from the hybridization between Floquet side bands, which leads to the appearance of midgap surface states in the form of evanescent waves decaying from the surface exposed to the radiation. We observe a phenomenon reminiscent of Landau quantization by which the midgap surface states get a large degeneracy proportional to the radiation flux traversing the surface of the semimetal. We show that all these surface states carry angular current, leading to a modulation of their charge that rotates with the same frequency of the radiation, which should manifest in the observation of a macroscopic chiral current in the irradiated surface.

  16. Surface passivation of a photonic crystal band-edge laser by atomic layer deposition of SiO2 and its application for biosensing

    NASA Astrophysics Data System (ADS)

    Cha, Hyungrae; Lee, Jeongkug; Jordan, Luke R.; Lee, Si Hoon; Oh, Sang-Hyun; Kim, Hyo Jin; Park, Juhun; Hong, Seunghun; Jeon, Heonsu

    2015-02-01

    We report on the conformal surface passivation of photonic crystal (PC) laser devices with an ultrathin dielectric layer. Air-bridge-type Γ-point band-edge lasers (BELs) are fabricated by forming a honeycomb lattice two-dimensional PC structure into an InGaAsP multiple-quantum-well epilayer. Atomic layer deposition (ALD) is employed for conformal deposition of a few-nanometer-thick SiO2 layer over the entire device surface, not only on the top and bottom surfaces of the air-bridge membrane but also on the air-hole sidewalls. Despite its extreme thinness, the ALD passivation layer is found to protect the InGaAsP BEL devices from harsh chemicals. In addition, the ALD-SiO2 is compatible with the silane-based surface chemistry, which allows us to use ALD-passivated BEL devices as label-free biosensors. The standard streptavidin-biotin interaction shifts the BEL lasing wavelength by ~1 nm for the dipole-like Γ-point band-edge mode. A sharp lasing line (<0.2 nm, full width at half-maximum) and a large refractive index sensitivity (~163 nm per RIU) produce a figure of merit as high as ~800 for our BEL biosensor, which is at least an order of magnitude higher than those of more common biosensors that rely on a broad resonance peak, showing that our nanolaser structures are suitable for highly sensitive biosensor applications.

  17. A Local-Density Band Theory for the Fermi Surface of the Heavy-Electron Compound CeRu2Si2

    NASA Astrophysics Data System (ADS)

    Yamagami, Hiroshi; Hasegawa, Akira

    1993-02-01

    On the basis of the itinerant-electron model for the 4f electrons, the energy band structure and the Fermi surface are calculated for the metamagnetic heavy-electron compound CeRu2Si2 having the low-temperature electronic specific heat coefficient γ of 350 mJ/K2 mol. by a self-consistent symmetrized relativistic APW method with the exchange and correlation potential in a local-density approximation. The main Fermi surface consists of a large closed hole sheet and a complicated electron sheet like a jungle gym. The Fermi surface topology is consistent with the experimental result for the high-field magneto-resistance. By comparison with the electronic structure of LaRu2Si2, effects of the 4f bands on the Bloch states on the Fermi surface in CeRu2Si2 are investigated in detail. Strong evidences for existence of the electron sheet are found in available experimental de Haas-van Alphen frequencies. The enhancement factor for γ is estimated as 38.

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

    DOEpatents

    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.

  19. Rotational structures in 174Ta and ``identical bands'' in the normal deformation regime

    NASA Astrophysics Data System (ADS)

    Hojman, D.; Kreiner, A. J.; Davidson, M.

    1992-10-01

    174Ta has been studied through the 169Tm(9Be,4n) fusion-evaporation reaction in the energy range E(9Be)=40-65 MeV. γ- and x-ray in-beam and activity singles spectra, γ-γ-t coincidences, and angular-distribution measurements were performed. Four rotational structures have been found and interpreted on the basis of coupling systematics. Mixing ratio signs have been calculated using a semiclassical method and compared with the signs of the angular-distribution coefficients, in order to consolidate configuration assignments. ``Identical bands,'' i.e., bands with similar transition energies, have been found in neighboring odd and doubly-odd 171-174Ta. This similarity is interpreted here as due to fortuitous compensations between different transverse and collective angular momenta and moments of inertia.

  20. Finite difference method for analyzing band structure in semiconductor heterostructures without spurious solutions

    NASA Astrophysics Data System (ADS)

    Jiang, Yu; Ma, Xunpeng; Xu, Yun; Song, Guofeng

    2014-11-01

    To stably employ multiband k.p model for analyzing the band structure in semiconductor heterostructures without spurious solutions (SSs), the Hermitian forward and backward difference (HFBD) scheme for finite difference method (FDM) is presented. The HFBD is the discretization scheme that eliminates the difference instability and employs the Burt-Foreman Hermitian operator ordering without geometric asymmetry. The difference instability arises from employing Foreman's strategy (FS). FS removes SSs caused by unphysical bowing in bulk dispersion curve meanwhile the HFBD is the only difference scheme that can accurately adapt for it. In comparison with other recent strategies, the proposed method in this paper is as accurate and reliable as FS, along with preserving the rapidness and simplicity of FDM. This difference scheme shows stable convergence without any SSs under variable grid size. Therefore, a wide range of experiment-determined band parameters can be applied to large-scale stable simulation with this method regardless of the SSs they originally generate.

  1. Electronic band structure and optical absorption of nanotubular zinc oxide doped with Iron, Cobalt, or Copper

    NASA Astrophysics Data System (ADS)

    Zhukov, V. P.; Krasil'nikov, V. N.; Perelyaeva, L. A.; Baklanova, I. V.; Shein, I. R.

    2013-12-01

    The absorption spectra of the precursor-derived solid solutions Zn1 - x M x O ( M = Fe, Co, Cu) with a tubular morphology of aggregates have been investigated in the ultraviolet and visible regions. The maximum metal concentration x in the Zn1 - x M x O solid solutions is 0.075 for iron, 0.2 for cobalt, and 0.1 for copper. It has been found that the optical absorption and the band gap of the Zn1 - x M x O compounds depend on the type of dopant. The obtained experimental data have been interpreted using the results of the performed ab initio calculations of the electronic band structure and optical absorption.

  2. Tunable electronic band structures and zero-energy modes of heterosubstrate-induced graphene superlattices

    NASA Astrophysics Data System (ADS)

    Fan, Xiong; Huang, Wenjun; Ma, Tianxing; Wang, Li-Gang

    2016-04-01

    We propose a tunable electronic band gap and zero-energy modes in periodic heterosubstrate-induced graphene superlattices. Interestingly, there is an approximate linear relation between the band gap and the proportion of an inhomogeneous substrate (i.e., percentages of different components) in the proposed superlattice, and the effect of structural disorder on the relation is discussed. In an inhomogeneous substrate with equal widths, zero-energy states emerge in the form of Dirac points by using asymmetric potentials, and the positions of Dirac points are addressed analytically. Further, the Dirac point exists at k =0 only for specific potentials; every time it appears, the group velocity vanishes in the ky direction, and the resonance occurs. For general cases of an inhomogeneous substrate with unequal widths, part of the zero-energy states are described analytically, and differently, they are not always Dirac points. Our prediction may be realized on a heterosubstrate such as SiO2/BN .

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

    DOEpatents

    Ozbay, E.; Tuttle, G.; Michel, E.; Ho, K.M.; Biswas, R.; Chan, C.T.; Soukoulis, C.

    1995-04-11

    A method is disclosed 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. 42 figures.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

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

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

    PubMed

    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. PMID:26682732

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

    NASA Astrophysics Data System (ADS)

    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.

  8. A tunable multi-band metamaterial design using micro-split SRR structures.

    PubMed

    Ekmekci, Evren; Topalli, Kagan; Akin, Tayfun; Turhan-Sayan, Gonul

    2009-08-31

    This paper presents the results of a feasibility study for the design of multi-band tunable metamaterials based on the use of micro-split SRR (MSSRR) structures. In this study, we have designed and constructed a conventional split-ring resonator (SRR) unit cell (type A) and two modified SRR unit cells having the same design parameters except that they contain two (type B) or four (type C) additional micro-splits on the outer square ring, along the arm having the main split. Transmission characteristics of the resulting MSSRR cells are obtained both numerically and experimentally and compared to those of the ordinary SRR unit cell. It is observed that the presence of the additional micro-splits leads to the increase of resonance frequency by substantial amounts due to the series capacitance effect. Next, we have designed and constructed 2 x 2 homogeneous arrays of magnetic resonators which consist of the same type of cells (either A, or B, or C). Such MSSRR blocks are found to provide only a single frequency band of operation around the magnetic resonance frequency of the related unit cell structure. Finally, we have designed and constructed 2 x 2 and 3 x 2 inhomogeneous arrays which contain columns of different types of metamaterial unit cells. We have shown that these inhomogeneous arrays provide two or three different frequency bands of operations due to the use of different magnetic resonators together. The number of additional micro-splits in a given MSSRR cell can be interactively controlled by various switching technologies to modify the overall metamaterial topology for the purpose of activating different sets of multiple resonance frequencies. In this context, use of electrostatically actuated RF MEMS switches is discussed, and their implementation is suggested as a future work, to control the states of micro-splits in large MSSRR arrays to realize tunable multi-band metamaterials. PMID:19724605

  9. Cohesive band structure of carbon nanotubes for applications in quantum transport.

    PubMed

    Arora, Vijay K; Bhattacharyya, Arkaprava

    2013-11-21

    An integrated cohesive band structure of carbon nanotubes (CNTs) applicable to all chirality directions (n, m), starting from the Dirac cone of a graphene nanolayer in k-space, is demarcated, in direct contrast to dissimilar chiral and achiral versions in the published literature. The electron wave state of a CNT is quantized into one-dimensional (1-D) nanostructure with a wrapping mode, satisfying the boundary conditions from one Dirac K-point to an equivalent neighboring one with an identical phase and returning to the same K point. The repetitive rotation for an identical configuration with added band index (n-m)mod3, yields one metallic (M) with zero bandgap corresponding to (n-m)mod3 = 0, semiconducting state SC1 with (n-m)mod3 = 1 and SC2 with (n-m)mod3 = 2. The band gap and effective mass of SC2 state are twice as large as those of SC1 state. A broad-spectrum expression signifying the linear dependence of the effective mass on the bandgap is obtained. Both the Fermi energy and the intrinsic velocity limiting the current to the saturation level is calculated as a function of the carrier concentration. Limitations of the parabolic approximation are pointed out. Several new features of the band structure are acquired in a seamlessly unified mode for all CNTs, making it suitable for all-encompassing applications. Applications of the theory to high-field transport are advocated with an example of a metallic CNT, in agreement with experimental observations. The mechanism behind the breakdown of the linear current-voltage relation of Ohm's law and the associated surge in resistance are explained on the basis of the nonequilibrium Arora's distribution function (NEADF). These results are important for the performance evaluation and characterization of a variety of applications on CNT in modern nanoscale circuits and devices. PMID:24061093

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

    SciTech Connect

    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.

  11. A novel wideband, low-profile and second-order miniaturized band-pass frequency selective surfaces

    NASA Astrophysics Data System (ADS)

    Xu, Nianxi; Gao, Jinsong; Zhao, Jingli; Feng, Xiaoguo

    2015-07-01

    A novel wideband, low-profile and second-order miniaturized band-pass frequency selective surface (FSS) made of metallic mesh and its complementary structures with skewed arrays of modified triples is presented in this paper. Compared with traditional second-order bandpass FSSs obtained using λ/4 apart from one another, the novel FSS with an overall thickness of λ/18 is composed of three metallic layers (the outside and middle layers are complementary) separated by two electric thin dielectric substrates. This arrangement can shorten the inter-element spacing and increase the bandwidth, while the up and bottom metallic layers can constitute a symmetric biplanar FSS and thus realize ability of maximally flat second-order bandpass response. The novel FSS has a -3 dB bandwidth about 8.2 GHz (6.9 -15.1 GHz) and a fractional bandwidth exceeds 75%. Moreover, such an FSS has the merits of stable performance for incident angles within 50° and different polarizations. The principles of operation along with guidelines for the design of the proposed FSS, the simulated results by vector modal matching method, and the experimental values of the fabricated prototype are also presented and discussed.

  12. A new algorithm for sea-surface wind-speed retrieval based on the L-band radiometer onboard Aquarius

    NASA Astrophysics Data System (ADS)

    Wang, Jin; Zhang, Jie; Fan, Chenqing; Wang, Jing

    2015-09-01

    Aquarius is the second satellite mission to focus on the remote sensing of sea-surface salinity from space and it has mapped global sea-surface salinity for nearly 3 years since its launch in 2011. However, benefiting from the high atmospheric transparency and moderate sensitivity to wind speed of the L-band brightness temperature (TB), the Aquarius L-band radiometer can actually provide a new technique for the remote sensing of wind speed. In this article, the sea-surface wind speeds derived from TBs measured by Aquarius' L-band radiometer are presented, the algorithm for which is developed and validated using multisource wind speed data, including WindSat microwave radiometer and National Data Buoy Center buoy data, and the Hurricane Research Division of the Atlantic Oceanographic and Meteorological Laboratory wind field product. The error analysis indicates that the performance of retrieval algorithm is good. The RMSE of the Aquarius wind-speed algorithm is about 1 and 1.5 m/s for global oceans and areas of tropical hurricanes, respectively. Consequently, the applicability of using the Aquarius L-band radiometer as a near all-weather wind-speed measuring method is verified.

  13. Polarimetric measurements of sea surface brightness temperatures using an aircraft K-band radiometer

    SciTech Connect

    Yueh, S.H.; Wilson, W.J.; Li, F.K.; Nghiem, S.V.; Ricketts, W.B.

    1995-01-01

    This paper presents the first experimental evidence that the polarimetric brightness temperatures of sea surfaces are sensitive to ocean wind direction in the incidence angle range of 30 to 50 degrees. The experimental data were collected by a K-band (19.35 GHz) polarimetric wind radiometer (WINDRAD) mounted on the NASA DC-8 aircraft. A set of aircraft radiometer flights was successfully completed in November 1993. The authors performed circle flights over National Data Buoy Center (NDBC) moored buoys deployed off the northern California coast, which provided ocean wind measurements. The first WINDRAD flight was made on November 4, 1993. There was clear weather with a wind speed of 12 m/s at 330 degrees around the Pt. Arena buoy. They circled the buoy at three incidence angles, and all data when plotted as functions of azimuth angles show clear modulations of several Kelvin. At 40 degrees incidence angle, there is a 5 Kelvin peak-to-peak signal in the second Stokes parameter Q and the third Stokes parameter U. The Q data maximum is in the upwind direction and U has a 45 degrees phase shift in azimuth--as predicted by theory. There is also an up/downwind asymmetry of 2 Kelvin in the Q data, and 1 Kelvin in the U data. At 50 degrees incidence angle, the collected data show very similar wind direction signatures to the SSM/I model function. Additional flights were made on other days under cloudy conditions. Data taken at a wind speed of 8 m/s show that at 40 degrees incidence Q and U have a smaller azimuthal modulation of 3 Kelvin, probably due to the lower wind speed. Additionally, the simultaneously recorded video images of sea surfaces suggested that Q and U data were less sensitive to unpolarized geophysical variations, such as clouds and whitecaps, while the T{sub v} and T{sub h} increased by a few Kelvin when the radiometer beam crossed over clouds, or there was a sudden increase of whitecaps in the radiometer footprint.

  14. Effects of the Antenna Aperture on Remote Sensing of Sea Surface Salinity at L-Band

    NASA Technical Reports Server (NTRS)

    Dinnat, Emmanuel P.; LeVine, David M.

    2006-01-01

    Remote sensing of sea surface salinity with sufficient accuracy to meet the needs of global oceanography is a challenging task. The global variability of the salinity signal in the open ocean is only a few Kelvin even at L-band and an accuracy on the order of 0.1K is desired to study the influence of salinity on ocean circulation and energy exchange with the atmosphere. On the other hand, resolution is not an issue for understanding the dynamics of the open ocean where scales of hundreds of km are not uncommon. This permits remote sensing with large antenna footprints and spatial averaging to reduce noise. However, antennas with large footprints introduce other problems. For example, the angle of incidence and hence the brightness temperature varies over the footprint. Similarly, the polarization of brightness temperature relative to the antenna ports changes. Studies have been conducted using antenna patterns representative of the antenna that will be flown on the Aquarius mission to examine these effects. Aquarius is a pushbroom style radiometer with three beams looking across track away from the sun. The beams are at incidences angles (at the spacecraft) of about 26.5, 34 and 40 degrees each with a half-power beam width of about 5.8 degrees. It is shown that the measured brightness temperature is biased relative to the value at boresight because of changes across the field of view. The bias can be as much as 4K and positive or negative depending on polarization. Polarization mixing because of the variations of the local plane of incidence across the footprint also occur and can result in biased polarimetric measurements. A bias in the third Stokes parameter of as much as 0.4K is possible. Such effects may affect algorithms that use the third Stokes parameter to correct for Faraday rotation. Another issue associated with the antenna is sun glint. This is an issue determined by surface roughness and antenna sidelobes. Examples will be given for the random component (glint) for the case of the Aquarius antenna beams. Fortunately, the Aquarius beams mostly look to the dark side of the day-night termination, but during some portions of the year they will see sun-lighted ocean. In this case, glint could be an issue for the inner-most beam.

  15. Atomic and electronic structures of novel ternary and quaternary narrow band-gap semiconductors

    NASA Astrophysics Data System (ADS)

    Hoang, Khang

    This thesis concerns mainly with atomic and electronic structures of novel ternary and quaternary chalcogenide narrow band-gap semiconductors which are of great interest for infrared devices, photovoltaics, and high temperature thermoelectrics. More specifically, it presents studies of charge ordering and self-assembled nanostructures in a class of quaternary systems and their phase diagram, defect clustering and nanostructure formation in bulk thermoelectrics, atomic and electronic structures of ternary chalcogenides, and nature of defect states in narrow band-gap semiconductors. Studies are carried out using Monte Carlo (MC) and ab initio methods to understand the nanostructuring phenomenon observed in AgPbmSbTem+2 and similar systems. MC simulations in these quaternaries using an ionic model show a distinct phase diagram and a variety of structural orderings depending on the concentration of the monovalent and trivalent atoms as a result of the long-range nature of the Coulomb interaction. Ab initio density functional theory (DFT) based calculations also show that monovalent and trivalent impurities in PbTe, SnTe, and GeTe-based bulk thermoelectric materials like to come close to each other and form clusters or some sort of embedded nanostructures. Interplay of atomic and electronic structures and band gap formation in I-V-VI2 and TI-based III-V-VII2 tertiary chalcogenides (I=Ag, Cu, Au, Na, K; V=As, Sb, Bi; VII=S, Se, Te) are studied using ab initio electronic structure calculations. These calculations have been able to identify low energy ordered structures which are consistent with experiments. Several intriguing physical properties of these materials can be understood in terms of the calculated electronic structure. This thesis suggests how to modify a certain ternary by replacing its constituting elements) such that the electronic structure shows desired features for different applications. Comprehensive studies of the nature of defect-induced electronic states associated with a large class of substitutional impurities and native point defects in PbTe, SnTe, and GeTe are carried out using DFT and supercell models. Calculations are also carried out in PbTe thin films and nanoclusters to study how the defect states change in going from one geometry to another. This thesis also concerns with energetics of the defects, particularly defect formation energy, which may be able to give some information on the doping mechanism and the distribution of the defects in these systems. Based on the calculated electronic structures, one can explain the peculiar properties of PbTe doped with group III (Ga, In, T1) impurities and the observed transport properties of PbTe, SnTe, and GeTe-based thermoelectrics.

  16. The influence of material properties on the elastic band structures of one-dimensional functionally graded phononic crystals

    NASA Astrophysics Data System (ADS)

    Su, Xing-liang; Gao, Yuan-wen; Zhou, You-he

    2012-12-01

    We study the influence of material parameters on elastic band gaps of one-dimensional functionally graded phononic crystals (FGPCs). By using plane-wave expansion, we calculate the first four band structures of FGPCs consisting of functionally graded materials (FGMs). These structures vary exponentially. We systematically study the influence of material parameters for four different FGPC models. Compared with traditional phononic crystals (PCs), the FGPC band gaps are clearly changed by FGMs. We also consider the influence of material composition, material properties and geometrical parameters on band gaps. Results show that different FGM properties can change the band structures remarkably. Our work can facilitate the design of vibration filters and noise insulators and provide more design freedom in engineering.

  17. Thermodynamics and surface structure of coals

    SciTech Connect

    Larsen, J.W.; Quay, D.M.; Roberts, J.E.; Wernett, P.C.

    1990-01-01

    We propose that most pores in coals are closed. They cannot be reached by diffusion through a pore network but can only be reached by diffusion through solid coal. Co{sub 2} gives accurate total surface areas because it dissolves in and rapidly diffuses through solid coals, reaching all the pores. This surface area is irrelevant to materials which are only slightly soluble or insoluble in coals for these can only reach a small portion of the pores. Thus, the diffusion rate controls the determined pore size. For the large molecules involved in direct-liquefaction and most organic reactions, the effective surface areas of these coals are very small, only a few m{sup 2}/g. The consequences of this structure model for coal processing and reaction are significant. These coals cannot be considered high (hundreds of m{sup 2}/g) surface area materials which are easily accessible. They are low surface area solids only slightly permeable to hydrocarbons. The advantages of fine grinding are obvious. Using solvents which will cause coal to become rubbery rather than glassy will enhance diffusion and thus reactivity.

  18. Thermodynamics and surface structure of coals

    SciTech Connect

    Glass, A.S.; Larsen, J.W.; Quay, D.M.; Roberts, J.E.

    1991-01-01

    NMR relaxation and shift reagents are being deposited on the surface of coals. The dipolar coupling of the unpaired electron spin of the relaxation agent and the carbon atom should significantly shorten the carbon T, which should broaden it away. We propose to record the NMR spectrum of a coal before and after deposition and subtract the spectra. The difference spectra will arise from the functionalities within approximately one nanometer of the surface and reveal the surface composition of the coal. In order to determine the surface concentration of the dysprosium in the coal, we are using x-ray photoelectron spectroscopy (XPS) also known as electron spectroscopy for chemical analysis (ESCA). XPS is a surface technique that can be used for the elucidation of chemical structure. The binding energy for each electron in each element is unique. The measurement of the binding energy in XPS allows the identification of the element and its oxidation state. The relative atomic concentrations of each element can also be determined using XPS spectra.

  19. Unified description of rotational-, γ-, and quasiparticle-band structures in neutron-rich mass ∼ 110 region

    NASA Astrophysics Data System (ADS)

    Bhat, G. H.; Sheikh, J. A.; Sun, Y.; Palit, R.

    2016-03-01

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

  20. Deformable frequency selective surface structure with tuning capability through thermoregulating.

    PubMed

    Chen, Xin; Gao, Jinsong; Fang, Chunyi; Xu, Nianxi; Wang, Yansong; Tang, Yang

    2015-06-15

    We design and fabricate a deformable frequency selective surface (FSS) structure using shape memory alloys (SMA). The unit cell could "remember" two different geometrical shapes and the shapes convert to each other alternately during heating and cooling, that leads to the drift of resonant frequency. Qualitative analysis by equivalent circuit model and accurate numeric calculation are compared to display the character of the transmission. The measurements show that a tuning range of frequency from 13.07GHz to 16.29GHz is achieved when the morphology of the unit cell changes, making the deformable FSS an attractive choice for tunable filter in different frequency bands with the features of wide tuning range and sharp cut-off. PMID:26193605