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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. Investigations of the Band Structure and Morphology of Nanostructured Surfaces

    NASA Astrophysics Data System (ADS)

    Knox, Kevin R.

    2011-12-01

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

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

    PubMed Central

    Xu, Yishuai; Chiu, Janet; Miao, Lin; He, Haowei; Alpichshev, Zhanybek; Kapitulnik, A.; Biswas, Rudro R.; Wray, L. Andrew

    2017-01-01

    Three-dimensional topological insulators are bulk insulators with Z2 topological electronic order that gives rise to conducting light-like surface states. These surface electrons are exceptionally resistant to localization by non-magnetic disorder, and have been adopted as the basis for a wide range of proposals to achieve new quasiparticle species and device functionality. Recent studies have yielded a surprise by showing that in spite of resisting localization, topological insulator surface electrons can be reshaped by defects into distinctive resonance states. Here we use numerical simulations and scanning tunnelling microscopy data to show that these resonance states have significance well beyond the localized regime usually associated with impurity bands. At native densities in the model Bi2X3 (X=Bi, Te) compounds, defect resonance states are predicted to generate a new quantum basis for an emergent electron gas that supports diffusive electrical transport. PMID:28155858

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

    NASA Astrophysics Data System (ADS)

    Xu, Yishuai; Chiu, Janet; Miao, Lin; He, Haowei; Alpichshev, Zhanybek; Kapitulnik, A.; Biswas, Rudro R.; Wray, L. Andrew

    2017-02-01

    Three-dimensional topological insulators are bulk insulators with Z2 topological electronic order that gives rise to conducting light-like surface states. These surface electrons are exceptionally resistant to localization by non-magnetic disorder, and have been adopted as the basis for a wide range of proposals to achieve new quasiparticle species and device functionality. Recent studies have yielded a surprise by showing that in spite of resisting localization, topological insulator surface electrons can be reshaped by defects into distinctive resonance states. Here we use numerical simulations and scanning tunnelling microscopy data to show that these resonance states have significance well beyond the localized regime usually associated with impurity bands. At native densities in the model Bi2X3 (X=Bi, Te) compounds, defect resonance states are predicted to generate a new quantum basis for an emergent electron gas that supports diffusive electrical transport.

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

    DOE PAGES

    Xu, Yishuai; Chiu, Janet; Miao, Lin; ...

    2017-02-03

    Three-dimensional topological insulators are bulk insulators with Z2 topological electronic order that gives rise to conducting light-like surface states. These surface electrons are exceptionally resistant to localization by non-magnetic disorder, and have been adopted as the basis for a wide range of proposals to achieve new quasiparticle species and device functionality. Recent studies have yielded a surprise by showing that in spite of resisting localization, topological insulator surface electrons can be reshaped by defects into distinctive resonance states. Here we use numerical simulations and scanning tunnelling microscopy data to show that these resonance states have significance well beyond the localizedmore » regime usually associated with impurity bands. Lastly, at native densities in the model Bi2X3 (X=Bi, Te) compounds, defect resonance states are predicted to generate a new quantum basis for an emergent electron gas that supports diffusive electrical transport.« less

  7. 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.

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

    NASA Astrophysics Data System (ADS)

    Vladimirov, S. V.; Ishihara, O.

    2016-07-01

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

  9. 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.

  10. 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.

  11. 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).

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

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

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

  13. Band structure and thermodynamic properties of He atoms near a MgO surface

    NASA Astrophysics Data System (ADS)

    Schwartz, Carey; Karimi, Majid; Vidali, Gianfranco

    1989-06-01

    The energy-band structure and thermodynamic properties of a single He atom adsorbed upon MgO are computed numerically. The bound-state energy eigenvalues, wave functions, and matrix elements were obtained by solving the single-particle Schrödinger equation using the recently developed semi-empirical potential of Karimi and Vidali as input. We find at the center of the Brillouin zone an effective mass enhancement {m ∗}/{m} =1.081 that agrees well with the predictions of a perturbation theory. The heat capacity and isosteric heat of adsorption are calculated and compared to the data of Sullivan et al. [Surface Sci. 162 (1985) 461].

  14. Band structure and thermodynamic properties of He atoms near a MgO surface

    NASA Astrophysics Data System (ADS)

    Schwartz, Carey; Karimi, Majid; Vidali, Gianfranco

    The energy-band structure and thermodynamic properties of a single He atom adsorbed upon MgO are computed numerically. The bound-state energy eigenvalues, wave functions, and matrix elements were obtained by solving the single-particle Schrödinger equation using the recently developed semi-empirical potential of Karimi and Vidali as input. We find at the center of the Brillouin zone an effective mass enhancement m ∗/m = 1.081 that agrees well with the predictions of a perturbation theory. The heat capacity and isosteric heat of adsorption are calculated and compared to the data of Sullivan et al. [Surface Sci. 162 (1985) 461].

  15. Band structure and waveguide modelling of epitaxially regrown photonic crystal surface-emitting lasers

    NASA Astrophysics Data System (ADS)

    Taylor, Richard J. E.; Williams, David M.; Orchard, Jon R.; Childs, David T. D.; Khamas, Salam; Hogg, Richard A.

    2013-07-01

    In this paper we describe elements of photonic crystal surface-emitting laser (PCSEL) design and operation, highlighting that epitaxial regrowth may provide advantages over current designs incorporating voids. High coupling coefficients are shown to be possible for all-semiconductor structures. We introduce type I and type II photonic crystals (PCs), and discuss the possible advantages of using each. We discussed band structure and coupling coefficients as a function of atom volume for a circular atom on a square lattice. Additionally we explore the effect PC atom size has on in-plane and out-of-plane coupling. We conclude by discussing designs for a PCSEL combined with a distributed Bragg reflector to maximize external efficiency.

  16. 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.

    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.

  17. 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.

  18. 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.

  19. Electronic band structure and Fermi surface of ferromagnetic Tb: Experiment and theory

    NASA Astrophysics Data System (ADS)

    Döbrich, K. M.; Bihlmayer, G.; Starke, K.; Prieto, J. E.; Rossnagel, K.; Koh, H.; Rotenberg, E.; Blügel, S.; Kaindl, G.

    2007-07-01

    We have investigated the bulk valence-band structure of Tb metal in the ferromagnetic phase by angle-resolved photoelectron spectroscopy and full-potential-linearized-augmented-plane-wave calculations. The experiments were performed at undulator beamline 7.0.1 of the Advanced Light Source using a three-axis rotatable low-temperature goniometer and a display-type photoelectron spectrometer that give access to a large region of momentum space. The results of our calculations, which make use of recent progress in the theoretical description of the magnetic properties of 4f metals, are in remarkably good agreement with experiment. This can be best seen from a comparison of the electronic structure in high-symmetry directions, at critical points, on Fermi contours, and at band crossings with the Fermi level. To our knowledge, the present work represents the most detailed combined experimental and theoretical study of the electronic structure of a magnetic lanthanide metal to date.

  20. Band-structure tailoring and surface passivation for highly efficient near-infrared responsive PbS quantum dot photovoltaics

    NASA Astrophysics Data System (ADS)

    Zhou, Ru; Niu, Haihong; Ji, Fengwei; Wan, Lei; Mao, Xiaoli; Guo, Huier; Xu, Jinzhang; Cao, Guozhong

    2016-11-01

    PbS is a promising light harvester for near-infrared (NIR) responsive quantum dot (QD) photovoltaics due to its narrow bulk band gap (0.41 eV) and large exciton Bohr radius (18 nm). However, the relatively low conduction band (CB) and high-density surface defects of PbS as two major drawbacks for its use in solar cells severely hamper the photovoltaic performance enhancement. In this work, a modified solution-based successive ionic layer adsorption and reaction (SILAR) utilizing mixed cationic precursors of Pb2+ and Cd2+ is explored, and such a scheme offers two benefits, band-structure tailoring and surface passivation. In-situ deposited CdS suppresses the excessive growth of PbS in the mesopores, thereby facilitating the favorable electron injection from PbS to TiO2 in view of the up-shifted CB level of QDs; the intimate interpenetration of two sulfides with each other leads to superior passivation of trap state defects on PbS, which suppresses the interfacial charge recombination. With the construction of photovoltaics based on such a hybrid (Pb,Cd)S/CdS configuration, impressive power conversion efficiency up to 4.08% has been reached, outperforming that of the conventional PbS/CdS pattern (2.95%). This work highlights the great importance of band-structure tailoring and surface passivation for constructing highly efficient PbS QD photovoltaics.

  1. 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.

  2. 2D Tl-Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure.

    PubMed

    Gruznev, D V; Bondarenko, L V; Tupchaya, A Y; Eremeev, S V; Mihalyuk, A N; Chou, J P; Wei, C M; Zotov, A V; Saranin, A A

    2017-01-25

    Structural transformations and evolution of the electron band structure in the (Tl, Pb)/Ge(1 1 1) system have been studied using low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density functional theory calculations. The two 2D Tl-Pb compounds on Ge(1 1 1), [Formula: see text]-(Tl, Pb) and [Formula: see text]-(Tl, Pb), have been found and their composition, atomic arrangement and electron properties has been characterized. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound is almost identical to the alike (Tl, Pb)/Si(1 1 1)[Formula: see text] system from the viewpoint of its atomic structure and electronic properties. They contain 1.0 ML of Tl atoms arranged into a honeycomb network of chained trimers and 1/3 ML of Pb atoms occupying the centers of the honeycomb units. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound contains six Tl atoms and seven Pb atoms per [Formula: see text] unit cell (i.e.  ∼0.67 ML Tl and  ∼0.78 ML Pb). Its atomic structure can be visualized as consisting of Pb hexagons surrounded by Tl trimers. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] and (Tl, Pb)/Ge(1 1 1)[Formula: see text] compounds are metallic and their band structures contain spin-split surface-state bands. By analogy with the (Tl, Pb)/Si(1 1 1)[Formula: see text], these (Tl, Pb)/Ge(1 1 1) compounds are believed to be promising objects for prospective studies of superconductivity in one-atom-layer systems.

  3. 2D Tl-Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure

    NASA Astrophysics Data System (ADS)

    Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Eremeev, S. V.; Mihalyuk, A. N.; Chou, J. P.; Wei, C. M.; Zotov, A. V.; Saranin, A. A.

    2017-01-01

    Structural transformations and evolution of the electron band structure in the (Tl, Pb)/Ge(1 1 1) system have been studied using low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density functional theory calculations. The two 2D Tl-Pb compounds on Ge(1 1 1), \\sqrt{3}× \\sqrt{3} -(Tl, Pb) and 3× 3 -(Tl, Pb), have been found and their composition, atomic arrangement and electron properties has been characterized. The (Tl, Pb)/Ge(1 1 1)\\sqrt{3}× \\sqrt{3} compound is almost identical to the alike (Tl, Pb)/Si(1 1 1)\\sqrt{3}× \\sqrt{3} system from the viewpoint of its atomic structure and electronic properties. They contain 1.0 ML of Tl atoms arranged into a honeycomb network of chained trimers and 1/3 ML of Pb atoms occupying the centers of the honeycomb units. The (Tl, Pb)/Ge(1 1 1)3× 3 compound contains six Tl atoms and seven Pb atoms per 3× 3 unit cell (i.e.  ˜0.67 ML Tl and  ˜0.78 ML Pb). Its atomic structure can be visualized as consisting of Pb hexagons surrounded by Tl trimers. The (Tl, Pb)/Ge(1 1 1)\\sqrt{3}× \\sqrt{3} and (Tl, Pb)/Ge(1 1 1)3× 3 compounds are metallic and their band structures contain spin-split surface-state bands. By analogy with the (Tl, Pb)/Si(1 1 1)\\sqrt{3}× \\sqrt{3} , these (Tl, Pb)/Ge(1 1 1) compounds are believed to be promising objects for prospective studies of superconductivity in one-atom-layer systems.

  4. Dual-band frequency selective surface with large band separation and stable performance

    NASA Astrophysics Data System (ADS)

    Zhou, Hang; Qu, Shao-Bo; Peng, Wei-Dong; Lin, Bao-Qin; Wang, Jia-Fu; Ma, Hua; Zhang, Jie-Qiu; Bai, Peng; Wang, Xu-Hua; Xu, Zhuo

    2012-05-01

    A new technique of designing a dual-band frequency selective surface with large band separation is presented. This technique is based on a delicately designed topology of L- and Ku-band microwave filters. The two band-pass responses are generated by a capacitively-loaded square-loop frequency selective surface and an aperture-coupled frequency selective surface, respectively. A Faraday cage is located between the two frequency selective surface structures to eliminate undesired couplings. Based on this technique, a dual-band frequency selective surface with large band separation is designed, which possesses large band separation, high selectivity, and stable performance under various incident angles and different polarizations.

  5. Electronic structure of the conduction band upon the formation of ultrathin fullerene films on the germanium oxide surface

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    The results of the investigation of the electronic structure of the conduction band in the energy range 5-25 eV above the Fermi level E F and the interfacial potential barrier upon deposition of aziridinylphenylpyrrolofullerene (APP-C60) and fullerene (C60) films on the surface of the real germanium oxide ((GeO2)Ge) have been presented. The content of the oxide on the (GeO2)Ge surface has been determined using X-ray photoelectron spectroscopy. The electronic properties have been measured using the very low energy electron diffraction (VLEED) technique in the total current spectroscopy (TCS) mode. The regularities of the change in the fine structure of total current spectra (FSTCS) with an increase in the thickness of the APP-C60 and C60 coatings to 7 nm have been investigated. A comparison of the structures of the FSTCS maxima for the C60 and APP-C60 films has made it possible to reveal the energy range (6-10 eV above the Fermi level E F) in which the energy states are determined by both the π* and σ* states and the FSTCS spectra have different structures of the maxima for the APP-C60 and unsubstituted C60 films. The formation of the interfacial potential barrier upon deposition of APP-C60 and C60 on the (GeO2)Ge surface is accompanied by an increase in the work function of the surface E vac- E F by the value of 0.2-0.3 eV, which corresponds to the transfer of the electron density from the substrate to the organic films under investigation. The largest changes occur with an increase in the coating thickness to 3 nm, and with further deposition of APP-C60 and C60, the work function of the surface changes only slightly.

  6. Band structure in 113Sn

    NASA Astrophysics Data System (ADS)

    Banerjee, P.; Ganguly, S.; Pradhan, M. K.; Sharma, H. P.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.

    2016-07-01

    The structure of collective bands in 113Sn, populated in the reaction 100Mo(19F,p 5 n ) at a beam energy of 105 MeV, has been studied. A new positive-parity sequence of eight states extending up to 7764.9 keV and spin (39 /2+) has been observed. The band is explained as arising from the coupling of the odd valence neutron in the g7 /2 or the d5 /2 orbital to the deformed 2p-2h proton configuration of the neighboring even-A Sn isotope. Lifetimes of six states up to an excitation energy of 9934.9 keV and spin 47 /2-belonging to a Δ I =2 intruder band have been measured for the first time, including an upper limit for the last state, from Doppler-shift-attenuation data. A moderate average quadrupole deformation β2=0.22 ±0.02 is deduced from these results for the five states up to spin 43 /2- . The transition quadrupole moments decrease with increase in rotational frequency, indicating a reduction of collectivity with spin, a feature common for terminating bands. The behavior of the kinematic and dynamic moments of inertia as a function of rotational frequency has been studied and total Routhian surface calculations have been performed in an attempt to obtain an insight into the nature of the states near termination.

  7. Photonic band structure

    SciTech Connect

    Yablonovitch, E.

    1993-05-01

    We learned how to create 3-dimensionally periodic dielectric structures which are to photon waves, as semiconductor crystals are to electron waves. That is, these photonic crystals have a photonic bandgap, a band of frequencies in which electromagnetic waves are forbidden, irrespective of propagation direction in space. Photonic bandgaps provide for spontaneous emission inhibition and allow for a new class of electromagnetic micro-cavities. If the perfect 3-dimensional periodicity is broken by a local defect, then local electromagnetic modes can occur within the forbidden bandgap. The addition of extra dielectric material locally, inside the photonic crystal, produces {open_quotes}donor{close_quotes} modes. Conversely, the local removal of dielectric material from the photonic crystal produces {open_quotes}acceptor{close_quotes} modes. Therefore, it will now be possible to make high-Q electromagnetic cavities of volume {approx_lt}1 cubic wavelength, for short wavelengths at which metallic cavities are useless. These new dielectric micro-resonators can cover the range all the way from millimeter waves, down to ultraviolet wavelengths.

  8. 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.

  9. 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.

  10. Electronic band structure and Fermi surfaces of the quasi-two-dimensional monophosphate tungsten bronze, P4W12O44

    NASA Astrophysics Data System (ADS)

    Paul, S.; Ghosh, A.; Sato, T.; Sarma, D. D.; Takahashi, T.; Wang, E.; Greenblatt, M.; Raj, S.

    2014-02-01

    The electronic structure of quasi-two-dimensional monophosphate tungsten bronze, P4W12O44, has been investigated by high-resolution angle-resolved photoemission spectroscopy and density functional theoretical calculations. Experimental electron-like bands around \\Gamma point and Fermi surfaces have similar shapes as predicted by calculations. Fermi surface mapping at different temperatures shows a depletion of density of states at low temperature in certain flat portions of the Fermi surfaces. These flat portions of the Fermi surfaces satisfy the partial nesting condition with incommensurate nesting vectors q_1 and q_2 , which leads to the formation of charge density waves in this phosphate tungsten bronzes. The setting up of charge density wave in these bronzes can well explain the anomaly observed in its transport properties.

  11. Using coupling slabs to tailor surface-acoustic-wave band structures in phononic crystals consisting of pillars attached to elastic substrates

    NASA Astrophysics Data System (ADS)

    Zhang, Heng; Yu, SiYuan; Liu, FuKang; Wang, Zhen; Lu, MingHui; Hu, XiaoBo; Chen, YanFeng; Xu, XianGang

    2017-04-01

    The propagation of surface acoustic waves (SAWs) in two-dimensional phononic crystals (PnCs) with and without coupling-enhancement slabs was theoretically investigated using a three-dimensional finite element method. Different piezoelectric substrates, for example, lithium niobate (LiNbO3), gallium nitride (GaN), and aluminium nitride (AlN), were taken into account. Compared to the PnCs without coupling-enhancement slabs, the coupling between each pillar and its nearest neighbor was largely enhanced in the presence of slabs. The bandwidth of the first directional band gap increased markedly compared with its initial value for the PnCs without a slab (within square symmetry). In addition, with increasing thicknesses of the slabs bonded between neighboring pillars, the first directional band-gap and second directional band gap of the PnCs tend to merge. Therefore, the structure with coupling-enhancement slabs can be used as an excellent electrical band elimination filter for most electro-SAW devices, offering a new strategy to realize chip-scale applications in electroacoustic signal processing, optoacoustic modulation, and even SAW microfluidic devices.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Electronic structure of the conduction band of the interface region of ultrathin films of substituted perylenedicarboximides and the germanium oxide surface

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

    The results of the investigation of the electronic structure of the conduction band and the interfacial potential barrier during the formation of interfaces of dioctyl-substituted perylenedicarboximide (PTCDI-C8) and diphenyl-substituted perylenedicarboximide (PTCDI-Ph) ultrathin films with the oxidized germanium surface have been presented. The experimental results have been obtained using the very low energy electron diffraction (VLEED) technique in the total current spectroscopy (TCS) mode at energies in the range from 5 to 20 eV above the Fermi level E F. The positions of the maxima of the fine structure of total current spectra (FSTCS) of the PTCDI-C8 and PTCDI-Ph films differ significantly in the energy range from 9 to 20 eV above the Fermi level E F, which can be associated with the difference between the substituents of the chosen molecules, dioctyl- and diphenyl-, respectively. At the same time, the positions of the lowenergy maxima in the FSTCS spectra at an energy 6-7 eV above the Fermi level E F for the PTCDI-C8 and PTCDI-Ph films almost coincide with each other. It has been suggested that these maxima are attributed to the electronic states of the perylene core of the molecules under investigation. The process of the formation of interfacial potential barriers of the PTCDI-C8 and PTCDI-Ph films with the oxidized germanium surface has been analyzed. It has been found that the work functions of the surface, E vac- E F, differ little from 4.6 ± 0.1 eV over the entire range of organic coating thicknesses from 0 to 6 nm.

  17. Band structure, Fermi surface, elastic, thermodynamic, and optical properties of AlZr 3 , AlCu 3 , and AlCu 2 Zr: First-principles study

    NASA Astrophysics Data System (ADS)

    Parvin, R.; Parvin, F.; Ali, M. S.; Islam, A. K. M. A.

    2016-08-01

    The electronic properties (Fermi surface, band structure, and density of states (DOS)) of Al-based alloys AlM 3 (M = Zr and Cu) and AlCu2Zr are investigated using the first-principles pseudopotential plane wave method within the generalized gradient approximation (GGA). The structural parameters and elastic constants are evaluated and compared with other available data. Also, the pressure dependences of mechanical properties of the compounds are studied. The temperature dependence of adiabatic bulk modulus, Debye temperature, specific heat, thermal expansion coefficient, entropy, and internal energy are all obtained for the first time through quasi-harmonic Debye model with phononic effects for T = 0 K-100 K. The parameters of optical properties (dielectric functions, refractive index, extinction coefficient, absorption spectrum, conductivity, energy-loss spectrum, and reflectivity) of the compounds are calculated and discussed for the first time. The reflectivities of the materials are quite high in the IR-visible-UV region up to ˜ 15 eV, showing that they promise to be good coating materials to avoid solar heating. Some of the properties are also compared with those of the Al-based Ni3Al compound.

  18. Effective band structure of random alloys.

    PubMed

    Popescu, Voicu; Zunger, Alex

    2010-06-11

    Random substitutional A(x)B(1-x) alloys lack formal translational symmetry and thus cannot be described by the language of band-structure dispersion E(k(→)). Yet, many alloy experiments are interpreted phenomenologically precisely by constructs derived from wave vector k(→), e.g., effective masses or van Hove singularities. Here we use large supercells with randomly distributed A and B atoms, whereby many different local environments are allowed to coexist, and transform the eigenstates into an effective band structure (EBS) in the primitive cell using a spectral decomposition. The resulting EBS reveals the extent to which band characteristics are preserved or lost at different compositions, band indices, and k(→) points, showing in (In,Ga)N the rapid disintegration of the valence band Bloch character and in Ga(N,P) the appearance of a pinned impurity band.

  19. 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.

  20. Deformed band structures at high spin in 200Tl

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Soumik; Bhattacharyya, S.; Das Gupta, S.; Pai, H.; Mukherjee, G.; Palit, R.; Xu, F. R.; Wu, Q.; Shrivastava, A.; Asgar, Md. A.; Banik, R.; Bhattacharjee, T.; Chanda, S.; Chatterjee, A.; Goswami, A.; Nanal, V.; Pandit, S. K.; Saha, S.; Sethi, J.; Roy, T.; Thakur, S.

    2017-01-01

    High-spin band structures of 200Tl have been studied by γ -ray spectroscopic methods using the 198Pt(7Li,5 n )200Tl reaction at 45 MeV of beam energy. The level scheme of 200Tl has been extended significantly and several new band structures have been established with the observation of 60 new transitions. The π h9 /2⊗ν i13 /2 oblate band has been extended beyond the particle alignment frequencies. The band structures and the other excited states have been compared with the neighboring odd-odd Tl isotopes. Total Routhian surface calculations have been performed to study the deformation and shape changes as a function of spin in this nucleus. These calculations could reproduce the particle alignment frequency and suggest that the neutron pair alignment in ν i13 /2 orbital induces γ softness in 200Tl.

  1. 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

    2015-08-20

    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.

  2. 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

  3. Nonreciprocal microwave band-gap structures.

    PubMed

    Belov, P A; Tretyakov, S A; Viitanen, A J

    2002-07-01

    An electrically controlled nonreciprocal electromagnetic band-gap material is proposed and studied. The new material is a periodic three-dimensional regular lattice of small magnetized ferrite spheres. In this paper, we consider plane electromagnetic waves in this medium and design an analytical model for the material parameters. An analytical solution for plane-wave reflection from a planar interface is also presented. In the proposed material, a new electrically controlled stop band appears for one of the two circularly polarized eigenwaves in a frequency band around the ferrimagnetic resonance frequency. This frequency can be well below the usual lattice band gap, which allows the realization of rather compact structures. The main properties of the material are outlined.

  4. Band structures of121,123I

    NASA Astrophysics Data System (ADS)

    Goswami, R.; Sethi, B.; Sarkar, M. S.; Sen, S.

    1995-12-01

    The band structures of121, 123I nuclei have been studied using a version of the particle-rotor-model in which the experimental excitation energies of the neighbouring (A-1) cores can be fed directly as input parameters. The calculations have been carried out with axially symmetric Nilsson potential with both prolate and oblate deformations. The parameters of the model have been chosen from earlier theoretical work and experimental odd-even mass differences. Only the Coriolis attenuation factor has been treated as adjustable parameter. The theoretical band structures are in very good agreement with the available experimental data.

  5. Midfrequency band dynamics of large space structures

    NASA Astrophysics Data System (ADS)

    Coppolino, Robert N.; Adams, Douglas S.; Levine, Marie B.

    2004-09-01

    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.

  6. Band structure engineering in topological insulator based heterostructures.

    PubMed

    Menshchikova, T V; Otrokov, M M; Tsirkin, S S; Samorokov, D A; Bebneva, V V; Ernst, A; Kuznetsov, V M; Chulkov, E V

    2013-01-01

    The ability to engineer an electronic band structure of topological insulators would allow the production of topological materials with tailor-made properties. Using ab initio calculations, we show a promising way to control the conducting surface state in topological insulator based heterostructures representing an insulator ultrathin films on the topological insulator substrates. Because of a specific relation between work functions and band gaps of the topological insulator substrate and the insulator ultrathin film overlayer, a sizable shift of the Dirac point occurs resulting in a significant increase in the number of the topological surface state charge carriers as compared to that of the substrate itself. Such an effect can also be realized by applying the external electric field that allows a gradual tuning of the topological surface state. A simultaneous use of both approaches makes it possible to obtain a topological insulator based heterostructure with a highly tunable topological surface state.

  7. Electronic band structure of defect chalcopyrites

    NASA Astrophysics Data System (ADS)

    Jiang, Xiaoshu; Lambrecht, Walter R. L.

    2001-03-01

    The defect chalcopyrites of chemical composition II-III-VI4 in which II, III and VI mean group-II elements such as Cd or Hg, group-III elements such as Al and Ga and group-VI elements such as S, Se, Te, form an interesting family of semiconductor compounds with potential nonlinear optical applications. They can be thought of as derived from the regular I-III-VI2 chalcopyrites by doubling the formula unit and replacing the group I element, for example, Ag by the group-II element and a vacancy in an ordered manner. The chalcopyrites themselves are derived from II-VI compounds by replacing the group-II by a group I and a group-III element. In this contribution we present electronic band structure calculations of some of these compounds, calculated using the linear muffin-tin orbital method combined with the local density functional approximation. We discuss the relation of the band structures of the corresponding zincblende, chalcopyrite and defect chalcopyrite compounds. In particular, the role of the group I or group II d-band energy will be shown to be important. The trends with chemical substutions and the effects of structural distortions c/a and internal parameters accompanying the chemical distortion will be discussed.

  8. 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.

  9. Topological Insulators: Electronic Band Structure and Spectroscopy

    NASA Astrophysics Data System (ADS)

    Palaz, S.; Koc, H.; Mamedov, A. M.; Ozbay, E.

    2017-02-01

    In this study, we present the results of our ab initio calculation of the elastic constants, density of states, charge density, and Born effective charge tensors for ferroelectric (rhombohedral) and paraelectric phases (cubic) of the narrow band ferroelectrics (GeTe, SnTe) pseudopotentials. The related quantities such as bulk modulus and shear modulus using obtained elastic constants have also been estimated in the present work. The total and partial densities of states corresponding to the band structure of Sn(Ge)Te(S,Se) were calculated. We also calculated the Born effective charge tensor of an atom (for instance, Ge, Sn, Te, etc.), which is defined as the induced polarization of the solid along the main direction by a unit displacement in the perpendicular direction of the sublattice of an atom at the vanishing electric field.

  10. 5 CFR 9701.321 - Structure of bands.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 5 Administrative Personnel 3 2013-01-01 2013-01-01 false Structure of bands. 9701.321 Section 9701... Structure of bands. (a) DHS may, after coordination with OPM, establish ranges of basic pay for bands, with... rates. (b) For each band within an occupational cluster, DHS will establish a common rate range...

  11. 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... Structure of bands. (a) DHS may, after coordination with OPM, establish ranges of basic pay for bands, with... rates. (b) For each band within an occupational cluster, DHS will establish a common rate range...

  12. Band structure of doubly-odd nuclei around mass 130

    SciTech Connect

    Higashiyama, Koji; Yoshinaga, Naotaka

    2011-05-06

    Nuclear structure of the doublet bands in the doubly-odd nuclei with mass A{approx}130 is studied in terms of a pair-truncated shell model. The model reproduces quite well the energy levels of the doublet bands and the electromagnetic transitions. The analysis of the electromagnetic transitions reveals new band structure of the doublet bands.

  13. Banded Structure and Domain Arrangements in PbTiO3 Single Crystals

    NASA Astrophysics Data System (ADS)

    Chou, Chen-Chia; Chen, Cheng-Sao

    1998-09-01

    In the present work we report the ferroelectric domain arrangements and characteristics of banded structures observed in flux-grown PbTiO3 single crystals. Investigations of etched crystals indicate that most of the specimens show banded structures which may correspond to surface relief characteristics of as-grown crystals. Banded structures, which are different from domain structures, possess structural characteristics similar to those of martensite variants in various alloys and ceramics. The stresses produced during transformation were relieved by the formation of the banded structures and the 90° domain structures, suggesting that the band structures and 90° domains are the products of self-accommodation in as-grown PbTiO3 crystals during the cubic/tetragonal (C/T) transformation. Image characteristics imply that banded-structure-induced domain intersections may store high strain energy in lead titanate crystals and therefore hinder polarization switching of the crystals.

  14. 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.

  15. 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.}

  16. 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.

  17. 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.

  18. 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.

  19. Rotational Band Structure in 32Mg

    NASA Astrophysics Data System (ADS)

    Crawford, Heather; NSCL E11029 Collaboration Team

    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, rotational band structures, a characteristic fingerprint of a rigid non-spherical shape, have yet to be observed. 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. 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. This material is based upon work supported by the U.S. DOE, Office of Science, NP Office under Contract No. DE-AC02-05CH11231 (LBNL). GRETINA was funded by the U.S. DOE Office of Science. Operation of the array at NSCL was supported by NSF.

  20. Segmental structure in banded mongoose calls.

    PubMed

    Fitch, W Tecumseh

    2012-12-03

    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.

  1. 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"…

  2. Achieving Higher Energies via Passively Driven X-band Structures

    NASA Astrophysics Data System (ADS)

    Sipahi, Taylan; Sipahi, Nihan; Milton, Stephen; Biedron, Sandra

    2014-03-01

    Due to their higher intrinsic shunt impedance X-band accelerating structures significant gradients with relatively modest input powers, and this can lead to more compact particle accelerators. At the Colorado State University Accelerator Laboratory (CSUAL) we would like to adapt this technology to our 1.3 GHz L-band accelerator system using a passively driven 11.7 GHz traveling wave X-band configuration that capitalizes on the high shunt impedances achievable in X-band accelerating structures in order to increase our overall beam energy in a manner that does not require investment in an expensive, custom, high-power X-band klystron system. Here we provide the design details of the X-band structures that will allow us to achieve our goal of reaching the maximum practical net potential across the X-band accelerating structure while driven solely by the beam from the L-band system.

  3. 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).

  4. Photofield emission spectroscopy of the tungsten <112> band structure

    NASA Astrophysics Data System (ADS)

    Radoń, T.; Jaskółka, S.

    1991-05-01

    Optical transitions in photofield emission (PFE) characteristics from the (112) plane of tungsten have been observed at five values of photon energy in the visible range. To measure very small PFE currents modulated laser radiation and phase-sensitive detection have been used. Shoulders in the characteristics obtained with s-polarized light correspond to transitions in the bulk band structure near the Fermi level in accordance with the theoretical results of Christensen and Feuerbacher [1]. Using p-polarized light, peaks of the surface density of states, lying below the Fermi level, were observed in a good agreement with both the field and photofield emission distributions.

  5. A unified perspective of complex band structure: interpretations, formulations, and applications

    NASA Astrophysics Data System (ADS)

    Reuter, Matthew G.

    2017-02-01

    Complex band structure generalizes conventional band structure by also considering wavevectors with complex components. In this way, complex band structure describes both the bulk-propagating states from conventional band structure and the evanescent states that grow or decay from one unit cell to the next. Even though these latter states are excluded by translational symmetry, they become important when translational symmetry is broken via, for example, a surface or impurity. Many studies over the last 80 years have directly or indirectly developed complex band structure for an impressive range of applications, but very few discuss its fundamentals or compare its various results. In this work we build upon these previous efforts to expose the physical foundation of complex band structure, which mathematically implies its existence. We find that a material’s static and dynamic electronic structure are both completely described by complex band structure. Furthermore, we show that complex band structure reflects the minimal, intrinsic information contained in the material’s Hamiltonian. These realizations then provide a context for comparing and unifying the different formulations and applications of complex band structure that have been reported over the years. Ultimately, this discussion introduces the idea of examining the amount of information contained in a material’s Hamiltonian so that we can find and exploit the minimal information necessary for understanding a material’s properties.

  6. A unified perspective of complex band structure: interpretations, formulations, and applications.

    PubMed

    Reuter, Matthew G

    2017-02-08

    Complex band structure generalizes conventional band structure by also considering wavevectors with complex components. In this way, complex band structure describes both the bulk-propagating states from conventional band structure and the evanescent states that grow or decay from one unit cell to the next. Even though these latter states are excluded by translational symmetry, they become important when translational symmetry is broken via, for example, a surface or impurity. Many studies over the last 80 years have directly or indirectly developed complex band structure for an impressive range of applications, but very few discuss its fundamentals or compare its various results. In this work we build upon these previous efforts to expose the physical foundation of complex band structure, which mathematically implies its existence. We find that a material's static and dynamic electronic structure are both completely described by complex band structure. Furthermore, we show that complex band structure reflects the minimal, intrinsic information contained in the material's Hamiltonian. These realizations then provide a context for comparing and unifying the different formulations and applications of complex band structure that have been reported over the years. Ultimately, this discussion introduces the idea of examining the amount of information contained in a material's Hamiltonian so that we can find and exploit the minimal information necessary for understanding a material's properties.

  7. 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.

  8. Emergence of topological bands on the surface of ZrSnTe crystal

    NASA Astrophysics Data System (ADS)

    Lou, R.; Ma, J.-Z.; Xu, Q.-N.; Fu, B.-B.; Kong, L.-Y.; Shi, Y.-G.; Richard, P.; Weng, H.-M.; Fang, Z.; Sun, S.-S.; Wang, Q.; Lei, H.-C.; Qian, T.; Ding, H.; Wang, S.-C.

    2016-06-01

    By using angle-resolved photoemission spectroscopy combined with first-principles calculations, we reveal that the topmost unit cell of ZrSnTe crystal hosts two-dimensional (2D) electronic bands of the topological insulator (TI) state, although such a TI state is defined with a curved Fermi level instead of a global band gap. Furthermore, we find that by modifying the dangling bonds on the surface through hydrogenation, this 2D band structure can be manipulated so that the expected global energy gap is most likely to be realized. This facilitates the practical applications of 2D TI in heterostructural devices and those with surface decoration and coverage. Since ZrSnTe belongs to a large family of compounds having the similar crystal and band structures, our findings shed light on identifying more 2D TI candidates and superconductor-TI heterojunctions supporting topological superconductors.

  9. Möbius bands, unstretchable material sheets and developable surfaces

    PubMed Central

    Chen, Yi-chao

    2016-01-01

    A Möbius band can be formed by bending a sufficiently long rectangular unstretchable material sheet and joining the two short ends after twisting by 180°. This process can be modelled by an isometric mapping from a rectangular region to a developable surface in three-dimensional Euclidean space. Attempts have been made to determine the equilibrium shape of a Möbius band by minimizing the bending energy in the class of mappings from the rectangular region to the collection of developable surfaces. In this work, we show that, although a surface obtained from an isometric mapping of a prescribed planar region must be developable, a mapping from a prescribed planar region to a developable surface is not necessarily isometric. Based on this, we demonstrate that the notion of a rectifying developable cannot be used to describe a pure bending of a rectangular region into a Möbius band or a generic ribbon, as has been erroneously done in many publications. Specifically, our analysis shows that the mapping from a prescribed planar region to a rectifying developable surface is isometric only if that surface is cylindrical with the midline being the generator. Towards providing solutions to this issue, we discuss several alternative modelling strategies that respect the distinction between the physical constraint of unstretchability and the geometrical notion of developability. PMID:27616933

  10. 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

  11. The energy band structure of Si and Ge nanolayers

    NASA Astrophysics Data System (ADS)

    Wu, Xueke; Huang, Weiqi; Huang, Zhongmei; Qin, Chaojie; Tang, Yanlin

    2016-12-01

    First-principles calculation based on density functional theory (DFT) with the generalized gradient approximation (GGA) were carried out to investigate the energy band gap structure of Si and Ge nanofilms. Calculation results show that the band gaps of Si(111) and Ge(110) nanofilms are indirect structures and independent of film thickness, the band gaps of Si(110) and Ge(100) nanofilms could be transfered into the direct structure for nanofilm thickness of less than a certain value, and the band gaps of Si(100) and Ge(111) nanofilms are the direct structures in the present model thickness range (about 7 nm). Moreover, the changes of the band gaps on the Si and Ge nanofilms follow the quantum confinement effects. It will be a good way to obtain direct band gap emission in Si and Ge materials, and to develop Si and Ge laser on Si chip.

  12. 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.

  13. Engineering the electronic band structure for multiband solar cells.

    PubMed

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

    2011-01-14

    Using the unique features of the electronic band structure of GaN(x)As(1-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.

  14. Universality of Mallmann correlations for nuclear band structures

    NASA Astrophysics Data System (ADS)

    Bucurescu, D.; Zamfir, N. V.; Cǎta-Danil, G.; Ivaşcu, M.; Mǎrginean, N.

    2008-11-01

    It is shown that the Mallmann's energy ratio correlations, first time proposed 50 years ago for the ground state bands of the even-even nuclei, are universal: all band structures in collective nuclei obey the same systematics. Based on a second order anharmonic vibrator description, parameter-free recurrence relations are proposed for Mallmann-type energy ratios, which can be used to extrapolate band structures to higher spin.

  15. Vorticity structuring and velocity rolls triggered by gradient shear bands.

    PubMed

    Fielding, Suzanne M

    2007-07-01

    We suggest a mechanism by which vorticity structuring and velocity rolls can form in complex fluids, triggered by the linear instability of one-dimensional gradient shear banded flow. We support this with a numerical study of the diffusive Johnson-Segalman model. In the steady vorticity structured state, the thickness of the interface between the bands remains finite in the limit of zero stress diffusivity, presenting a possible challenge to the accepted theory of shear banding.

  16. Weak morphology dependent valence band structure of boron nitride

    NASA Astrophysics Data System (ADS)

    Zhi, Chunyi; Ueda, Shigenori; Zeng, Haibo; Wang, Xuebin; Tian, Wei; Wang, Xi; Bando, Yoshio; Golberg, Dmitri

    2013-08-01

    We report a hard X-ray photoelectron spectroscopy (HX-PES) investigation on valence band structure of Boron Nitrides (BN) having different morphologies, including nanosheets, nanotubes, and micro-sized particles. Very weak morphology/valence band structure dependence was observed. For each case, the B-N π-band overlapping with σ-band between 0 to -12.5 eV and the s-band below -15 eV were identified. No obvious morphology-induced band shifts and intensity variations were observed. First-principles calculations based on density functional theory were performed and the results were compared with the experimental data. This theoretical analysis well explains the weak morphology dependent valence band spectra of BN nanomaterials obtained during HX-PES measurements.

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

    SciTech Connect

    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.

  18. Band structure controlled by chiral imprinting

    NASA Astrophysics Data System (ADS)

    Castro-Garay, P.; Adrian Reyes, J.; Ramos-Garcia, R.

    2007-09-01

    Using the configuration of an imprinted cholesteric elastomer immersed in a racemic solvent, the authors find the solution of the boundary-value problem for the reflection and transmission of incident optical waves due to the elastomer. They show a significant width reduction of the reflection band for certain values of nematic penetration depth, which depends on the volume fraction of molecules from the solvent, whose handedness is preferably absorbed. The appearance of nested band gaps of both handednesses during the sorting mixed chiral process is also obtained. This suggests the design of chemically controlled optical filters and optically monitored chiral pumps.

  19. Band structures in the nematic elastomers phononic crystals

    NASA Astrophysics Data System (ADS)

    Yang, Shuai; Liu, Ying; Liang, Tianshu

    2017-02-01

    As one kind of new intelligent materials, nematic elastomers (NEs) represent an exciting physical system that combines the local orientational symmetry breaking and the entropic rubber elasticity, producing a number of unique physical phenomena. In this paper, the potential application of NEs in the band tuning is explored. The band structures in two kinds of NE phononic crystals (PCs) are investigated. Through changing NE intrinsic parameters, the influence of the porosity, director rotation and relaxation on the band structures in NE PCs are analyzed. This work is a meaningful try for application of NEs in acoustic field and proposes a new intelligent strategy in band turning.

  20. Banded surface flow maintained by convection in a model of the rapidly rotating giant planets

    NASA Astrophysics Data System (ADS)

    Sun, Z.-P.; Schubert, G.; Glatzmaier, G. A.

    1993-04-01

    In three-dimensional numerical simulations of a rapidly rotating Boussinesq fluid shell, thermally driven convection in the form of columns parallel to the rotation axis generates an alternately directed mean zonal flow with a cylindrical structure. The mean structure at the outer spherical surface consists of a broad eastward flow at the equator and alternating bands of westward and eastward flows at higher latitudes in both hemispheres. The banded structure persists even though the underlying convective motions are time-dependent. These results, although still far from the actual motions seen on Jupiter and Saturn, provide support for theoretical suggestions that thermal convection can account for the remarkable banded flow structures on these planets.

  1. Probing the band structure and local electronic properties of low-dimensional semiconductor structures

    NASA Astrophysics Data System (ADS)

    Walrath, Jenna Cherie

    comparison to that of the 2D alloy layer. The surface composition and band structure of ordered horizontal Sb2Te3 nanowires induced by femtosecond laser irradiation of a thin film are investigated, revealing a band gap modulation between buried Sb2Te3 nanowires and the surrounding insulating material. Finally, STM and STS are used to investigate the band structure of BiSbTe alloys at room temperature, revealing both the Fermi level and Dirac point located inside the bulk bandgap, indicating bulk-like insulating behavior with accessible surface states.

  2. 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.

  3. Universality of Mallmann correlations for nuclear band structures

    NASA Astrophysics Data System (ADS)

    Bucurescu, D.; Zamfir, N. V.; Căta-Danil, G.; Ivaşcu, M.; Mărginean, N.

    2008-10-01

    It is shown that the Mallmann's energy ratio correlations, for the first time observed for the ground state band of the even-even nuclei, are universal: various band structures in all collective nuclei obey the same systematics, and consequently the same spin dependence. Based on a second order anharmonic vibrator description, parameter-free recurrence relations between Mallmann-type energy ratios are deduced, which can be used to extrapolate bands to higher spin.

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

    PubMed

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

    2015-05-27

    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.

  5. 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.

  6. 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.

  7. Detailed Study of the TE band structure of two dimensional metallic photonic crystals with square symmetry

    NASA Astrophysics Data System (ADS)

    Sedghi, Aliasghar; Valiaghaie, Soma; Soufiani, Ahad Rounaghi

    2014-10-01

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

  8. 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.

  9. Band structure in Yang-Mills theories

    NASA Astrophysics Data System (ADS)

    Bachas, Constantin; Tomaras, Theodore

    2016-05-01

    We show how Yang-Mills theory on S3 × ℝ can exhibit a spectrum with continuous bands if coupled either to a topological 3-form gauge field, or to a dynamical axion with heavy Peccei-Quinn scale. The basic mechanism consists in associating winding histories to a bosonic zero mode whose role is to convert a circle in configuration space into a helix. The zero mode is, respectively, the holonomy of the 3-form field or the axion momentum. In these models different θ sectors coexist and are only mixed by (non-local) volume operators. Our analysis sheds light on, and extends Seiberg's proposal for modifying the topological sums in quantum field theories. It refutes a recent claim that B + L violation at LHC is unsuppressed.

  10. Unfolding the band structure of GaAsBi

    NASA Astrophysics Data System (ADS)

    Maspero, R.; Sweeney, S. J.; Florescu, Marian

    2017-02-01

    Typical supercell approaches used to investigate the electronic properties of GaAs(1-x)Bi(x) produce highly accurate, but folded, band structures. Using a highly optimized algorithm, we unfold the band structure to an approximate E≤ft(\\mathbf{k}\\right) relation associated with an effective Brillouin zone. The dispersion relations we generate correlate strongly with experimental results, confirming that a regime of band gap energy greater than the spin-orbit-splitting energy is reached at around 10% bismuth fraction. We also demonstrate the effectiveness of the unfolding algorithm throughout the Brillouin zone (BZ), which is key to enabling transition rate calculations, such as Auger recombination rates. Finally, we show the effect of disorder on the effective masses and identify approximate values for the effective mass of the conduction band and valence bands for bismuth concentrations from 0-12%.

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

    DOE PAGES

    Vasseur, Guillaume; Fagot-Revurat, Yannick; Sicot, Muriel; ...

    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

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

    SciTech Connect

    Vasseur, Guillaume; Galeotti, Gianluca; Lipton-Duffin, Josh; Rosei, Frederico; Giovannantonio, Marco Di; Giorgio, Contini; Fèvre, Patrick Le; Bertran, François; Liang, Liangbo; Meunier, Vincent; Perepichka, Dmitrii F.

    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, 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.

  13. A Novel Broadband Band-pass Filter Based on Spoof Surface Plasmon Polaritons

    NASA Astrophysics Data System (ADS)

    Zhao, Lei; Zhang, Xin; Wang, Jun; Yu, Wenhua; Li, Jiandong; Su, Hai; Shen, Xiaopeng

    2016-10-01

    In this paper, we present a novel broadband bandpass filter based on spoof surface plasmon polaritons (SSPPs) in the microwave frequency band. The proposed bandpass filter includes three parts: (1) coplanar waveguide (CPW); (2) matching transition; and (3) coupled structure that is an asymmetric coupled filter constructed by five grooved strips. The proposed bandpass filter realizes excellent low loss performance from 7 to 10 GHz, in which its insertion loss is around 1.5 dB in the same frequency band. Meanwhile, this filter has a good band stop characteristic from 3 to 7 GHz. A simple but accurate transmission line model was proposed to evaluate the proposed broadband SSPPs filter. The measured data, simulated results and the results obtained from the transmission line model have shown a very good agreement. The proposed planar broadband filter plays an important role for filtering surface plasmon polaritons (SPPs) waves in plasmonic circuits and systems.

  14. 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.

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

    NASA Astrophysics Data System (ADS)

    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

    2014-06-01

    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.

  16. A Novel Broadband Band-pass Filter Based on Spoof Surface Plasmon Polaritons

    PubMed Central

    Zhao, Lei; Zhang, Xin; Wang, Jun; Yu, Wenhua; Li, Jiandong; Su, Hai; Shen, Xiaopeng

    2016-01-01

    In this paper, we present a novel broadband bandpass filter based on spoof surface plasmon polaritons (SSPPs) in the microwave frequency band. The proposed bandpass filter includes three parts: (1) coplanar waveguide (CPW); (2) matching transition; and (3) coupled structure that is an asymmetric coupled filter constructed by five grooved strips. The proposed bandpass filter realizes excellent low loss performance from 7 to 10 GHz, in which its insertion loss is around 1.5 dB in the same frequency band. Meanwhile, this filter has a good band stop characteristic from 3 to 7 GHz. A simple but accurate transmission line model was proposed to evaluate the proposed broadband SSPPs filter. The measured data, simulated results and the results obtained from the transmission line model have shown a very good agreement. The proposed planar broadband filter plays an important role for filtering surface plasmon polaritons (SPPs) waves in plasmonic circuits and systems. PMID:27796313

  17. 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

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

    PubMed

    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

    2014-06-05

    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.

  19. Active Narrow-Band Vibration Isolation of Large Engineering Structures

    NASA Technical Reports Server (NTRS)

    Rahman, Zahidul; Spanos, John

    1994-01-01

    We present a narrow-band tracking control method using a variant of the Least Mean Squares (LMS) algorithm to isolate slowly changing periodic disturbances from engineering structures. The advantage of the algorithm is that it has a simple architecture and is relatively easy to implement while it can isolate disturbances on the order of 40-50 dB over decades of frequency band. We also present the results of an experiment conducted on a flexible truss structure. The average disturbance rejection achieved is over 40 dB over the frequency band of 5 Hz to 50 Hz.

  20. Locally resonant periodic structures with low-frequency band gaps

    NASA Astrophysics Data System (ADS)

    Cheng, Zhibao; Shi, Zhifei; Mo, Y. L.; Xiang, Hongjun

    2013-07-01

    Presented in this paper are study results of dispersion relationships of periodic structures composited of concrete and rubber, from which the frequency band gap can be found. Two models with fixed or free boundary conditions are proposed to approximate the bound frequencies of the first band gap. Studies are conducted to investigate the low-frequency and directional frequency band gaps for their application to engineering. The study finds that civil engineering structures can be designed to block harmful waves, such as earthquake disturbance.

  1. Calculation of 2D electronic band structure using matrix mechanics

    NASA Astrophysics Data System (ADS)

    Pavelich, R. L.; Marsiglio, F.

    2016-12-01

    We extend previous work, applying elementary matrix mechanics to one-dimensional periodic arrays (to generate energy bands), to two-dimensional arrays. We generate band structures for the square-lattice "2D Kronig-Penney model" (square wells), the "muffin-tin" potential (circular wells), and Gaussian wells. We then apply the method to periodic arrays of more than one atomic site in a unit cell, specifically to the case of materials with hexagonal lattices like graphene. These straightforward extensions of undergraduate-level calculations allow students to readily determine band structures of current research interest.

  2. Banded Electron Structure Formation in the Inner Magnetosphere

    NASA Technical Reports Server (NTRS)

    Liemohn, M. W.; Khazanov, G. V.

    1997-01-01

    Banded electron structures in energy-time spectrograms have been observed in the inner magnetosphere concurrent with a sudden relaxation of geomagnetic activity. In this study, the formation of these banded structures is considered with a global, bounce-averaged model of electron transport, and it is concluded that this structure is a natural occurrence when plasma sheet electrons are captured on closed drift paths near the Earth. These bands do not appear unless there is capture of plasma sheet electrons; convection along open drift paths making open pass around the Earth do not have time to develop this feature. The separation of high-energy bands from the injection population due to the preferential advection of the gradient-curvature drift creates spikes in the energy distribution, which overlap to form a series of bands in the energy spectrograms. The lowest band is the bulk of the injected population in the sub-key energy range. Using the Kp history for an observed banded structure event, a cloud of plasma sheet electrons is captured and the development of their distribution function is examined and discussed.

  3. 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.

  4. Red-cell glycophorin A-band 3 interactions associated with the movement of band 3 to the cell surface.

    PubMed Central

    Young, M T; Beckmann, R; Toye, A M; Tanner, M J

    2000-01-01

    We have examined the mechanism by which glycophorin A (GPA) facilitates the movement of the human red-cell anion exchanger (band 3, AE1) to the cell surface. GPA itself forms stable dimers in membranes and detergent solution. Four mutants of human GPA with impaired dimerization were prepared (L75I, I76A, G79L and G83L). All four GPA mutants enhanced band 3 translocation to the Xenopus oocyte plasma membrane in the same way as wild-type GPA, showing that the GPA monomer is sufficient to mediate this process. Cell-surface expression of the natural band 3 mutant G701D has an absolute requirement for GPA. GPA monomers also rescued the cell-surface expression of this mutant band 3. Taking into account other evidence, we infer that the site of GPA interaction with band 3 is located outside the GPA dimerization interface but within the GPA transmembrane span. The results of examination of the cell-surface expression of GPA and band 3 in different K562 erythroleukaemia cell clones stably transfected with band 3 are consistent with the movement of GPA and band 3 to the cell surface together. We discuss the pathways by which band 3 moves to the cell surface in the presence and the absence of GPA, concluding that GPA has a role in enhancing the folding and maturation of band 3. We propose that GPA functions in erythroid cells to assist with the incorporation of large amounts of properly folded band 3 into the membrane within a limited time span during erythroid maturation. PMID:10926825

  5. Automated effective band structures for defective and mismatched supercells

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    Brommer, Peter; Quigley, David

    2014-12-03

    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.

  7. Band-structure engineering in conjugated 2D polymers.

    PubMed

    Gutzler, Rico

    2016-10-26

    Conjugated polymers find widespread application in (opto)electronic devices, sensing, and as catalysts. Their common one-dimensional structure can be extended into the second dimension to create conjugated planar sheets of covalently linked molecules. Extending π-conjugation into the second dimension unlocks a new class of semiconductive polymers which as a consequence of their unique electronic properties can find usability in numerous applications. In this article the theoretical band structures of a set of conjugated 2D polymers are compared and information on the important characteristics band gap and valence/conduction band dispersion is extracted. The great variance in these characteristics within the investigated set suggests 2D polymers as exciting materials in which band-structure engineering can be used to tailor sheet-like organic materials with desired electronic properties.

  8. 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.

  9. Fabrication of frequency selective surface for band stop IR-filter

    NASA Astrophysics Data System (ADS)

    Mishra, Akshita; Sudheer, Tiwari, P.; Mondal, P.; Bhatt, H.; Rai, V. N.; Srivastava, A. K.

    2016-05-01

    Fabrication and characterization of frequency selective surfaces (FSS) on silicon dioxide/ silicon is reported. Electron beam lithography based techniques are used for the fabrication of periodic slot structure in tungsten layer on silicon dioxide/silicon. The fabrication process consists of growth of SiO2 on silicon, tungsten deposition, electron beam lithography, and wet etching of tungsten. The optical characterization of the structural pattern was carried out using fourier transform infrared spectroscopy (FTIR). The reflectance spectra clearly show a resonance peak at 9.09 µm in the mid infrared region. This indicates that the patterned surface acts as band stop filter in the mid-infrared region.

  10. Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene.

    PubMed

    Paavilainen, Sami; Ropo, Matti; Nieminen, Jouko; Akola, Jaakko; Räsänen, Esa

    2016-06-08

    We uncover the electronic structure of molecular graphene produced by adsorbed CO molecules on a copper (111) surface by means of first-principles calculations. Our results show that the band structure is fundamentally different from that of conventional graphene, and the unique features of the electronic states arise from coexisting honeycomb and Kagome symmetries. Furthermore, the Dirac cone does not appear at the K-point but at the Γ-point in the reciprocal space and is accompanied by a third, almost flat band. Calculations of the surface structure with Kekulé distortion show a gap opening at the Dirac point in agreement with experiments. Simple tight-binding models are used to support the first-principles results and to explain the physical characteristics behind the electronic band structures.

  11. 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).

  12. Sulfur passivation of GaAs surfaces: A model for reduced surface recombination without band flattening

    NASA Astrophysics Data System (ADS)

    Spindt, C. J.; Spicer, W. E.

    1989-10-01

    It has been shown by several workers that the passivation of GaAs surfaces using sulfides results in a large reduction in the surface recombination velocity accompanied by an increase in the band bending on n-type samples. This apparently contradictory pair of results leads to the suggestion that the responsible electronic states are a midgap donor compensated by an acceptor near the valence-band maximum. We explore the consequences of such a model, particularly when the midgap state is assumed to be a double donor. In the double donor case, simple qualitative arguments indicate that the surface recombination velocity can be reduced by a factor much greater than the reduction in surface-state density. The model is consistent with observations made using a variety of experimental techniques. A correlation between the electronic states and surface chemistry is made, and the As and Ga antisite defects are discussed as candidates for the donor and acceptor states.

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

    NASA Astrophysics Data System (ADS)

    Yan, Zhi-Zhong; Zhang, Chuanzeng

    2012-03-01

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

  14. 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

    2011-10-07

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

  15. Surface structure and electronic properties of materials

    NASA Technical Reports Server (NTRS)

    Siekhaus, W. J.; Somorjai, G. A.

    1975-01-01

    A surface potential model is developed to explain dopant effects on chemical vapor deposition. Auger analysis of the interaction between allotropic forms of carbon and silicon films has shown Si-C formation for all forms by glassy carbon. LEED intensity measurements have been used to determine the mean square displacement of surface atoms of silicon single crystals, and electron loss spectroscopy has shown the effect of structure and impurities on surface states located within the band gap. A thin film of Al has been used to enhance film crystallinity at low temperature.

  16. Calculation of RIXS spectra of cuprates using band structure parameters

    NASA Astrophysics Data System (ADS)

    Shi, Yifei; Klich, Israel; Benjamin, David; Demler, Eugene

    2015-03-01

    We explore the quasi particle theory to study the Resonant Inelastic X-ray Scattering(RIXS) by using the band structure parameters. We use both the determinant method(D. Benjamin, I. Klich and E. Demler, Phys. Rev. Lett. 112, 247002(2014)) and the expansion in the core-hole potential. The methods are applied to the (CaxLa1?x)(Ba1 . 75 - xLa0 . 25 + x)Cu3Oy, (x= 0 . 1 and 0 . 4). We find that by using the band structure alone we can obtain quantitative agreement with the experimental data, especially for the position of the peak.

  17. 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.

  18. Tunable band structure and effective mass of disordered chalcopyrite

    NASA Astrophysics Data System (ADS)

    Wang, Ze-Lian; Xie, Wen-Hui; Zhao, Yong-Hong

    2017-02-01

    The band structure and effective mass of disordered chalcopyrite photovoltaic materials Cu1- x Ag x Ga X 2 ( X = S, Se) are investigated by density functional theory. Special quasirandom structures are used to mimic local atomic disorders at Cu/Ag sites. A local density plus correction method is adopted to obtain correct semiconductor band gaps for all compounds. The bandgap anomaly can be seen for both sulfides and selenides, where the gap values of Ag compounds are larger than those of Cu compounds. Band gaps can be modulated from 1.63 to 1.78 eV for Cu1- x Ag x Ga Se 2, and from 2.33 to 2.64 eV for Cu1- x Ag x Ga S 2. The band gap minima and maxima occur at around x = 0:5 and x = 1, respectively, for both sulfides and selenides. In order to show the transport properties of Cu1- x Ag x Ga X 2, the effective mass is shown as a function of disordered Ag concentration. Finally, detailed band structures are shown to clarify the phonon momentum needed by the fundamental indirect-gap transitions. These results should be helpful in designing high-efficiency photovoltaic devices, with both better absorption and high mobility, by Ag-doping in CuGa X 2.

  19. 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

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

    PubMed

    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 Au/Si(111) √3 x √3 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 Au/Si(111) √3 x √3 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.

  1. Reconfigurable wave band structure of an artificial square ice

    SciTech Connect

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

    2016-04-18

    Artificial square ices are structures composed of magnetic nanoelements arranged on the sites of a twodimensional 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.

  2. Reconfigurable wave band structure of an artificial square ice

    DOE PAGES

    lacocca, Ezio; Gliga, Sebastian; Stamps, Robert L.; ...

    2016-04-18

    Artificial square ices are structures composed of magnetic nanoelements arranged on the sites of a twodimensional 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.more » 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.« less

  3. Band structure mapping of bilayer graphene via quasiparticle scattering

    NASA Astrophysics Data System (ADS)

    Yankowitz, Matthew; Wang, Joel I.-Jan; Li, Suchun; Birdwell, A. Glen; Chen, Yu-An; Watanabe, Kenji; Taniguchi, Takashi; Quek, Su Ying; Jarillo-Herrero, Pablo; LeRoy, Brian J.

    2014-09-01

    A perpendicular electric field breaks the layer symmetry of Bernal-stacked bilayer graphene, resulting in the opening of a band gap and a modification of the effective mass of the charge carriers. Using scanning tunneling microscopy and spectroscopy, we examine standing waves in the local density of states of bilayer graphene formed by scattering from a bilayer/trilayer boundary. The quasiparticle interference properties are controlled by the bilayer graphene band structure, allowing a direct local probe of the evolution of the band structure of bilayer graphene as a function of electric field. We extract the Slonczewski-Weiss-McClure model tight binding parameters as γ0 = 3.1 eV, γ1 = 0.39 eV, and γ4 = 0.22 eV.

  4. Band energy control of molybdenum oxide by surface hydration

    SciTech Connect

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

    2015-12-07

    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 MoO{sub x}, in the context of polymer-fullerene solar cells based on PCDTBT. We obtain excellent agreement with experimental values of the ionization potential for pristine MoO{sub 3} (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.

  5. 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.

  6. Isolated true surface wave in a radiative band on a surface of a stressed auxetic.

    PubMed

    Trzupek, D; Zieliński, P

    2009-08-14

    We demonstrate that a surface resonance (pseudosurface wave) may transform into a true surface wave, i.e., acquire an infinite lifetime, at a single isolated point within a bulk band (radiative region) in a model of a stressed auxetic material. In contrast with the secluded supersonic elastic surface waves, the one found here does not belong to a dispersion line of true surface waves. Therefore we propose to call it an isolated true surface wave (ITSW). The ITSW manifests itself by a deltalike peak in the local density of states and by anomalies in reflection coefficients. The phenomenon may be useful in redirecting energy and/or information from the bulk to the surface in devices supporting guided acoustic waves.

  7. Band-structure loops and multistability in cavity QED

    NASA Astrophysics Data System (ADS)

    Prasanna Venkatesh, B.; Larson, J.; O'Dell, D. H. J.

    2011-06-01

    We calculate the band structure of ultracold atoms located inside a laser-driven optical cavity. For parameters where the atom-cavity system exhibits bistability, the atomic band structure develops loop structures akin to the ones predicted for Bose-Einstein condensates in ordinary (noncavity) optical lattices. However, in our case the nonlinearity derives from the cavity back-action rather than from direct interatomic interactions. We find both bi- and tristable regimes associated with the lowest band, and show that the multistability we observe can be analyzed in terms of swallowtail catastrophes. Dynamic and energetic stability of the mean-field solutions is also discussed, and we show that the bistable solutions have, as expected, one unstable and two stable branches. The presence of loops in the atomic band structure has important implications for proposals concerning Bloch oscillations of atoms inside optical cavities [Peden , Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.80.043803 80, 043803 (2009); Prasanna Venkatesh , Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.80.063834 80, 063834 (2009)].

  8. Plasmonic band structures and optical properties of subwavelength metal/dielectric/metal Bragg waveguides.

    PubMed

    Li, Chao; Zhou, Yun-Song; Wang, Huai-Yu

    2012-03-26

    In this paper, we applied the band structure theory to investigate the plasmonic band (PB) structures and optical properties of subwavelength metal/dielectric/metal Bragg waveguides in the near infrared range with either dielectric or geometric modulation. The Bloch wave vector, density of states, slowdown factor, propagation length and transmittance are calculated and analyzed. Both the modulations are in favor of manipulating surface-plasmon-polariton (SPP) waves. For the dielectric modulation, the PB structure is mainly formed by SPP modes and possesses a "regular pattern" in which the bands and gaps have a relatively even distribution. For the geometric modulation, due to the strong transverse scattering, the contributions of higher modes have to be considered and the gap widths have a significant increase compared to the dielectric modulation. A larger slowdown factor may emerge at the band edge; especially for the geometric modulation, the group velocity can be reduced to 1/100 of light, and negative group velocity is observed as well. While inside the bands, the slowdown factor is smaller and the bands are flat. The contribution of each eigenmode to the PB structure is analyzed.

  9. Photonic crystal digital alloys and their band structure properties.

    PubMed

    Lee, Jeongkug; Kim, Dong-Uk; Jeon, Heonsu

    2011-09-26

    We investigated semi-disordered photonic crystals (PCs), digital alloys, and made thorough comparisons with their counterparts, random alloys. A set of diamond lattice PC digital alloys operating in a microwave regime were prepared by alternately stacking two kinds of sub-PC systems composed of alumina and silica spheres of the same size. Measured transmission spectra as well as calculated band structures revealed that when the digital alloy period is short, band-gaps of the digital alloys are practically the same as those of the random alloys. This study indicates that the concept of digital alloys holds for photons in PCs as well.

  10. Switching band-gaps of a phononic crystal slab by surface instability

    NASA Astrophysics Data System (ADS)

    Bayat, Alireza; Gordaninejad, Faramarz

    2015-07-01

    High-amplitude wrinkle formation is employed to propose a one-dimensional phononic crystal slab consists of a thin film bonded to a thick compliant substrate. Buckling induced surface instability generates a wrinkly structure triggered by a compressive strain. It is demonstrated that a surface periodic pattern and corresponding stress can control elastic wave propagation in the low thickness composite slab. Simulation results show that the periodic wrinkly structure can be used as a transformative phononic crystal that can switch the band diagram of the structure in a reversible manner. The results of this study provide opportunities for the smart design of tunable switches and frequency filters at ultrasonic and hypersonic frequency ranges.

  11. Surface Material Characterization from Multi-band Optical Observations

    DTIC Science & Technology

    2010-09-01

    telescope provides visible-band and long- wavelength thermal infrared images with adaptive optics compensation to remove atmospheric blurring. In...addition, the AMOS Gemini 1.6m telescope system provides daytime visible-band and near- infrared speckle images. These systems reveal a great deal of

  12. From lattice Hamiltonians to tunable band structures by lithographic design

    NASA Astrophysics Data System (ADS)

    Tadjine, Athmane; Allan, Guy; Delerue, Christophe

    2016-08-01

    Recently, new materials exhibiting exotic band structures characterized by Dirac cones, nontrivial flat bands, and band crossing points have been proposed on the basis of effective two-dimensional lattice Hamiltonians. Here, we show using atomistic tight-binding calculations that these theoretical predictions could be experimentally realized in the conduction band of superlattices nanolithographed in III-V and II-VI semiconductor ultrathin films. The lithographed patterns consist of periodic lattices of etched cylindrical holes that form potential barriers for the electrons in the quantum well. In the case of honeycomb lattices, the conduction minibands of the resulting artificial graphene host several Dirac cones and nontrivial flat bands. Similar features, but organized in different ways, in energy or in k -space are found in kagome, distorted honeycomb, and Lieb superlattices. Dirac cones extending over tens of meV could be obtained in superlattices with reasonable sizes of the lithographic patterns, for instance in InAs/AlSb heterostructures. Bilayer artificial graphene could be also realized by lithography of a double quantum-well heterostructure. These new materials should be interesting for the experimental exploration of Dirac-based quantum systems, for both fundamental and applied physics.

  13. 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

  14. Cherenkov oscillator operating at the second band gap of leakage waveguide structures

    NASA Astrophysics Data System (ADS)

    Jang, Kyu-Ha; Park, Seong Hee; Lee, Kitae; Jeong, Young Uk

    2016-10-01

    An electromagnetic wave source operating around second band gaps of metallic grating structures is presented. The considered metallic grating structures are not perfect periodic but inhomogeneously structured within a period to have a second band gap where the wavelength is equal to the period of the structures. The radiation mechanism by an electron beam in the structures is different from the well-known Smith-Purcell radiation occurring in perfect periodic grating structures. That is, the radiating wave has a single frequency and the radiation is unidirectional. When the energy of the electron beam is synchronized at the standing wave point in the dispersion curves, strong interaction happens and coherent radiation perpendicular to the grating surface is generated with relatively lower starting oscillation current.

  15. Unfolding of collapsed polymers in shear flow: effects of colloid banding structures in confining channels.

    PubMed

    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.

  16. Exciton band structure in two-dimensional materials

    NASA Astrophysics Data System (ADS)

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

    In low-dimensional materials the screening of the Coulomb interaction is strongly reduced. As a consequence, the binding energy of both Wannier and Frenkel excitons in the optical spectra is large and comparable in size. Therefore, contrarily to bulk materials, it cannot serve as a criterion to distinguish different kinds of excitons. 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 BN, 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 hopping terms related to the electronic band structure.

  17. Semiempirical band structure calculations on skutterudite-type compounds

    NASA Astrophysics Data System (ADS)

    Partik, M.; Lutz, H. D.

    Semiempirical band structure calculations were performed on several skutterudite-type compounds by using the extended Hückel method. Starting with the molecular orbital calculations on isolated P4 and As4 rings, the reason for the band dispersions of the skutterudites was found to be the interactions between the nonmetal atoms. Both the intermolecular and the intramolecular interactions between the phosphorus atoms are stronger than those between the arsenic atoms. Hence, the dispersion of the bands in CoP3 is larger than that in CoAs3. The COOP (crystal orbital overlap population) integrals of the intramolecular P-P bonds reveal the relation between the valence electron count and the observed bond lengths. The P-P bonds in the skutterudite-type compounds like TP3 (T=Co, Rh, Ir) become stronger by reduction as in NiP3 and weaker by oxidation as in RT4X12 (X=P, As, Sb; R=alkaline earth or rare earth metals) because the bands near the Fermi level are bonding. The electronic reason for the geometric distortion of the Ge2Y2 (Y=S, Se) units of mixed skutterudites TGe1.5Y1.5 is caused by an electron pair gap on germanium, which corresponds to low electron density perpendicular to the ring plane on the germanium atoms.

  18. 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.

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

    SciTech Connect

    Nagata, T.; Chikyow, T.; Oh, S.; Wakayama, Y.; Yamashita, Y.; Yoshikawa, H.; Kobayashi, K.; Ikeno, N.

    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.

  20. 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.

  1. 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.

  2. Importance of bulk states for the electronic structure of semiconductor surfaces: implications for finite slabs

    NASA Astrophysics Data System (ADS)

    Sagisaka, Keisuke; Nara, Jun; Bowler, David

    2017-04-01

    We investigate the influence of slab thickness on the electronic structure of the Si(1 0 0)- p(2× 2 ) surface in density functional theory (DFT) calculations, considering both density of states and band structure. Our calculations, with slab thicknesses of up to 78 atomic layers, reveal that the slab thickness profoundly affects the surface band structure, particularly the dangling bond states of the silicon dimers near the Fermi level. We find that, to precisely reproduce the surface bands, the slab thickness needs to be large enough to completely converge the bulk bands in the slab. In the case of the Si(1 0 0) surface, the dispersion features of the surface bands, such as the band shape and width, converge when the slab thickness is larger than 30 layers. Complete convergence of both the surface and bulk bands in the slab is only achieved when the slab thickness is greater than 60 layers.

  3. A Study of Higher-Band Dipole Wakefields in X-Band Accelerating Structures for the G/NLC

    SciTech Connect

    Jones, R

    2004-09-02

    The X-band linacs for the G/NLC (Global/Next Linear Collider) have evolved from the DDS (Damped Detuned Structure) series. The present accelerating structures are 60 cm in length and incorporate damping and detuning of the dipole modes which comprise the wakefield. In order to adequately damp the wakefield, frequencies of adjacent structures are interleaved. Limited analysis has been done previously on the higher order dipole bands. Here, we calculate the contribution of higher order bands of interleaved structures to the wakefield. Beam dynamics issues are also studied.

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

    SciTech Connect

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

    2009-12-10

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

  5. 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.

  6. 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.

  7. Surface Coatings for Low Emittance in the Thermal Surveillance Band

    DTIC Science & Technology

    1984-08-01

    radiation emanating from the sky during the day and at night [13]; 2 - (2) -the geometry, surface topography, and surface cleanliness of the target and the... surface cleanliness . A description of terms and definitions used in reflectometry is provided by Judd [19] and Overington (20]. Measurement standards

  8. Band structure and spin texture of Bi2Se3 3 d ferromagnetic metal interface

    NASA Astrophysics Data System (ADS)

    Zhang, Jia; Velev, Julian P.; Dang, Xiaoqian; Tsymbal, Evgeny Y.

    2016-07-01

    The spin-helical surface states in a three-dimensional topological insulator (TI), such as Bi2Se3 , are predicted to have superior efficiency in converting charge current into spin polarization. This property is said to be responsible for the giant spin-orbit torques observed in ferromagnetic metal/TI structures. In this work, using first-principles and model tight-binding calculations, we investigate the interface between the topological insulator Bi2Se3 and 3 d -transition ferromagnetic metals Ni and Co. We find that the difference in the work functions of the topological insulator and the ferromagnetic metals shift the topological surface states down about 0.5 eV below the Fermi energy where the hybridization of these surface states with the metal bands destroys their helical spin structure. The band alignment of Bi2Se3 and Ni (Co) places the Fermi energy far in the conduction band of bulk Bi2Se3 , where the spin of the carriers is aligned with the magnetization in the metal. Our results indicate that the topological surface states are unlikely to be responsible for the huge spin-orbit torque effect observed experimentally in these systems.

  9. 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.

  10. Anomalous quasiparticle lifetime in graphite: band structure effects.

    PubMed

    Spataru, C D; Cazalilla, M A; Rubio, A; Benedict, L X; Echenique, P M; Louie, S G

    2001-12-10

    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.

  11. 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.

  12. 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.

  13. Band structure and optical properties of silicon carbide

    NASA Astrophysics Data System (ADS)

    Gavrilenko, Vladimir I.; Frolov, Sergey I.

    1991-03-01

    Silicon carbide is an interesting high-temperature large band gap semiconquctor. it ispromising as a basical material for optoelectronic devices . The optical properties of SiC have been studied by several authors. The absrption coefficient of SiC 6H3 has been measured by Choyke and Patrick up to 4.9 eV and by Makarov to 5.8 eV. Reflection spectra of 6H, 15R, and 3C SiC in the range 3.0 to 13 eV have been stidied in . The optical constants of SiC 6H have been measured by reflectivity in the range 4 to 25 eV, The energies of direct optical transitions between subbands in the conduction band, resulting from confinement in a one dimensional superI,at,,tice, have been measured in8sveral polytypes of SiC by absorption ' and electroreflection (ER) ' The electron energy band structure (85) of SiC of1he1 halerite structure (3C SiC) has been calculated by several 1tu4r2 ' . BS of wurtzite modification of SiC have been calculated 1 in ' ' ' for 2H iC. BS of 4H and 6H SiC has been calculated by the semiempirical pseudopotential method at high-symmetry points of the Brillouin zone (BZ). Tight binding calculations of 2H SiC show valence bands which agree with experiment, but unrealistic conductive bands due to the restriction to nearest neighbours in the Hamiltonian matrix In this work we report the electroreflectance (ER) spectra of hexagonal (4H and 6H) and cubic SiC measured in the range 1.0 to 5.6 eV. Values of direct optical gps1ave been obtained from the ER spectra using a multiple oscillator model ' . BS of SiC has been calculated by the first-principles self-consistent linear muffin-tin orbital (LMTO-ASA) method (2H, 4H, and 6H SiC) and by the semiempirical pseudopotential method (3C SiC). Calculated BS parameters have been compared with experimental data measured in this work and those available in the literature.

  14. Electronic band structure, doping, and defects in the semiconducting Half Heusler compound CoTiSb

    NASA Astrophysics Data System (ADS)

    Kawasaki, Jason; Johansson, Linda; Hjort, Martin; Timm, Rainer; Schultz, Brian; Balasubramanian, Thiagarajan; Mikkelsen, Anders; Palmstrom, Chris

    2013-03-01

    We report transport and electronic band structure measurements on epitaxial films of the Half Heusler compound CoTiSb. CoTiSb belongs to the family of Half Heuslers with 18 valence electrons per formula unit that are predicted to be semiconducting despite being composed of all metallic components. Here the CoTiSb films were grown by molecular beam epitaxy on a lattice matched InAlAs buffer. The films are epitaxial and single crystalline, as measured by reflection high-energy electron diffraction and X-ray diffraction. Scanning tunnelling spectroscopy and temperature-dependent transport measurements reveal that the films are semiconducting, with unintentionally doped carrier concentrations comparable to that of highly doped conventional compound semiconductors. These carrier concentrations can be modulated by doping with Sn. The band structure of the films was measured by angle resolved photoemission spectroscopy at the MAX-Lab Synchrotron facility. The bulk bands are in general agreement with density functional theory calculations, with a valence band maximum at Γ and surface states within the bulk band gap. The effects of defects are explored in order to explain the ARPES results. This work was supported by the ARO, AFOSR, ONR, and NSF.

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

    NASA Astrophysics Data System (ADS)

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

    2013-01-01

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

  16. Surface band bending and band alignment of plasma enhanced atomic layer deposited dielectrics on Ga- and N-face gallium nitride

    NASA Astrophysics Data System (ADS)

    Yang, Jialing; Eller, Brianna S.; Nemanich, Robert J.

    2014-09-01

    The effects of surface pretreatment, dielectric growth, and post deposition annealing on interface electronic structure and polarization charge compensation of Ga- and N-face bulk GaN were investigated. The cleaning process consisted of an ex-situ wet chemical NH4OH treatment and an in-situ elevated temperature NH3 plasma process to remove carbon contamination, reduce oxygen coverage, and potentially passivate N-vacancy related defects. After the cleaning process, carbon contamination decreased below the x-ray photoemission spectroscopy detection limit, and the oxygen coverage stabilized at ˜1 monolayer on both Ga- and N-face GaN. In addition, Ga- and N-face GaN had an upward band bending of 0.8 ± 0.1 eV and 0.6 ± 0.1 eV, respectively, which suggested the net charge of the surface states and polarization bound charge was similar on Ga- and N-face GaN. Furthermore, three dielectrics (HfO2, Al2O3, and SiO2) were prepared by plasma-enhanced atomic layer deposition on Ga- or N-face GaN and annealed in N2 ambient to investigate the effect of the polarization charge on the interface electronic structure and band offsets. The respective valence band offsets of HfO2, Al2O3, and SiO2 with respect to Ga- and N-face GaN were 1.4 ± 0.1, 2.0 ± 0.1, and 3.2 ± 0.1 eV, regardless of dielectric thickness. The corresponding conduction band offsets were 1.0 ± 0.1, 1.3 ± 0.1, and 2.3 ± 0.1 eV, respectively. Experimental band offset results were consistent with theoretical calculations based on the charge neutrality level model. The trend of band offsets for dielectric/GaN interfaces was related to the band gap and/or the electronic part of the dielectric constant. The effect of polarization charge on band offset was apparently screened by the dielectric-GaN interface states.

  17. 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.

  18. 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.

  19. 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.

  20. 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...

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

    SciTech Connect

    Minaye Hashemi, Fatemeh Sadat; Thombare, Shruti; Brongersma, Mark L.; Morral, Anna Fontcuberta i; McIntyre, Paul C.

    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.

  2. 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

  3. Band gaps and localization of surface water waves over large-scale sand waves with random fluctuations.

    PubMed

    Zhang, Yu; Li, Yan; Shao, Hao; Zhong, Yaozhao; Zhang, Sai; Zhao, Zongxi

    2012-06-01

    Band structure and wave localization are investigated for sea surface water waves over large-scale sand wave topography. Sand wave height, sand wave width, water depth, and water width between adjacent sand waves have significant impact on band gaps. Random fluctuations of sand wave height, sand wave width, and water depth induce water wave localization. However, random water width produces a perfect transmission tunnel of water waves at a certain frequency so that localization does not occur no matter how large a disorder level is applied. Together with theoretical results, the field experimental observations in the Taiwan Bank suggest band gap and wave localization as the physical mechanism of sea surface water wave propagating over natural large-scale sand waves.

  4. 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.

  5. Electronic structure and optical properties of noncentrosymmetric LiGaSe2: Experimental measurements and DFT band structure calculations

    NASA Astrophysics Data System (ADS)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Ananchenko, L. N.; Isaenko, L. I.; Yelisseyev, A. P.; Khyzhun, O. Y.

    2017-04-01

    We report on measurements of X-ray photoelectron (XP) spectra for pristine and Ar+ ion-irradiated surfaces of LiGaSe2 single crystal grown by Bridgman-Stockbarger method. Electronic structure of the LiGaSe2 compound is studied from a theoretical and experimental viewpoint. In particular, total and partial densities of states of LiGaSe2 are investigated by density functional theory (DFT) calculations employing the augmented plane wave + local orbitals (APW + lo) method and they are verified by data of X-ray spectroscopy measurements. The DFT calculations indicate that the main contributors to the valence band of LiGaSe2 are the Se 4p states, which contribute mainly at the top and in the upper portion of the valence band, with also essential contributions of these states in the lower portion of the band. Other substantial contributions to the valence band of LiGaSe2 emerge from the Ga 4s and Ga 4p states contributing mainly at the lower ant upper portions of the valence band, respectively. With respect to the conduction band, the calculations indicate that its bottom is composed mainly from contributions of the unoccupied Ga s and Se p states. The present calculations are confirmed experimentally when comparing the XP valence-band spectrum of the LiGaS2 single crystal on a common energy scale with the X-ray emission bands representing the energy distribution of the Ga 4p and Se 4p states. Measurements of the fundamental absorption edges at room temperature reveal that bandgap value, Eg, of LiGaSe2 is equal to 3.47 eV and the Eg value increases up to 3.66 eV when decreasing temperature to 80 K. The main optical characteristics of the LiGaSe2 compound are clarified by the DFT calculations.

  6. Resonant inelastic x-ray scattering as a probe of band structure effects in cuprates

    NASA Astrophysics Data System (ADS)

    Kanász-Nagy, M.; Shi, Y.; Klich, I.; Demler, E. A.

    2016-10-01

    We analyze within quasiparticle theory a recent resonant inelastic x-ray scattering (RIXS) experiment on YBa2Cu3O6+x with the incoming photon energy detuned at several values from the resonance maximum [Minola et al., Phys. Rev. Lett. 114, 217003 (2015), 10.1103/PhysRevLett.114.217003]. Surprisingly, the data show a 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), 10.1038/ncomms6760]. We demonstrate here 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 find good agreement between theory and experiment over a large range of dopings, both in the underdoped and overdoped regimes. Moreover, we 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 number of cuprate materials.

  7. 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.

  8. 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.

  9. 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

  10. Electronic structure tuning via surface modification in semimetallic nanowires

    NASA Astrophysics Data System (ADS)

    Sanchez-Soares, Alfonso; O'Donnell, Conor; Greer, James C.

    2016-12-01

    Electronic structure properties of nanowires (NWs) with diameters of 1.5 and 3 nm based on semimetallic α -Sn are investigated by employing density functional theory and perturbative GW methods. We explore the dependence of electron affinity, band structure, and band-gap values with crystallographic orientation, NW cross-sectional size, and surface passivants of varying electronegativity. We consider four chemical terminations in our study: methyl (CH3), hydrogen (H ), hydroxyl (OH ), and fluorine (F ). Results suggest a high degree of elasticity of Sn-Sn bonds within the Sn NWs' cores with no significant structural variations for nanowires with different surface passivants. Direct band gaps at Brillouin-zone centers are found for most studied structures with quasiparticle corrected band-gap magnitudes ranging from 0.25 to 3.54 eV in 1.5-nm-diameter structures, indicating an exceptional range of properties for semimetal NWs below the semimetal-to-semiconductor transition. Band-gap variations induced by changes in surface passivants indicate the possibility of realizing semimetal-semiconductor interfaces in NWs with constant cross-section and crystallographic orientation, allowing the design of novel dopant-free NW-based electronic devices.

  11. 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.

  12. A High-Power Test of An X-Band Molybdenum Iris Structure

    SciTech Connect

    Grudiev, A.

    2005-02-18

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

  13. 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.

  14. 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.

  15. Vibrational effects on surface energies and band gaps in hexagonal and cubic ice

    NASA Astrophysics Data System (ADS)

    Engel, Edgar A.; Monserrat, Bartomeu; Needs, Richard J.

    2016-07-01

    Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range from -1.2 eV for the cubic ice basal surface up to -1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.

  16. 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.

  17. The structure of band-tail states in amorphous silicon

    NASA Astrophysics Data System (ADS)

    Drabold, D. A.; Dong, Jianjun

    1997-03-01

    We compute and analyze the electronic eigenstates of the realistic and large (4096) atom model of Djordjevic, Thorpe and Wooten(B. R. Djordjevic, M. F. Thorpe and F. Wooten, Phys. Rev. B 52) 5685 (1995) in the vicinity of the gap. We discuss the structure, localization, and conductivity (from the Kubo formula) for states from midgap, well into the interior of the valence band. Tight-binding and ab initio (LDA) approximations for the states are discussed; comparisons are made to total yield photoelectron spectroscopy measurements(S. Aljisji, J. D. Cohen, S. Jin and L. Ley, Phys. Rev. Lett. 64), 2811 (1990). This is an extension of our earlier work on amorphous diamond( J. Dong and D. A. Drabold, Phys. Rev. B 54) 10284 (1996) to a-Si.

  18. Dynamical theory of shear bands in structural glasses.

    PubMed

    Wisitsorasak, Apiwat; Wolynes, Peter G

    2017-02-07

    The heterogeneous elastoplastic deformation of structural glasses is explored using the framework of the random first-order transition theory of the glass transition along with an extended mode-coupling theory that includes activated events. The theory involves coupling the continuum elastic theory of strain transport with mobility generation and transport as described in the theory of glass aging and rejuvenation. Fluctuations that arise from the generation and transport of mobility, fictive temperature, and stress are treated explicitly. We examine the nonlinear flow of a glass under deformation at finite strain rate. The interplay among the fluctuating fields leads to the spatially heterogeneous dislocation of the particles in the glass, i.e., the appearance of shear bands of the type observed in metallic glasses deforming under mechanical stress.

  19. Dynamical theory of shear bands in structural glasses

    NASA Astrophysics Data System (ADS)

    Wisitsorasak, Apiwat; Wolynes, Peter G.

    2017-02-01

    The heterogeneous elastoplastic deformation of structural glasses is explored using the framework of the random first-order transition theory of the glass transition along with an extended mode-coupling theory that includes activated events. The theory involves coupling the continuum elastic theory of strain transport with mobility generation and transport as described in the theory of glass aging and rejuvenation. Fluctuations that arise from the generation and transport of mobility, fictive temperature, and stress are treated explicitly. We examine the nonlinear flow of a glass under deformation at finite strain rate. The interplay among the fluctuating fields leads to the spatially heterogeneous dislocation of the particles in the glass, i.e., the appearance of shear bands of the type observed in metallic glasses deforming under mechanical stress.

  20. Band structure systematics and symmetries in even-even nuclei

    NASA Astrophysics Data System (ADS)

    Bucurescu, D.; Cata-Danil, Gh.; Ivascu, M.; Ur, C. A.

    1993-07-01

    It is shown that the experimental in-band energy ratios for the even-even nuclei obey universal systematics similar to those observed by Mallmann for the quasiground band. Systematic correlations between energy ratios belonging to different bands are also found in certain cases. Finally, correlations between mixed energy ratios are shown to be useful in characterizing the evolution of the nulcear collectivity.

  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.

  2. 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.

  3. X-band rf structure with integrated alignment monitors

    NASA Astrophysics Data System (ADS)

    Dehler, M.; Raguin, J.-Y.; Citterio, A.; Falone, A.; Wuensch, W.; Riddone, G.; Grudiev, A.; Zennaro, R.

    2009-06-01

    We present the electrical design for an X-band traveling wave accelerator structure with integrated alignment monitors to measure the transverse wake, which will be used as part of the PSI-XFEL project and in the CLIC structure testing program. At PSI, it will compensate nonlinearities in the longitudinal phase space at the injector prototype of the PSI-XFEL. At CLIC it will be tested for breakdown limits and rates in the high gradient regime. The prolonged operation of such a structure in the PSI-XFEL injector, albeit not for the CLIC parameter regime, will constitute a good quality test of the manufacturing procedures employed. The operation in the PSI-XFEL injector will be at a relatively modest beam energy of 250 MeV, at which transverse wakes can easily destroy the beam emittance. For this reason, the layout chosen employs a large iris, 5π/6 phase advance geometry, which minimizes transverse wakefield effects while still retaining a good efficiency. As a second important feature, the design includes two wakefield monitors coupling to the transverse higher order modes, which allow steering the beam to the structure axis, potentially facilitating a higher precision than mechanical alignment strategies. Of special interest is the time domain envelope of these monitor signals. Local offsets due to bends or tilts have individual signatures in the frequency spectrum, which in turn are correlated with different delays in the signal envelope. By taking advantage of this combined with the single bunch mode at the PSI-XFEL, the use of a relatively simple detector-type rf front end should be possible, which will not only show beam offsets but also higher order misalignments such as tilts in the structure. The resolution of these monitors is determined by the tolerance of the random cell-to-cell misalignment leading to a spurious signal in the monitors.

  4. Nanoscale probing of electronic band gap and topography of VO2 thin film surfaces by scanning tunneling microscopy

    NASA Astrophysics Data System (ADS)

    Yin, W.; Wolf, S.; Ko, C.; Ramanathan, S.; Reinke, P.

    2011-01-01

    The metal-insulator transition (MIT) in vanadium dioxide in the vicinity of room temperature makes it one of the most interesting materials for novel switching device applications. It is therefore essential to have a fundamental understanding of the VO2 surface when it is incorporated into multilayer structures or nanodevices. This study focuses on the surface modification of VO2 in response to the thermal treatment during phase transition. Vacuum annealing at temperatures in the vicinity of the MIT triggers a partial reduction in the surface, and thus initiates a chemical phase transition. Scanning tunneling microscopy and spectroscopy are used to investigate the electronic properties and surface structure of the VO2 thin film on (0001) sapphire substrates. Band gap maps with a high spatial resolution and single point spectroscopy I-V curves are measured as the sample is cycled through the MIT, and thus provide a direct observation of the surface phase transition at the nanoscale. The VO2 surface exhibits a homogeneous insulating behavior with a typical band gap of ˜0.5 eV at room temperature, and the surface becomes more metallic and spatially inhomogeneous in conductivity during MIT, and wide range of surface oxides can be identified. The surface still remains partially metallic after cooling down from a long period anneal, and such irreversible surface electrical change is attributed to the loss of oxygen. The location of metallic islands after thermal cycling is strongly coupled to the topography of the film, and relaxation processes and continued modification of the spatial distribution of the metallic regions are recognized on a longer timescale. The impact of film morphology, strain, surface chemistry, and structural phase transition on the electronic characteristics of VO2 surfaces are discussed.

  5. 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

  6. 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.

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

    NASA Astrophysics Data System (ADS)

    Mosallaei, Hossein

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

  8. 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.

  9. Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding

    NASA Astrophysics Data System (ADS)

    Medeiros, Paulo V. C.; Stafström, Sven; Björk, Jonas

    2014-01-01

    We use a band unfolding technique to recover an effective primitive cell picture of the band structure of graphene under the influence of different types of perturbations. This involves intrinsic perturbations, such as structural defects, and external ones, comprising nitrogen substitutions and the inclusion of graphene in adsorbed systems. In such cases, the band unfolding provides a reliable and efficient tool for quantitatively analyzing the effect of doping and defects on the electronic structure of graphene. We envision that this approach will become a standard method in the computational analysis of graphene's electronic structure in related systems.

  10. 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.

  11. Pattern reconfigurable antenna using electromagnetic band gap structure

    NASA Astrophysics Data System (ADS)

    Ismail, M. F.; Rahim, M. K. A.; Majid, H. A.; Hamid, M. R.; Yusoff, M. F. M.; Dewan, R.

    2017-01-01

    In this paper, a single rectangular patch antenna incorporated with an array of electromagnetic band gap (EBG) structures is proposed. The proposed antenna features radiation pattern agility by means of connecting the shorting pin vias to the EBG unit cells. The proposed design consists of 32 mm × 35.5 mm rectangular patch antenna and 10.4-mm-square mushroom-like EBG unit cells. The EBGs are placed at both sides of the antenna radiating patch and located on the thicker substrate of thickness, h. The copper tape which represents the PIN diode is used to control the connection between the EBG's via and the ground plane as reconfigurable mechanism of the antenna. The simulated result shows by switching the ON and OFF EBG structures in either sides or both, the directional radiation pattern can be tilted from 0 to +14°. The proposed antenna exhibits 7.2 dB realized gain at 2.42 GHz. The parametric study on EBG and antenna is also discussed.

  12. 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.

  13. 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

  14. Modifying the band gap and optical properties of Germanium nanowires by surface termination

    NASA Astrophysics Data System (ADS)

    Legesse, Merid; Fagas, Giorgos; Nolan, Michael

    2017-02-01

    Semiconductor nanowires, based on silicon (Si) or germanium (Ge) are leading candidates for many ICT applications, including next generation transistors, optoelectronics, gas and biosensing and photovoltaics. Key to these applications is the possibility to tune the band gap by changing the diameter of the nanowire. Ge nanowires of different diameter have been studied with H termination, but, using ideas from chemistry, changing the surface terminating group can be used to modulate the band gap. In this paper we apply the generalised gradient approximation of density functional theory (GGA-DFT) and hybrid DFT to study the effect of diameter and surface termination using -H, -NH2 and -OH groups on the band gap of (001), (110) and (111) oriented germanium nanowires. We show that the surface terminating group allows both the magnitude and the nature of the band gap to be changed. We further show that the absorption edge shifts to longer wavelength with the -NH2 and -OH terminations compared to the -H termination and we trace the origin of this effect to valence band modifications upon modifying the nanowire with -NH2 or -OH. These results show that it is possible to tune the band gap of small diameter Ge nanowires over a range of ca. 1.1 eV by simple surface chemistry.

  15. 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...

  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. An improved d-band model of the catalytic activity of magnetic transition metal surfaces

    PubMed Central

    Bhattacharjee, Satadeep; Waghmare, Umesh V.; Lee, Seung-Cheol

    2016-01-01

    The d-band center model of Hammer and Nørskov is widely used in understanding and predicting catalytic activity on transition metal (TM) surfaces. Here, we demonstrate that this model is inadequate for capturing the complete catalytic activity of the magnetically polarized TM surfaces and propose its generalization. We validate the generalized model through comparison of adsorption energies of the NH3 molecule on the surfaces of 3d TMs (V, Cr, Mn, Fe, Co, Ni, Cu and Zn) determined with spin-polarized density functional theory (DFT)-based methods with the predictions of our model. Compared to the conventional d-band model, where the nature of the metal-adsorbate interaction is entirely determined through the energy and the occupation of the d-band center, we emphasize that for the surfaces with high spin polarization, the metal-adsorbate system can be stabilized through a competition of the spin-dependent metal-adsorbate interactions. PMID:27808100

  18. An improved d-band model of the catalytic activity of magnetic transition metal surfaces

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, Satadeep; Waghmare, Umesh V.; Lee, Seung-Cheol

    2016-11-01

    The d-band center model of Hammer and Nørskov is widely used in understanding and predicting catalytic activity on transition metal (TM) surfaces. Here, we demonstrate that this model is inadequate for capturing the complete catalytic activity of the magnetically polarized TM surfaces and propose its generalization. We validate the generalized model through comparison of adsorption energies of the NH3 molecule on the surfaces of 3d TMs (V, Cr, Mn, Fe, Co, Ni, Cu and Zn) determined with spin-polarized density functional theory (DFT)-based methods with the predictions of our model. Compared to the conventional d-band model, where the nature of the metal-adsorbate interaction is entirely determined through the energy and the occupation of the d-band center, we emphasize that for the surfaces with high spin polarization, the metal-adsorbate system can be stabilized through a competition of the spin-dependent metal-adsorbate interactions.

  19. 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.

  20. Determination of the surface band bending in In x Ga1-x N films by hard x-ray photoemission spectroscopy.

    PubMed

    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 In x Ga1-x N 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 In x Ga1-x N 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.

  1. Projected shell model study of band structure of 90Nb

    NASA Astrophysics Data System (ADS)

    Kumar, Amit; Singh, Dhanvir; Gupta, Anuradha; Singh, Suram; Bharti, Arun

    2016-05-01

    A systematic study of two-quasiparticle bands of the odd-odd 90Nb nucleus is performed using the projected shell model approach. Yrast band with some other bands have been obtained and back-bending in moment of inertia has also been calculated and compared with the available experimental. On comparing the available experimental data, it is found that the treatment with PSM provides a satisfactory explanation of the available data.

  2. 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.

  3. Fermi surface topology and the upper critical field in two-band superconductors: application to MgB2.

    PubMed

    Dahm, T; Schopohl, N

    2003-07-04

    Recent measurements of the anisotropy of the upper critical field B(c2) on MgB2 single crystals have shown a puzzling strong temperature dependence. Here, we present a calculation of the upper critical field based on a detailed modeling of band structure calculations that takes into account both the unusual Fermi surface topology and the two gap nature of the superconducting order parameter. Our results show that the strong temperature dependence of the B(c2) anisotropy can be understood as an interplay of the dominating gap on the sigma band, which possesses a small c-axis component of the Fermi velocity, with the induced superconductivity on the pi-band possessing a large c-axis component of the Fermi velocity. We provide analytic formulas for the anisotropy ratio at T=0 and T=T(c) and quantitatively predict the distortion of the vortex lattice based on our calculations.

  4. Purely one-dimensional bands with a giant spin-orbit splitting: Pb nanoribbons on Si(553) surface

    PubMed Central

    Kopciuszyński, Marek; Krawiec, Mariusz; Zdyb, Ryszard; Jałochowski, Mieczysław

    2017-01-01

    We report on a giant Rashba type splitting of metallic bands observed in one-dimensional structures prepared on a vicinal silicon substrate. A single layer of Pb on Si(553) orders this vicinal surface making perfectly regular distribution of monatomic steps. Although there is only one layer of Pb, the system reveals very strong metallic and purely one-dimensional character, which manifests itself in multiple surface state bands crossing the Fermi level in the direction parallel to the step edges and a small band gap in the perpendicular direction. As shown by spin-polarized photoemission and density functional theory calculations these surface state bands are spin-polarized and completely decoupled from the rest of the system. The experimentally observed spin splitting of 0.6 eV at room temperature is the largest found to now in the silicon-based metallic nanostructures, which makes the considered system a promising candidate for application in spintronic devices. PMID:28383078

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

    PubMed Central

    Chatelut, E; White-Koning, M L; Mathijssen, R HJ; Puisset, F; Baker, S D; Sparreboom, A

    2012-01-01

    Background: Dose banding is a recently suggested dosing method that uses predefined ranges (bands) of body surface area (BSA) to calculate each patient's dose by using a single BSA-value per band. Thus, drugs with sufficient long-term stability can be prepared in advance. The main advantages of dose banding are to reduce patient waiting time and improve pharmacy capacity planning; additional benefits include reduced medication errors, reduced drug wastage, and prospective quality control. This study compares dose banding with individual BSA dosing and fixed dose according to pharmacokinetic criteria. Methods: Three BSA bands were defined: BSA<1.7 m2, 1.7 m2⩽BSA<1.9 m2, BSA⩾1.9 m2 and each patient dose was calculated based on a unique BSA-value per band (1.55, 1.80, and 2.05 m2, respectively). By using individual clearance values of six drugs (cisplatin, docetaxel, paclitaxel, doxorubicin, irinotecan, and topotecan) from 1012 adult cancer patients in total, the AUCs corresponding to three dosing methods (BSA dosing, dose banding, and fixed dose) were compared with a target AUC for each drug. Results: For all six drugs, the per cent variation in individual dose obtained with dose banding compared with BSA dosing ranged between −14% and +22%, and distribution of AUC values was very similar with both dosing methods. In terms of reaching the target AUC, there was no significant difference in precision between dose banding and BSA dosing, except for paclitaxel (32.0% vs 30.7%, respectively; P<0.05). However, precision was significantly better for BSA dosing compared with fixed dose for four out of six drugs. Conclusion: For the studied drugs, implementation of dose banding should be considered as it entails no significant increase in interindividual plasma exposure. PMID:22929884

  6. Quantum size effect in Pb(100) films: Critical role of crystal band structure

    NASA Astrophysics Data System (ADS)

    Wei, C. M.; Chou, M. Y.

    2007-05-01

    We report first-principles calculations of Pb(100) films up to 22 monolayers to study variations in the surface energy and work function as a function of film thickness. An even-odd oscillation is found in these two quantities, while a jelliumlike model for this s-p metal predicts a periodicity of about three monolayers. This unexpected result is explained by considering a coherent superposition of contributions from quantum-well states centered at both the Γ¯ and Mmacr points in the two-dimensional Brillouin zone, demonstrating the importance of crystal band structure in studying the quantum size effect in metal thin films.

  7. Structure of a positive-parity band in 130Pr

    NASA Astrophysics Data System (ADS)

    Ma, K. Y.; Lu, J. B.; Xu, X.; Liu, Y. M.; Zhang, Z.; Li, X. Y.; Yang, D.; Liu, Y. Z.; Wu, X. G.; He, C. Y.; Zheng, Y.; Li, C. B.

    2017-01-01

    High-spin states of 130Pr have been populated using the 99Ru(35Cl, 2n2p)130Pr reaction at a beam energy of 151 MeV. A new positive-parity side band has been identified and possible interpretations on the origin of the side band have been discussed.

  8. Graphene band structure and its 2D Raman mode

    NASA Astrophysics Data System (ADS)

    Narula, Rohit; Reich, Stephanie

    2014-08-01

    High-precision simulations are used to generate the 2D Raman mode of graphene under a range of screening conditions and laser energies EL. We reproduce the decreasing trend of the 2D mode FWHM vs EL and the nearly linearly increasing dispersion ∂ω2D/∂EL seen experimentally in freestanding (unscreened) graphene, and propose relations between these experimentally accessible quantities and the local, two-dimensional gradients |∇ | of the electronic and TO phonon bands. In light of state-of-the-art electronic structure calculations that acutely treat the long-range e-e interactions of isolated graphene and its experimentally observed 2D Raman mode, our calculations determine a 40% greater slope of the TO phonons about K than given by explicit phonon measurements performed in graphite or GW phonon calculations in graphene. We also deduce the variation of the broadening energy γ [EL] for freestanding graphene and find a nominal value γ ˜140 meV, showing a gradually increasing trend for the range of frequencies available experimentally.

  9. Global Kinetic Modeling of Banded Electron Structures in the Plasmasphere

    NASA Technical Reports Server (NTRS)

    Liemohn, M. W.; Khazanov, G. V.

    1997-01-01

    Significant fluxes of 10 eV to 30 keV electrons have been detected in the plasmasphere, appearing as banded structures in energy with broad spatial extents and slowly evolving over several days. It is thought that these populations are decaying plasma sheet electrons injected into the corotating region of near-Earth space. This capture can occur when the convective electric field drops rapidly and the Alfven boundary suddenly outward, trapping the inner edge of the plasma sheet along closed drift paths. Our bounce-averaged kinetic model of superthermal electron transport is able to simulate this capture and the subsequent drift, diffusion, and decay of the plasma cloud. Results of this simulation will be shown and discussed, from the initial injection during the elevated convection to the final loss of the particles. It is thought that not only Coulomb collisions but also wave-particle interactions play a significant role in altering the plasma cloud. Quasilinear diffusion is currently being incorporated into the model and the importance of this mechanism will be examined. Also, the high anisotropy of the trapped population could be unstable and generate plasma waves. These and other processes will be investigated to determine the final fate of the cloud and to quantify where, how, and when the energy of the plasma cloud is deposited. Comparisons with CRRES observations of these events are shown to verify the model and explain the data.

  10. Gold Nanoparticles with Externally Controlled, Reversible Shifts of Local Surface Plasmon Resonance Bands

    PubMed Central

    Yavuz, Mustafa S.; Jensen, Gary C.; Penaloza, David P.; Seery, Thomas A. P.; Pendergraph, Samuel A.; Rusling, James F.; Sotzing, Gregory A.

    2010-01-01

    We have achieved reversible tunability of local surface plasmon resonance in conjugated polymer functionalized gold nanoparticles. This property was facilitated by the preparation of 3,4-ethylenedioxythiophene (EDOT) containing polynorbornene brushes on gold nanoparticles via surface-initiated ring-opening metathesis polymerization. Reversible tuning of the surface plasmon band was achieved by electrochemically switching the EDOT polymer between its reduced and oxidized states. PMID:19839619

  11. Two-band superconductivity of bulk and surface states in Ag thin films on Nb

    NASA Astrophysics Data System (ADS)

    Tomanic, Tihomir; Schackert, Michael; Wulfhekel, Wulf; Sürgers, Christoph; Löhneysen, Hilbert v.

    2016-12-01

    We use epitaxial strain to spatially tune the bottom of the surface-state band ESS of Ag(111) islands on Nb(110). Bulk and surface-state contributions to the Ag(111) local density of states (LDOS) can be separated with scanning tunneling spectroscopy. For thick islands (≈20 nm), the Ag surface states are decoupled from the Ag bulk states and the superconductive gap induced by proximity to Nb is due to bulk states only. However, for thin islands (3-4 nm), surface-state electrons develop superconducting correlations as identified by a complete energy gap in the LDOS when ESS is smaller than but close to the Fermi level. The induced superconductivity in this case is of a two-band nature and appears to occur when the surface-state wave function reaches down to the Ag/Nb interface.

  12. Anomalously large band-bending for HF-treated p-Si surfaces

    NASA Astrophysics Data System (ADS)

    Watanabe, D.; En, A.; Nakamura, S.; Suhara, M.; Okumura, T.

    2003-06-01

    Electronic properties of the HF-treated Si surfaces have been characterized by the Kelvin method combined with surface photovoltage (SPV) measurements. With the use of 340 nm ultraviolet light source, a relatively large SPV of -0.45 V was detected at a photocurrent density of 1 mA/cm 2 for the diluted (e.g. 4.5%) HF-treated p-Si(0 0 1) surface. On the other hand, no SPV was induced for the HF-treated n-Si(0 0 1) wafer. This result indicates that there is anomalously large surface band-bending toward the surface, and Fermi-level position at the surface is pinned in the vicinity of the bottom of the conduction band at the HF-treated p-Si(1 0 0). It is considered that the residual fluorine responsible for an anomalously large band-bending at the p-Si(1 0 0) surface treated with HF. Furthermore, the value of the built-in potential for the HF-treated p-Si(0 0 1) surface was estimated to be about 0.60 eV at the room temperature from the result of the temperature dependence of the effective saturation current.

  13. Surface Structure of Yeast Protoplasts

    PubMed Central

    Streiblová, Eva

    1968-01-01

    The fine structure of the yeast cell wall during protoplast formation was studied by means of phase-contrast microscopy and the freeze-etching technique. The freeze-etching results indicated that at least in some cases the entire wall substance was not removed from the surface of the protoplasts. After a treatment of 30 min to 3 hr with 2% snail enzymes, an innermost thin wall layer as well as remnants of the fibrillar middle layer sometimes could be demonstrated. Images PMID:4867751

  14. 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.

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

    SciTech Connect

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

    2015-09-28

    A combined synthesis, experiment, and theory approach, using elastic and inelastic helium atom scattering along with ab initio density functional perturbation theory, has been used to investigate the vibrational dynamics and band structure of a recently synthesized organic-functionalized semiconductor interface. Specifically, the thermal properties and lattice dynamics of the underlying Ge(111) semiconductor crystal in the presence of a commensurate (1 × 1) methyl adlayer were defined for atomically flat methylated Ge(111) surfaces. The mean-square atomic displacements were evaluated by analysis of the thermal attenuation of the elastic He diffraction intensities using the Debye-Waller model, revealing an interface with hybrid characteristics. The methyl adlayer vibrational modes are coupled with the Ge(111) substrate, resulting in significantly softer in-plane motion relative to rigid motion in the surface normal. Inelastic helium time-of-flight measurements revealed the excitations of the Rayleigh wave across the surface Brillouin zone, and such measurements were in agreement with the dispersion curves that were produced using density functional perturbation theory. The dispersion relations for H-Ge(111) indicated that a deviation in energy and lineshape for the Rayleigh wave was present along the nearest-neighbor direction. The effects of mass loading, as determined by calculations for CD{sub 3}-Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH{sub 3}-Ge(111) and CH{sub 3}-Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers.

  16. 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.

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

    SciTech Connect

    Eppley, K.R.

    1995-07-05

    We have developed algorithms for designing disk-loaded traveling-wave output structures for X-band klystrons to be used in the SLAC NLC. We use either a four- or five-cell structure in a {pi}/2 mode. The disk radii are tapered to produce an approximately constant gradient. The matching calculation is not performed on the tapered structure, but rather on a coupler whose input and output cells are the same as the final cell of the tapered structure, and whose interior cells are the same as the penultimate cell in the tapered structure. 2-D calculations using CONDOR model the waveguide as a radial transmission line of adjustable impedance. 3-D calculations with MAFIA model the actual rectangular waveguide and coupling slot. A good match is obtained by adjusting the impedance of the final cell. In 3-D, this requires varying both the radius of the cell and the width of the aperture. When the output cell with the best match is inserted in the tapered structure, we obtain excellent cold-test agreement between the 2-D and 3-D models. We use hot-test simulations with CONDOR to design a structure with maximum efficiency and minimum surface fields. We have designed circuits at 11.424 Ghz for different perveances. At 440 kV, microperveance 1.2, we calculated 81 MW, 53 percent efficiency, with peak surface field 76 MV/m. A microperveance 0.6 design was done using a PPM stack for focusing. At 470 kV, 193 amps, we calculated 58.7 MW, 64.7 percent efficiency, peak surface field 62.3 MV/m. At 500 kV, 212 amps, we calculated 67.1 MW, 63.3 percent efficiency, peak surface field 66.0 MV/m. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

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

    NASA Astrophysics Data System (ADS)

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

    2017-02-01

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

  19. Surface superconductivity of dirty two-band superconductors: applications to MgB2.

    PubMed

    Gorokhov, Denis A

    2005-02-25

    The minimal magnetic field H(c2) destroying superconductivity in the bulk of a superconductor is smaller than the magnetic field H(c3) needed to destroy surface superconductivity if the surface of a superconductor coincides with one of the crystallographic planes and is parallel to the external magnetic field. While for a dirty single-band superconductor the ratio of H(c3) to H(c2) is a universal temperature-independent constant 1.6946, for dirty two-band superconductors this is not the case. I show that in the latter case the interaction of the two bands leads to a novel scenario with the ratio H(c3)/H(c2) varying with temperature and taking values larger and smaller than 1.6946. The results are applied to MgB(2) and compared with recent experiments (A. Rydh, cond-mat/0307445).

  20. 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.

  1. 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.

  2. Effect of annealing on the surface and band gap alignment of CdZnS thin films

    NASA Astrophysics Data System (ADS)

    Kumar, T. Prem; Saravanakumar, S.; Sankaranarayanan, K.

    2011-01-01

    Effects of the annealing temperature on structural, optical and surface properties of chemically deposited cadmium zinc sulfide (CdZnS) films were investigated. X-ray diffraction (XRD) results showed that the grown CdZnS thin films formed were polycrystalline with hexagonal structure. Atomic force microscopy (AFM) studies showed that the surface roughness of the CdZnS thin films was about 60-400 nm. Grain sizes of the CdZnS thin films varied between 70 and 300 nm as a function of annealing temperature. The root mean square surface roughness of the selected area, particular point, average roughness profile, topographical area of roughness were measured using the reported AFM software. The band gaps of CdZnS thin films were determined from absorbance measurements in the visible range as 300 nm and 1100 nm, respectively, using Tauc theory.

  3. Structure of dipole bands in doubly odd 102Ag

    NASA Astrophysics Data System (ADS)

    Singh, V.; Sihotra, S.; Malik, S. S.; Bhat, G. H.; Palit, R.; Sheikh, J. A.; Kumar, S.; Singh, N.; Singh, K.; Goswamy, J.; Sethi, J.; Saha, S.; Trivedi, T.; Mehta, D.

    2016-10-01

    Excited states in the transitional doubly odd 102Ag nucleus were populated in the 75As(31P,p 3 n ) fusion-evaporation reaction using the 125 MeV incident 31P beam. The subsequent deexcitations were investigated through in-beam γ -ray spectroscopic techniques using the Indian National Gamma Array spectrometer equipped with 21 clover Ge detectors. The level scheme in 102Ag has been established up to excitation energy ˜6.5 MeV and angular momentum 19 ℏ . The earlier reported level scheme is considerably extended and modified to result in a pair of nearly degenerate negative-parity dipole bands. Lifetime measurements for the states of these two dipole bands have been performed by using the Doppler-shift attenuation method. The two nearly degenerate bands exhibit different features with regard to kinetic moment of inertia, and the reduced transition probabilities B (M 1 ) and B (E 2 ) , which do not favor these to be chiral partners. These bands are discussed in the framework of the hybrid version of tilted-axis cranking (tac) model calculations and assigned the π g9 /2⊗ν h11 /2 and π g9 /2⊗ν h11 /2(d5/2/g7 /2) 2 configurations. The tac model calculations are extended to the nearly degenerate bands observed in the heavier doubly odd Ag-108104 isotopes.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  5. 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

  6. Band structures in silicene on monolayer gallium phosphide substrate

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  7. Vibrational structure of defect luminescence bands in GaN from electronic structure calculations

    NASA Astrophysics Data System (ADS)

    Alkauskas, Audrius; van de Walle, Chris G.

    2012-02-01

    Optical methods are among the most powerful to characterize defects in materials. The study of optical signatures based on state-of-the-art electronic structure methods is therefore very important. In this work we investigate the vibrational structure of luminescence bands pertaining to deep defect levels in GaN. Since luminescence lineshapes depend sensitively on defect geometries and vibrational frequencies, these should be described accurately. The latter is achieved through the use of hybrid density functionals. Both quasi-localized and bulk phonons are included in our description. In the case of transitions accompanied by very large lattice relaxations, anharmonic effects become sizeable, and these are also accounted for. For the defects studied a very good agreement with available experimental data is achieved. For instance, in the case of wide luminescence bands the resulting line widths are within 0.05 eV of the experimental values. This work was supported by the Swiss NSF and by NSF.

  8. MxF6bius bands, unstretchable material sheets and developable surfaces

    NASA Astrophysics Data System (ADS)

    Chen, Yi-chao; Fried, Eliot

    2016-08-01

    A Möbius band can be formed by bending a sufficiently long rectangular unstretchable material sheet and joining the two short ends after twisting by 180°. This process can be modelled by an isometric mapping from a rectangular region to a developable surface in three-dimensional Euclidean space. Attempts have been made to determine the equilibrium shape of a Möbius band by minimizing the bending energy in the class of mappings from the rectangular region to the collection of developable surfaces. In this work, we show that, although a surface obtained from an isometric mapping of a prescribed planar region must be developable, a mapping from a prescribed planar region to a developable surface is not necessarily isometric. Based on this, we demonstrate that the notion of a rectifying developable cannot be used to describe a pure bending of a rectangular region into a Möbius band or a generic ribbon, as has been erroneously done in many publications. Specifically, our analysis shows that the mapping from a prescribed planar region to a rectifying developable surface is isometric only if that surface is cylindrical with the midline being the generator. Towards providing solutions to this issue, we discuss several alternative modelling strategies that respect the distinction between the physical constraint of unstretchability and the geometrical notion of developability.

  9. Band structure and many body effects in graphene

    NASA Astrophysics Data System (ADS)

    Bostwick, A.; Ohta, T.; McChesney, J. L.; Seyller, T.; Horn, K.; Rotenberg, E.

    2007-09-01

    We have determined the electronic bandstructure of clean and potassium-doped single layer graphene, and fitted the graphene π bands to a one- and three-near-neighbor tight binding model. We characterized the quasiparticle dynamics using angle resolved photoemission spectroscopy. The dynamics reflect the interaction between holes and collective excitations, namely plasmons, phonons, and electron-hole pairs. Taking the topology of the bands around the Dirac energy for n-doped graphene into account, we compute the contribution to the scattering lifetimes due to electron-plasmon and electron phonon coupling.

  10. Manipulation of Optoelectronic Properties and Band Structure Engineering of Ultrathin Te Nanowires by Chemical Adsorption.

    PubMed

    Roy, Ahin; Amin, Kazi Rafsanjani; Tripathi, Shalini; Biswas, Sangram; Singh, Abhishek K; Bid, Aveek; Ravishankar, N

    2017-01-13

    Band structure engineering is a powerful technique both for the design of new semiconductor materials and for imparting new functionalities to existing ones. In this article, we present a novel and versatile technique to achieve this by surface adsorption on low dimensional systems. As a specific example, we demonstrate, through detailed experiments and ab initio simulations, the controlled modification of band structure in ultrathin Te nanowires due to NO2 adsorption. Measurements of the temperature dependence of resistivity of single ultrathin Te nanowire field-effect transistor (FET) devices exposed to increasing amounts of NO2 reveal a gradual transition from a semiconducting to a metallic state. Gradual quenching of vibrational Raman modes of Te with increasing concentration of NO2 supports the appearance of a metallic state in NO2 adsorbed Te. Ab initio simulations attribute these observations to the appearance of midgap states in NO2 adsorbed Te nanowires. Our results provide fundamental insights into the effects of ambient on the electronic structures of low-dimensional materials and can be exploited for designing novel chemical sensors.

  11. 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)

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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

  17. Human chromosomal bands: nested structure, high-definition map and molecular basis.

    PubMed

    Costantini, Maria; Clay, Oliver; Federico, Concetta; Saccone, Salvatore; Auletta, Fabio; Bernardi, Giorgio

    2007-02-01

    In this paper, we report investigations on the nested structure, the high-definition mapping, and the molecular basis of the classical Giemsa and Reverse bands in human chromosomes. We found the rules according to which the approximately 3,200 isochores of the human genome are assembled in high (850-band) resolution bands, and the latter in low (400-band) resolution bands, so forming the nested mosaic structure of chromosomes. Moreover, we identified the borders of both sets of chromosomal bands at the DNA sequence level on the basis of our recent map of isochores, which represent the highest-resolution, ultimate bands. Indeed, beyond the 100-kb resolution of the isochore map, the guanine and cytosine (GC) profile of DNA becomes turbulent owing to the contribution of specific sequences such as exons, introns, interspersed repeats, CpG islands, etc. The isochore-based level of definition (100 kb) of chromosomal bands is much higher than the cytogenetic definition level (2-3 Mb). The major conclusions of this work concern the high degree of order found in the structure of chromosomal bands, their mapping at a high definition, and the solution of the long-standing problem of the molecular basis of chromosomal bands, as these could be defined on the basis of compositional DNA properties alone.

  18. Homochiral magnetic structures at surfaces

    NASA Astrophysics Data System (ADS)

    Blugel, Stefan

    2008-03-01

    Electrons propagating in the vicinity of inversion asymmetric environments such as surfaces, interfaces, ultrathin films or nanostructures can give rise to an important antisymmetric exchange interaction, known as Dzyaloshinskii-Moriya (DM) interaction. Although this interaction, favoring spatially rotating spin structures, is in principle known for about 50 years, its consequences for the magnetic structure in low-dimensional magnets remained nearly unexplored and has been basically overlooked the past 20 years. Theoretical models considering isotropic exchange, magnetic anisotropy and the DM interaction display a rich phase diagram of complex magnetic phases on different length scales depending on the strength of the different contributions. Today, it is unknown how large is the strength of the DM interaction. Is this just a small perturbation to the collinear uniaxial ferro- or antiferromagnetic state, determined by exchange and magnetic anisotropy or is it strong enough to create new phases which had been overlooked? Surprisingly little first-principles calculations deal with the DM interaction. There might be several reasons for this: The investigation requires the treatment of non-collinear magnetism together with spin-orbit interactions of large magnetic structures in low-symmetry situations. We developed a perturbative strategy implemented into the FLAPW code FLEUR which can cope with this challenge. We show by first- principles calculations based on the vector-spin density formulation of the density- functional theory (DFT) that that there are circumstances whre the DM interaction is indeed sufficiently strong to compete with the interactions that favor collinear spin alignment causing magnetic phases of unique handedness e.g.homochiral magnetic phases such as a left rotation cycloidal spiral in Mn on W(110) [M. Bode et al., Nature 447, 190 (2007)] or favoring magnetic domain-walls with unique turning sense.

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

    SciTech Connect

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

    2015-11-02

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

  20. Surface characterization of semiconductor photocathode structures

    NASA Astrophysics Data System (ADS)

    Liu, Zhi

    The need for a high performance photocathode in the electron beam lithography and microscopy is well established. Previous research demonstrated high brightness (1 x 108 A/cm2-sr at 3 KeV), and an energy spread as low as 50meV at room temperature for a GaAs based negative electron affinity (NEA) cathode in a sealed-off tube. However the GaAs cathodes suffer rapid decay in an open vacuum system. Achieving a clean, stoichiometric and repeatable GaAs(100) surface was the first step in this study. Based on the knowledge obtained from synchrotron radiation photoelectron spectroscopy, we successfully developed and optimized a reliable surface cleaning technique for our GaAs photocathodes. The fully activated photocathode and its decay under different vacuum conditions were investigated. The NEA activation layer is about 1 nm thick and was very vulnerable to oxygen in the system. A revised double dipole structural model was proposed to explain how the Cs/O co-deposition could produce a NEA surface. We found the chemical changes of oxygen species in the activation layer caused the initial quantum yield (QY) decay of the cathode. Further exposure to oxygen oxidized the substrate and permanently reduced the QY to zero. Energy distribution curve measurements of GaAs(100) and GaN(0001) NEA surfaces were performed under laser illumination. We found that the main contribution to the total emitted current of NEA GaAs and GaN surfaces was due to the electrons that were lost an average 140meV and 310 meV respectively in the near surface region prior to emission into vacuum. This energy loss is due not to the scattering through Cs or Cs/O layer; In GaN, it is probably due to a Gunn-like effect involving inter-valley phonon scattering within the band-bending region. We observed a highly directional emission profile from GaAs cathodes (electrons emitted within a semi-angle of 15° relative to the surface normal). In practice, it is expected that the highly directional photoemission

  1. A Tri-Band Frequency Selective Surface (FSS) to Diplex Widely Separated Bands for Millimeter Wave Remote Sensing

    NASA Astrophysics Data System (ADS)

    Poojali, Jayaprakash; Ray, Shaumik; Pesala, Bala; Chitti, Krishnamurthy V.; Arunachalam, Kavitha

    2016-10-01

    A substrate-backed frequency selective surface (FSS) is presented for diplexing the widely separated frequency spectrum centered at 55, 89, and 183 GHz with varying bandwidth for spatial separation in the quasi-optical feed network of the millimeter wave sounder. A unit cell composed of a crossed dipole integrated with a circular ring and loaded inside a square ring is optimized for tri-band frequency response with transmission window at 89 GHz and rejection windows at 55 and 183 GHz. The reflection and transmission losses predicted for the optimized unit cell (728 μm × 728 μm) composed of dissimilar resonant shapes is less than 0.5 dB for transverse electric (TE) and transverse magnetic (TM) polarizations and wide angle of incidence (0°-45°). The FSS is fabricated on a 175-μm-thick quartz substrate using microfabrication techniques. The transmission characteristics measured with continuous wave (CW) terahertz transmit receive system are in good agreement with the numerical simulations.

  2. 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.

  3. 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.

  4. Electronic band structures of graphene nanoribbons with self-passivating edge reconstructions

    NASA Astrophysics Data System (ADS)

    Nguyen, L. Tung; Pham, C. Huy; Nguyen, V. Lien

    2011-07-01

    Using the nearest-neighbor tight-binding approach we study the electronic band structures of graphene nanoribbons with self-passivating edge reconstructions. For zigzag ribbons the edge reconstruction moves both the Fermi energy and the flat band down by several hundred meV, and the flat band is always found to be below the Fermi energy. The states featured by the flat band are shown to be mainly localized at the atoms belonging to several lattice lines closest to the edges. For armchair ribbons the edge reconstruction strongly modifies the band structure in the region close to the Fermi energy, leading to the appearance of a band gap even for ribbons which were predicted to be metallic in the model of standard armchair edges. The gap widths are, however, strongly different in magnitude and behave in different ways regarding the ribbon width.

  5. Structurally Complex Surface of Europa

    NASA Technical Reports Server (NTRS)

    1997-01-01

    This is a composite of two images of Jupiter's icy moon Europa obtained from a range of 2119 miles (3410 kilometers) by the Galileo spacecraft during its fourth orbit around Jupiter and its first close pass of Europa. The mosaic spans 11 miles by 30 miles (17 km by 49 km) and shows features as small as 230 feet (70 meters) across. This mosaic is the first very high resolution image data obtained of Europa, and has a resolution more than 50 times better than the best Voyager coverage and 500 times better than Voyager coverage in this area. The mosaic shows the surface of Europa to be structurally complex. The sun illuminates the scene from the right, revealing complex overlapping ridges and fractures in the upper and lower portions of the mosaic, and rugged, more chaotic terrain in the center. Lateral faulting is revealed where ridges show offsets along their lengths (upper left of the picture). Missing ridge segments indicate obliteration of pre-existing materials and emplacement of new terrain (center of the mosaic). Only a small number of impact craters can be seen, indicating the surface is not geologically ancient.

    The Jet Propulsion Laboratory, Pasadena, CA manages the mission for NASA's Office of Space Science, Washington, DC.

    This image and other images and data received from Galileo are posted on the Galileo mission home page on the World Wide Web at http://galileo.jpl.nasa.gov. Background information and educational context for the images can be found at URL http://www.jpl.nasa.gov/galileo/sepo

  6. Quasiparticle band structures and optical properties of magnesium fluoride.

    PubMed

    Yi, Zhijun; Jia, Ran

    2012-02-29

    The quasiparticle and optical properties of magnesium fluoride (MgF(2)) are computed within the GW approximation based on many-body perturbation theory (MBPT). The many-body effects appearing in self-energy and electron-hole interactions have an important influence on the electronic and optical properties. The DFT-LDA calculation shows a 6.78 eV band gap. Two methods are employed to evaluate the self-energy within the GW approximation in the present work. The generalized plasmon pole model (GPP) provides a band gap of 12.17 eV, which agrees well with the experimental value of 12.4 eV (Thomas et al 1973 Phys. Status Solidi b 56 163). Another band gap value of 11.30 eV is obtained by using a full frequency-dependent self-energy, which is also not far from the experimental value and is much better than the result from the LDA calculation. The calculated optical spectrum within DFT is significantly different from the experiment. Although the calculated optical absorption threshold within the GW method is close to the experiment, the overall shape of the spectrum is still similar to the case of DFT. However, the overall shape of the spectrum via the Bethe-Salpeter equation (BSE) method agrees well with the experiment.

  7. 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.

  8. High-Performance transparent Meta-surface for C-/X-Band Lens Antenna Application

    NASA Astrophysics Data System (ADS)

    Cai, Tong; Wang, Guangming

    2017-01-01

    A novel strategy of designing high-performance transparent meta-surfaces is proposed by using an ABBA system. The ABBA element provides a new freedom to largely enhance the transmission of a transmissive meta-surface and suppress the fluctuations in the transmission amplitude by tuning the coupling among cascaded layers. Dual-band operating property is straightforwardly performed by employing the polarization-control principle. A well-designed transparent meta-surface, operating at f 1=6.5 GHz and f 2=10.5 GHz, consists of 13×17 ABBA elements with parabolic phase distributions along different dimensions. Perfect focusing effects with the same focal length and small reflection are unambiguously observed at both frequencies under excitation of differently-polarized waves, indicating strong phase compensating capacities and high efficiencies of the meta-lens. For practical application, a dual-band lens antenna (LA) is implemented by launching the carefully-designed meta-lens with a self-made Vivaldi antenna. Numerical and experimental results coincide well, indicating that the proposed LA advances in many aspects such as high radiation gain of 18.7 dB at f 1 and 23 dB at f 2, competitive aperture efficiencies better than 30% and also a simple fabrication process based on a standard printed-circuit-board (PCB) technology. The finding opens up a new avenue to design high-performance meta-surfaces operating in multi-band or achieving integrated functionalities.

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

    PubMed

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

    2014-12-15

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

  10. Chaos and band structure in a three-dimensional optical lattice.

    PubMed

    Boretz, Yingyue; Reichl, L E

    2015-04-01

    Classical chaos is known to affect wave propagation because it signifies the presence of broken symmetries. The effect of chaos has been observed experimentally for matter waves, electromagnetic waves, and acoustic waves. When these three types of waves propagate through a spatially periodic medium, the allowed propagation energies form bands. For energies in the band gaps, no wave propagation is possible. We show that optical lattices provide a well-defined system that allows a study of the effect of chaos on band structure. We have determined the band structure of a body-centered-cubic optical lattice for all theoretically possible couplings, and we find that the band structure for those lattices realizable in the laboratory differs significantly from that expected for the bands in an "empty" body-centered-cubic crystal. However, as coupling is increased, the lattice becomes increasingly chaotic and it becomes possible to produce band structure that has behavior qualitatively similar to the "empty" body-centered-cubic band structure, although with fewer degeneracies.

  11. Three-dimensional structure of the Z band in a normal mammalian skeletal muscle

    PubMed Central

    1996-01-01

    The three-dimensional structure of the vertebrate skeletal muscle Z band reflects its function as the muscle component essential for tension transmission between successive sarcomeres. We have investigated this structure as well as that of the nearby I band in a normal, unstimulated mammalian skeletal muscle by tomographic three- dimensional reconstruction from electron micrograph tilt series of sectioned tissue. The three-dimensional Z band structure consists of interdigitating axial filaments from opposite sarcomeres connected every 18 +/- 12 nm (mean +/- SD) to one to four cross-connecting Z- filaments are observed to meet the axial filaments in a fourfold symmetric arrangement. The substantial variation in the spacing between cross-connecting Z-filament to axial filament connection points suggests that the structure of the Z band is not determined solely by the arrangement of alpha-actinin to actin-binding sites along the axial filament. The cross-connecting filaments bind to or form a "relaxed interconnecting body" halfway between the axial filaments. This filamentous body is parallel to the Z band axial filaments and is observed to play an essential role in generating the small square lattice pattern seen in electron micrographs of unstimulated muscle cross sections. This structure is absent in cross section of the Z band from muscles fixed in rigor or in tetanus, suggesting that the Z band lattice must undergo dynamic rearrangement concomitant with crossbridge binding in the A band. PMID:8636232

  12. 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

  13. 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.

  14. 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

  15. Electronic band structure for occupied and unoccupied states of the natural topological superlattice phase Sb2Te

    NASA Astrophysics Data System (ADS)

    Khalil, L.; Papalazarou, E.; Caputo, M.; Nilforoushan, N.; Perfetti, L.; Taleb-Ibrahimi, A.; Kandyba, V.; Barinov, A.; Gibson, Q. D.; Cava, R. J.; Marsi, M.

    2017-02-01

    We present an experimental study describing the effects of surface termination on the electronic structure of the natural topological superlattice phase Sb2Te . Using scanning angle-resolved photoemission microscopy, we consistently find various nonequivalent regions on the same surface after cleaving various Sb2Te single crystals. We were able to identify three distinct terminations characterized by different Sb/Te surface stoichiometric ratios and with clear differences in their band structure. For the dominating Te-rich termination, we also provide a direct observation of the excited electronic states and of their relaxation dynamics by means of time-resolved angle-resolved photoemission spectroscopy. Our results clearly indicate that the surface electronic structure is strongly affected by the bulk properties of the superlattice.

  16. Tuning the band gap in hybrid tin iodide perovskite semiconductors using structural templating.

    PubMed

    Knutson, Jeremy L; Martin, James D; Mitzi, David B

    2005-06-27

    Structural distortions within the extensive family of organic/inorganic hybrid tin iodide perovskite semiconductors are correlated with their experimental exciton energies and calculated band gaps. The extent of the in- and out-of-plane angular distortion of the SnI4(2-) perovskite sheets is largely determined by the relative charge density and steric requirements of the organic cations. Variation of the in-plane Sn-I-Sn bond angle was demonstrated to have the greatest impact on the tuning of the band gap, and the equatorial Sn-I bond distances have a significant secondary influence. Extended Hückel tight-binding band calculations are employed to decipher the crystal orbital origins of the structural effects that fine-tune the band structure. The calculations suggest that it may be possible to tune the band gap by as much as 1 eV using the templating influence of the organic cation.

  17. Band structure of InAsSb strained-layer superlattices

    NASA Astrophysics Data System (ADS)

    Liu, Lifeng; Lee, G. S.; Marshak, A. H.

    1992-02-01

    Band structures of relaxed InSb/InAs1-xSbx strained-layer superlattices (SLSs) were calculated based on Herman-Skillman neutral atom ionization energies, effective dipole theory, and strain shift of band edges. The conduction-band minimum and the valence-band maximum of InAs1-xSbx are lower in energy than those of InSb, respectively. The band structures of InSb/InAs1-xSbx are type II SLSs and an extreme type II superlattice is predicted for x<0.82. This extreme type II superlattice with a proper structure factor can have favorable properties for infrared detectors covering the 8-12 μm wavelength range. The requirement for layer thickness of InSb/InAs1-xSbx SLSs with different absorption mechanisms was discussed.

  18. 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.

  19. Detailed Structure of the Outer Disk Around HD 169142 with Polarized Light in H-band

    NASA Technical Reports Server (NTRS)

    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; McElwain, Michael W.

    2015-01-01

    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 lambda = 7 mm. This can be regarded as another sign of a protoplanet in TZ. The observed radial profile of the PI is reproduced by a minimally flaring disk with an irregular surface density distribution or with an irregular temperature distribution or with the 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 shadowing effect by a puffed up structure in the inner power-law region.

  20. Effect of Surface Defect States on Valence Band and Charge Separation and Transfer Efficiency

    PubMed Central

    Xu, Juan; Teng, Yiran; Teng, Fei

    2016-01-01

    Both energy band and charge separation and transfer are the crucial affecting factor for a photochemical reaction. Herein, the BiOCl nanosheets without and with surface bismuth vacancy (BOC, V-BOC) are prepared by a simple hydrothermal method. It is found that the new surface defect states caused by bismuth vacancy have greatly up-shifted the valence band and efficiently enhanced the separation and transfer rates of photogenerated electron and hole. It is amazing that the photocatalytic activity of V-BOC is 13.6 times higher than that of BOC for the degradation methyl orange (MO). We can develop an efficient photocatalyst by the introduction of defects. PMID:27586149

  1. Antimicrobial dependence of silver nanoparticles on surface plasmon resonance bands against Escherichia coli

    PubMed Central

    Mlalila, Nichrous G; Swai, Hulda Shaidi; Hilonga, Askwar; Kadam, Dattatreya M

    2017-01-01

    This study presents a simple and trouble-free method for determining the antimicrobial properties of silver nanoparticles (AgNPs) based on the surface plasmon resonance (SPR) bands. AgNPs were prepared by chemical reduction method using silver nitrates as a metallic precursor and formaldehyde (HCHO) as a reducing agent and capped by polyethylene glycol. Effects of several processing variables on the size and shape of AgNPs were monitored using an ultraviolet–visible spectrophotometer based on their SPR bands. The formed particles showing various particle shapes and full width at half maximum (FWHM) were tested against Escherichia coli by surface spreading using agar plates containing equal amounts of selected AgNPs samples. The NPs exhibited higher antimicrobial properties; however, monodispersed spherical NPs with narrow FWHM were more effective against E. coli growth. The NPs prepared are promising candidates in diverse applications such as antimicrobial agents in the food and biomedical industries. PMID:28053512

  2. Surface and guided waves on structured surfaces and inhomogeneous media

    NASA Astrophysics Data System (ADS)

    Polanco, Javier

    Surface and guided waves on structured surfaces and inhomogeneous media studies the propagation of waves in systems with spatially varying parameters. In the rainbow case (chapter 1), the dielectric constant changes with coordinates. In the cylinder case: boundary and the metal (chapter 2), it is a curved surface. Finally, in the last case (chapter 3), the dielectric constant changes in z-direction.

  3. Influence of spin correlations on band structure of magnetic semiconductors

    NASA Astrophysics Data System (ADS)

    Sinkkonen, J.

    1981-06-01

    A perturbation treatment of the s-f interaction in ferromagnetic semiconductors is presented. The many-spin correlation functions are expressed in terms of connected correlation functions which are constructed by the meanfield theory. For the self-energy an integral equation is obtained which includes correlation effects. The method of calculation is closely connected with the coherent-potential approximation. As an application the density of states is shown in various cases by allowing the bandwidth to vary from broad- to narrow-band regime. The calculation is limited to the paramagnetic phase. Correlation effects are seen as temperature-dependent changes in the density of states.

  4. 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

  5. Photonic band structure of dielectric membranes periodically textured in two dimensions

    NASA Astrophysics Data System (ADS)

    Pacradouni, V.; Mandeville, W. J.; Cowan, A. R.; Paddon, P.; Young, Jeff F.; Johnson, S. R.

    2000-08-01

    The real and imaginary photonic band structure of modes attached to two-dimensionally textured semiconductor membranes is determined experimentally and theoretically. These porous waveguides exhibit large (1000 cm-1 at 9500 cm-1) second-order optical gaps, highly dispersive lifetimes, and bands with well-defined polarization along directions of high symmetry.

  6. 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...

  7. Edge Majoranas on locally flat surfaces: The cone and the Möbius band

    NASA Astrophysics Data System (ADS)

    Quelle, A.; Smith, C. Morais; Kvorning, T.; Hansson, T. H.

    2016-09-01

    In this paper, we investigate the edge Majorana modes in the simplest possible p x+i py superconductor defined on surfaces with different geometries, the annulus, the cylinder, the Möbius band, and a cone (by cone we mean a cone with the tip cut away so it is topologically equivalent to the annulus and cylinder), and with different configurations of magnetic fluxes threading holes in these surfaces. In particular, we shall address two questions: Given that, in the absence of any flux, the ground state on the annulus does not support Majorana modes while the one on the cylinder does, how is it possible that the conical geometry can interpolate smoothly between the two? Given that in finite geometries edge Majorana modes have to come in pairs, how can a p x+i py state be defined on a Möbius band, which has only one edge? We show that the key to answering these questions is that the ground state depends on the geometry, even though all the surfaces are locally flat. In the case of the truncated cone, there is a nontrivial holonomy, while the nonorientable Möbius band must necessarily support a domain wall.

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

    SciTech Connect

    Shetty, Satish; Shivaprasad, S. M.

    2016-02-07

    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 Si{sup 1+} and Si{sup 3+} 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.

  9. Landau damping and coherent structures in narrow-banded 1+1 deep water gravity waves.

    PubMed

    Onorato, Miguel; Osborne, Alfred; Fedele, Renato; Serio, Marina

    2003-04-01

    We study the modulational instability in surface gravity waves with random phase spectra. Starting from the nonlinear Schrödinger equation and using the Wigner-Moyal transform, we study the stability of the narrow-banded approximation of a typical wind-wave spectrum, i.e., the JONSWAP spectrum. By performing numerical simulations of the nonlinear Schrödinger equation we show that in the unstable regime, the nonlinear stage of the modulational instability is responsible for the formation of coherent structures. Furthermore, a Landau-type damping, due to the incoherence of the waves, whose role is to provide a stabilizing effect against the modulational instability, is both analytically and numerically discussed.

  10. 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.

  11. Triaxial superdeformed and normal-deformed high-spin band structures in {sup 170}Hf

    SciTech Connect

    Neusser-Neffgen, A.; Huebel, H.; Bringel, P.; Domscheit, J.; Mergel, E.; Nenoff, N.; Singh, A.K.; Hagemann, G.B.; Jensen, D.R.; Bhattacharya, S.; Curien, D.; Dorvaux, O.; Hannachi, F.; Lopez-Martens, A.

    2006-03-15

    The high-spin structure of {sup 170}Hf was investigated using the EUROBALL spectrometer. The previously known level scheme was extended in the low-spin region as well as to higher spins, and several new bands were discovered. In particular, two bands were identified which show the characteristics of triaxial superdeformation. One of these bands is strongly populated, and its excitation energy and spins are established. Configuration assignments are made to the normal-deformed bands based on comparisons of their properties with cranked shell model calculations. The results for the very high spin states provide important input for such calculations.

  12. Electronic band structure effects in monolayer, bilayer, and hybrid graphene structures

    NASA Astrophysics Data System (ADS)

    Puls, Conor

    Since its discovery in 2005, graphene has been the focus of intense theoretical and experimental study owing to its unique two-dimensional band structure and related electronic properties. In this thesis, we explore the electronic properties of graphene structures from several perspectives including the magnetoelectrical transport properties of monolayer graphene, gap engineering and measurements in bilayer graphene, and anomalous quantum oscillation in the monolayer-bilayer graphene hybrids. We also explored the device implications of our findings, and the application of some experimental techniques developed for the graphene work to the study of a complex oxide, Ca3Ru2O7, exhibiting properties of strongly correlated electrons. Graphene's high mobility and ballistic transport over device length scales, make it suitable for numerous applications. However, two big challenges remain in the way: maintaining high mobility in fabricated devices, and engineering a band gap to make graphene compatible with logical electronics and various optical devices. We address the first challenge by experimentally evaluating mobilities in scalable monolayer graphene-based field effect transistors (FETs) and dielectric-covered Hall bars. We find that the mobility is limited in these devices, and is roughly inversely proportional to doping. By considering interaction of graphene's Dirac fermions with local charged impurities at the interface between graphene and the top-gate dielectric, we find that Coulomb scattering is responsible for degraded mobility. Even in the cleanest devices, a band gap is still desirable for electronic applications of graphene. We address this challenge by probing the band structure of bilayer graphene, in which a field-tunable energy band gap has been theoretically proposed. We use planar tunneling spectroscopy of exfoliated bilayer graphene flakes demonstrate both measurement and control of the energy band gap. We find that both the Fermi level and

  13. Sea surface Ka-band radar cross-section from field observations in the Black Sea

    NASA Astrophysics Data System (ADS)

    Yurovsky, Yury; Kudryavtsev, Vladimir; Grodsky, Semyon; Chapron, Bertrand

    2016-04-01

    An interest in Ka-band radar backscattering from the ocean surface is growing due to better spatial resolution and more accurate Doppler anomaly estimate. But, available empirical models of Ka-band cross-section are quite scarce and sometime controversial. Here we present multi-year (2009-2015) field measurements of Ka-band co-polarized (VV and HH) sea surface normalized radar cross-section (NRCS) from research platform in the Black sea collected in a wide range of observation and sea state conditions. The data are fitted by polynomial function of incidence angle, azimuth and wind speed with accounting for measured radar antenna pattern. This empirical NRCS is compared with published Ka- and Ku-band data. Our Ka-band NRCS is close to Ku-band, but is 5-7 dB higher than 'pioneer' measurements by Masuko et al. (1986). Following the two-scale Bragg paradigm, the NRCS is split into polarized (Bragg) and non-polarized components and analyzed in terms of polarization ratio (VV/HH) and polarization difference (VV-HH) to estimate wave spectra at the Bragg wave number. Non-polarized component dominates at low incidence angles <30° due to specular reflection from regular surface. At larger incidence angles, the relative non-polarized contribution decreases, but grows again at HH-polarization approaching 0.7-0.8 at 65° for 10 m/s wind speed, suggesting that backscattering from breaking waves dominates HH NRCS at low grazing angles. At high incidence angles (>60°) NRCS azimuth dependency is unimodal (upwind peak) for HH and bimodal (with up- and downwind peaks) for VV polarization. This again can be attributed to different backscattering mechanisms for VV and HH polarizations. With decreasing of incidence angle, up- to downwind ratio tends to 1, and under light wind conditions (4-6 m/s) can be less than 1. The same situation is observed for polarization difference, which reflects Bragg backscattering properties only. This effect can be explained by enhanced roughness on

  14. Probing the Spin-Polarized Electronic Band Structure in Monolayer Transition Metal Dichalcogenides by Optical Spectroscopy.

    PubMed

    Wang, Zefang; Zhao, Liang; Mak, Kin Fai; Shan, Jie

    2017-02-08

    We study the electronic band structure in the K/K' valleys of the Brillouin zone of monolayer WSe2 and MoSe2 by optical reflection and photoluminescence spectroscopy on dual-gated field-effect devices. Our experiment reveals the distinct spin polarization in the conduction bands of these compounds by a systematic study of the doping dependence of the A and B excitonic resonances. Electrons in the highest-energy valence band and the lowest-energy conduction band have antiparallel spins in monolayer WSe2 and parallel spins in monolayer MoSe2. The spin splitting is determined to be hundreds of meV for the valence bands and tens of meV for the conduction bands, which are in good agreement with first-principles calculations. These values also suggest that both n- and p-type WSe2 and MoSe2 can be relevant for spin- and valley-based applications.

  15. Probing the Spin-Polarized Electronic Band Structure in Monolayer Transition Metal Dichalcogenides by Optical Spectroscopy

    NASA Astrophysics Data System (ADS)

    Wang, Zefang; Zhao, Liang; Mak, Kin Fai; Shan, Jie

    2017-02-01

    We study the electronic band structure in the K/K' valleys of the Brillouin zone of monolayer WSe2 and MoSe2 by optical reflection and photoluminescence spectroscopy on dual-gated field-effect devices. Our experiment reveals the distinct spin polarization in the conduction bands of these compounds by a systematic study of the doping dependence of the A and B excitonic resonances. Electrons in the highest-energy valence band and the lowest-energy conduction band have antiparallel spins in monolayer WSe2, and parallel spins in monolayer MoSe2. The spin splitting is determined to be hundreds of meV for the valence bands and tens of meV for the conduction bands, which are in good agreement with first principles calculations. These values also suggest that both n- and p-type WSe2 and MoSe2 can be relevant for spin- and valley-based applications

  16. Quantitative study of band structure in BaTiO3 particles with vacant ionic sites

    NASA Astrophysics Data System (ADS)

    Oshime, Norihiro; Kano, Jun; Ikeda, Naoshi; Teranishi, Takashi; Fujii, Tatsuo; Ueda, Takeji; Ohkubo, Tomoko

    2016-10-01

    Levels of the conduction band minimum and the valence band maximum in ion-deficient BaTiO3 particles were investigated with optical band gap and ionization energy measurements. Though it is known that the quantification of the band structure in an insulator is difficult, due to the poor electrical conductivity of BaTiO3, systematic variation in the band energy levels was found that correlated with the introduction of vacancies. Photoelectron yield spectroscopy provided direct observation of the occupancy level of electrons, which is altered by the presence of oxygen and barium vacancies. In addition, the conduction band deviation from the vacuum level was determined by optical reflectance spectroscopy. Our results show that: (1) Introduction of oxygen vacancies forms a donor level below the conduction band. (2) The conduction band is shifted to a lower level by a larger number of oxygen vacancies, while the valence band also shifts to a lower level, due to the reduction in the density of O 2p orbitals. (3) Introduction of barium vacancies widens the band gap. Since barium vacancies can induce a small number of oxygen vacancies with accompanying charge compensation, this behavior suppresses any large formation of donor levels in the gap states, indicating that cation vacancies can control the number of both donor and acceptor levels.

  17. Remote laser generation of narrow-band surface waves through optical fibers.

    PubMed

    Di Scalea, F L; Berndt, T P; Spicer, J B; Djordjevic, B B

    1999-01-01

    This paper demonstrates the use of a fiberoptic bundle for flexible, compact, remote, and noncontact laser generation of surface ultrasonic waves in materials. The bundle is able to deliver Nd:YAG pulsed light with a 60% delivery efficiency up to an average energy of 55 mJ/pulse for a pulse duration on the order of 10 ns and a pulse repetition rate of 20 Hz without signs of fiber damage. Details of the bundle construction and surface preparation are given, and pulsed light delivery tests performed with single tapered fibers are discussed. The high-power light delivery capabilities of the bundle are demonstrated for the generation of narrow-band surface waves in a Carbon/PEEK composite laminate by a spatial modulation technique that employs a periodic transmission mask. Single laser pulse ultrasonic tonebursts are clearly detectable using a small aperture piezoelectric transducer while ensuring thermoelastic generation conditions. The theory of narrow-band generation of surface acoustic waves is improved by accounting for the strength nonuniformity of the illumination sources. In addition, the effect of the number of illumination sources on the bandwidth of the generated surface wave is assessed experimentally, and excellent agreement is shown with the theoretical results predicted by the improved model.

  18. 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.

  19. Substrate-induced band structure and electronic properties in graphene/Al2O3(0001) interface

    NASA Astrophysics Data System (ADS)

    Ilyasov, V. V.; Ershov, I. V.; Ilyasov, A. V.; Popova, I. G.; Nguyen, Chuong V.

    2015-02-01

    Band structure investigation results of two-dimensional (2D) graphene (SLG) on Al2O3(0001) using the density functional theory (DFT) method as a possible element base for spintronics are presented. Regularities of a band structure change in the order three-dimensional (3D) Al2O3 → 2D Al2O3(0001) → 2D SLG/Al2O3(0001) as well as features of a chemical bond between SLG and sapphire on the basis of DFT calculations have been studied. Analysis of the band structure and interatomic spacing in the interface for both models allows speaking about physical SLG adsorption on the (0001)-surface sapphire constrained by aluminum atoms. Energy distribution features of surface states in 2D SLG/Al2O3(0001) interface are discussed. Analysis of effective atomic charge in the interface revealed surface charge fluctuations on the substrate in the presence of SLG, which can be explained by a decrease of the energy of occupied subsurface Al2O3 states relatively to the Fermi level.

  20. 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.

  1. Ammonia volatilization from surface-banded and broadcast application of liquid dairy manure on grass forage.

    PubMed

    Pfluke, Paul D; Jokela, William E; Bosworth, Sidney C

    2011-01-01

    Manure can provide valuable nutrients, especially N, for grass forage, but high NH, volatilization losses from standard surface-broadcast application limits N availability and raises environmental concerns. Eight field trials were conducted to evaluate the emission of NH, from liquid dairy manure, either surface broadcast or applied in narrow surface bands with a trailing-foot implement. Manure was applied using both techniques at rates of approximately 25 and 50 m3 ha(-1) on either orchardgrass (Dactylis glomerata L.) on a well-drained silt loam or reed canarygrass (Phalaris arundinacea L.) on a somewhat poorly drained clay soil. Ammonia emission was measured with a dynamic chamber/equilibrium concentration technique. High NH3 emission rates in broadcast treatments, especially at the high rate (2 to 13 kg ha(-1) h(-1)), occurred during the first few hours after spreading, followed by a rapid reduction to low levels (<0.5 kg ha(-1) h(-1) in most cases) by 24 h after spreading and in subsequent days. Band treatments often followed the same pattern but with initial rates substantially lower and with a less dramatic decrease over time. Total estimated NH3 losses from broadcast application, as a percent of total ammoniacal N (TAN) applied, averaged 39% (range of 20 to 59%) from the high manure rate and 25% (range of 9 to 52%) from the low rate. Band spreading reduced total NH3 losses by an average of 52 and 29% for the high and low manure rates, respectively. Results show that the trailing-foot band application method can reduce NH3 losses and conserve N for perennial forage production.

  2. 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.

  3. Experimental determination of excitonic band structures of single-walled carbon nanotubes using circular dichroism spectra

    NASA Astrophysics Data System (ADS)

    Wei, Xiaojun; Tanaka, Takeshi; Yomogida, Yohei; Sato, Naomichi; Saito, Riichiro; Kataura, Hiromichi

    2016-10-01

    Experimental band structure analyses of single-walled carbon nanotubes have not yet been reported, to the best of our knowledge, except for a limited number of reports using scanning tunnelling spectroscopy. Here we demonstrate the experimental determination of the excitonic band structures of single-chirality single-walled carbon nanotubes using their circular dichroism spectra. In this analysis, we use gel column chromatography combining overloading selective adsorption with stepwise elution to separate 12 different single-chirality enantiomers. Our samples show higher circular dichroism intensities than the highest values reported in previous works, indicating their high enantiomeric purity. Excitonic band structure analysis is performed by assigning all observed Eii and Eij optical transitions in the circular dichroism spectra. The results reproduce the asymmetric structures of the valence and conduction bands predicted by density functional theory. Finally, we demonstrate that an extended empirical formula can estimate Eij optical transition energies for any (n,m) species.

  4. Experimental determination of excitonic band structures of single-walled carbon nanotubes using circular dichroism spectra

    PubMed Central

    Wei, Xiaojun; Tanaka, Takeshi; Yomogida, Yohei; Sato, Naomichi; Saito, Riichiro; Kataura, Hiromichi

    2016-01-01

    Experimental band structure analyses of single-walled carbon nanotubes have not yet been reported, to the best of our knowledge, except for a limited number of reports using scanning tunnelling spectroscopy. Here we demonstrate the experimental determination of the excitonic band structures of single-chirality single-walled carbon nanotubes using their circular dichroism spectra. In this analysis, we use gel column chromatography combining overloading selective adsorption with stepwise elution to separate 12 different single-chirality enantiomers. Our samples show higher circular dichroism intensities than the highest values reported in previous works, indicating their high enantiomeric purity. Excitonic band structure analysis is performed by assigning all observed Eii and Eij optical transitions in the circular dichroism spectra. The results reproduce the asymmetric structures of the valence and conduction bands predicted by density functional theory. Finally, we demonstrate that an extended empirical formula can estimate Eij optical transition energies for any (n,m) species. PMID:27703139

  5. First-principle study of energy band structure of armchair graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Ma, Fei; Guo, Zhankui; Xu, Kewei; Chu, Paul K.

    2012-07-01

    First-principle calculation is carried out to study the energy band structure of armchair graphene nanoribbons (AGNRs). Hydrogen passivation is found to be crucial to convert the indirect band gaps into direct ones as a result of enhanced interactions between electrons and nuclei at the edge boundaries, as evidenced from the shortened bond length as well as the increased differential charge density. Ribbon width usually leads to the oscillatory variation of band gaps due to quantum confinement no matter hydrogen passivated or not. Mechanical strain may change the crystal symmetry, reduce the overlapping integral of C-C atoms, and hence modify the band gap further, which depends on the specific ribbon width sensitively. In practical applications, those effects will be hybridized to determine the energy band structure and subsequently the electronic properties of graphene. The results can provide insights into the design of carbon-based devices.

  6. Magnon band structure and magnon density in one-dimensional magnonic crystals

    NASA Astrophysics Data System (ADS)

    Qiu, Rong-ke; Huang, Te; Zhang, Zhi-dong

    2014-11-01

    By using Callen's Green's function method and the Tyablikov and Anderson-Callen decoupling approximations, we systematically study the magnon band structure and magnon density perpendicular to the superlattice plane of one-dimensional magnonic crystals, with a superlattice consisting of two magnetic layers with ferromagnetic (FM) or antiferromagnetic (AFM) interlayer exchange coupling. The effects of temperature, interlayer coupling, anisotropy and external magnetic field on the magnon-energy band and magnon density in the Kx-direction are investigated in three situations: a) the magnon band of magnetic superlattices with FM interlayer coupling, b) separate and c) overlapping magnon bands of magnetic superlattices with AFM interlayer coupling. In the present work, a quantum approach is developed to study the magnon band structure and magnon density of magnonic crystals and the results are beneficial for the design of magnonic-crystal waveguides or gigahertz-range spin-wave filters.

  7. Double stop-band structure near half-integer tunes in high-intensity rings

    NASA Astrophysics Data System (ADS)

    Moriya, K.; Ota, M.; Fukushima, K.; Yamaguchi, M.; Ito, K.; Okamoto, H.

    2016-11-01

    This paper addresses a detailed experimental study of collective instability bands generated near every half-integer tune per lattice period by coherent dipole and quadrupole resonances. Both instabilities appear side by side or overlap each other but are mostly separable because the dipole resonance often creates a narrower stop band accompanied by more severe particle losses. The separation of these low-order resonance bands becomes greater as the beam intensity increases. In principle, the double stop-band structure can be formed even without machine imperfections when the beam's initial phase-space profile is deviated from the ideal stationary distribution. The tabletop ion-trap system called "S-POD" is employed to experimentally demonstrate the parameter dependence of the double stop-band structure. Numerical simulations are also performed for comparison with experimental observations.

  8. Electronic energy band structure of the double perovskite Ba2MnWO6.

    PubMed

    Fujioka, Yukari; Frantti, Johannes; Nieminen, Risto M

    2008-06-05

    The electronic and magnetic structures of the double perovskite oxide Ba 2MnWO6 (BMW) were determined by employing the density functional theory within the generalized gradient approximation (GGA) + U approach. BMW is considered a prototype double perovskite due to its high degree of B-site ordering and is a good case study for making a comparison between computations and experiments. By adjusting the U-parameter, the electronic energy band structure and magnetic properties, which were consistent with the experimental results, were obtained. These computations revealed that the valence bands are mainly formed from Mn 3d and O 2p states, while the conduction bands are derived from W 5d and O 2p states. The localized bands composed from Mn 3d states are located in the bandgap. The results imply that the formation of polarons in the conduction band initiate the resonance Raman modes observed as a series of equidistant peaks.

  9. 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.

  10. Valence Band Structure of Highly Efficient p-type Thermoelectric PbTe-PbS Alloys

    SciTech Connect

    Jaworski, C. M.; Nielsen, Mechele; Wang, Hsin; Girard, Steven N.; Cai, Wei; Porter, Wallace D; Kanatzidis, Mercouri G.; Heremans, J. P.

    2013-01-01

    New experimental evidence is given relevant to the temperature-dependence of valence band structure of PbTe and PbTe1-xSx alloys (0.04 x 0.12), and its effect on the thermoelectric figure of merit zT. The x = 0.08 sample has zT ~ 1.55 at 773K. The magnetic field dependence of the high-temperature Hall resistivity of heavily p-type (> 1019 cm-3) Na-doped PbTe1-xSx reveals the presence of high-mobility electrons. This put in question prior analyses of the Hall coefficient and the conclusion that PbTe would be an indirect gap semiconductor at temperatures where its zT is optimal. Possible origins for these electrons are discussed: they can be induced by photoconductivity, or by the topology of the Fermi surface when the L and -bands merge. Negative values for the low-temperature thermopower are also observed. Our data show that PbTe continues to be a direct gap semiconductor at temperatures where the zT and S2 of p-type PbTe are optimal e.g. 700-900K. The previously suggested temperature induced rapid rise in energy of the heavy hole LVB relative to the light hole UVB is not supported by the experimental data.

  11. Impact of surface roughness on L-band emissivity of the sea ice

    NASA Astrophysics Data System (ADS)

    Miernecki, M.; Kaleschke, L.; Hendricks, S.; Søbjærg, S. S.

    2015-12-01

    In March 2014 a joint experiment IRO2/SMOSice was carried out in the Barents Sea. R/V Lance equipped with meteorological instruments, electromagnetic sea ice thickness probe and engine monitoring instruments, was performing a series of tests in different ice conditions in order to validate the ice route optimization (IRO) system, advising on his route through pack ice. In parallel cal/val activities for sea ice thickness product obtained from SMOS (Soil Moisture and Ocean Salinity mission) L-band radiometer were carried out. Apart from helicopter towing the EMbird thickness probe, Polar 5 aircraft was serving the area during the experiment with L-band radiometer EMIRAD2 and Airborne Laser Scanner (ALS) as primary instruments. Sea ice Thickness algorithm using SMOS brightness temperature developed at University of Hamburg, provides daily maps of thin sea ice (up to 0.5-1 m) in polar regions with resolution of 35-50 km. So far the retrieval method was not taking into account surface roughness, assuming that sea ice is a specular surface. Roughness is a stochastic process that can be characterized by standard deviation of surface height σ and by shape of the autocorrelation function R to estimate it's vertical and horizontal scales respectively. Interactions of electromagnetic radiation with the surface of the medium are dependent on R and σ and they scales with respect to the incident wavelength. During SMOSice the radiometer was observing sea ice surface at two incidence angles 0 and 40 degrees and simultaneously the surface elevation was scanned with ALS with ground resolution of ~ 0.25 m. This configuration allowed us to calculate σ and R from power spectral densities of surface elevation profiles and quantify the effect of surface roughness on the emissivity of the sea ice. First results indicate that Gaussian autocorrelation function is suitable for deformed ice, for other ice types exponential function is the best fit.

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

    SciTech Connect

    Das, Jayanta; Menon, Krishnakumar S. R.

    2015-06-24

    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.

  13. Observation of interface band structure by ballistic-electron-emission microscopy

    NASA Technical Reports Server (NTRS)

    Bell, L. D.; Kaiser, W. J.

    1988-01-01

    The paper reports an advanced ballistic electron spectroscopy technique that was used to directly measure semiconductor band structure properties at a subsurface interface. Two interface systems having contrasting band structures were investigated by this method: Au-Si and Au-GaAs. It is concluded that the proposed method, based on scanning tunneling microscopy, enables the spatially resolved carrier-transport spectroscopy of interfaces.

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

    NASA Astrophysics Data System (ADS)

    Szekeres, Zs; Bogár, 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 ζ, 6-31G and 6-31G* basis sets.

  15. Theoretical study of band structure of odd-mass 115,117I isotopes

    NASA Astrophysics Data System (ADS)

    Singh, Dhanvir; Kumar, Amit; Sharma, Chetan; Singh, Suram; Bharti, Arun

    2016-05-01

    By using the microscopic approach of Projected Shell Model (PSM), negative-parity band structures of odd mass neutron-rich 115,117I nuclei have been studied with the deformed single-particle states generated by the standard Nilsson potential. For these isotopes, the band structures have been analyzed in terms of quasi-particles configurations. The phenomenon of back bending in moment of inertia is also studied in the present work.

  16. 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

  17. 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.

  18. Polymorphism, band-structure, band-lineup, and alloy energetics of the group II oxides and sulfides MgO, ZnO, CdO, MgS, ZnS, CdS

    NASA Astrophysics Data System (ADS)

    Lany, Stephan

    2014-03-01

    The group II chalcogenides are an important class of functional semiconductor materials exhibiting a remarkable diversity in terms of structure and properties. In order to aid the materials design, a consistent set of electronic structure calculations is presented, including data on the polymorphic energy ordering, the band-structures, the band-lineups relative to the vacuum level, surface energies, as well as on the alloy energetics. To this end, current state-of-the-art electronic structure tools are employed, which, besides standard density functional theory (DFT), include totalenergy calculation in the random phase approximation and GW quasiparticle energy calculations. The ionization potentials and electron affinities are obtained by combining the results of bulk GW and surface DFT calculations. Considering both octahedral and tetrahedral coordination symmetries, exemplified by the rock-salt and zinc-blende lattices, respectively, this data reveals both the chemical and structural trends within this materials family.

  19. 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

  20. Tuning the Band Bending and Controlling the Surface Reactivity at Polar and Nonpolar Surfaces of ZnO through Phosphonic Acid Binding.

    PubMed

    McNeill, Alexandra R; Hyndman, Adam R; Reeves, Roger J; Downard, Alison J; Allen, Martin W

    2016-11-16

    ZnO is a prime candidate for future use in transparent electronics; however, development of practical materials requires attention to factors including control of its unusual surface band bending and surface reactivity. In this work, we have modified the O-polar (0001̅), Zn-polar (0001), and m-plane (101̅0) surfaces of ZnO with phosphonic acid (PA) derivatives and measured the effect on the surface band bending and surface sensitivity to atmospheric oxygen. Core level and valence band synchrotron X-ray photoemission spectroscopy was used to measure the surface band bending introduced by PA modifiers with substituents of opposite polarity dipole moment: octadecylphosphonic acid (ODPA) and 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylphosphonic acid (F13OPA). Both PAs act as surface electron donors, increasing the downward band bending and the strength of the two-dimensional surface electron accumulation layer on all of the ZnO surfaces investigated. On the O-polar (0001̅) and m-plane (101̅0) surfaces, the ODPA modifier produced the largest increase in downward band bending relative to the hydroxyl-terminated unmodified surface of 0.55 and 0.35 eV, respectively. On the Zn-polar (0001) face, the F13OPA modifier gave the largest increase (by 0.50 eV) producing a total downward band bending of 1.00 eV, representing ∼30% of the ZnO band gap. Ultraviolet (UV) photoinduced surface wettability and photoconductivity measurements demonstrated that the PA modifiers are effective at decreasing the sensitivity of the surface toward atmospheric oxygen. Modification with PA derivatives produced a large increase in the persistence of UV-induced photoconductivity and a large reduction in UV-induced changes in surface wettability.

  1. RF Breakdown in High Vacuum Multimegawatt X-Band Structures

    SciTech Connect

    Dolgashev, V

    2004-06-15

    Increasing the power handling capabilities of rf components is an important issue for the design of rf accelerators and rf sources. RF breakdown is a phenomena that limit the high power performance. A major concern is the damage that can occur in rf components from breakdown. To better understand this damage, we have studied rf breakdown in a rectangular waveguide experimentally and theoretically. The breakdown process in a waveguide is both easier to measure and simulate than breakdown in a complex geometry such as an accelerating structure. We used a particle tracking code and a Particle-In-Cell code to model the breakdown behavior. Models developed for the waveguide were applied to the breakdown in accelerating structures. RF breakdown in traveling wave and standing wave accelerating structures was simulated. We compare the experimental data with results of the simulations for the accelerating structures.

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

    NASA Astrophysics Data System (ADS)

    Wang, Kang

    2016-11-01

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

  3. Electronic band structure effects in the stopping of protons in copper [Electronic band structure non-linear effects in the stopping of protons in copper

    DOE PAGES

    Quashie, Edwin E.; Saha, Bidhan C.; Correa, Alfredo A.

    2016-10-05

    Here, we present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities v = 0.02–10a.u. where we take into account nonlinear effects. Time-dependent density functional theory coupled with molecular dynamics is used to study electronic excitations produced by energetic protons. A plane-wave pseudopotential scheme is employed to solve the time-dependent Kohn-Sham equations for a moving ion in a periodic crystal. The electronic excitations and the band structure determine the stopping power of the material and alter the interatomic forces for both channeling and off-channeling trajectories. Our off-channeling results aremore » in quantitative agreement with experiments, and at low velocity they unveil a crossover region of superlinear velocity dependence (with a power of ~1.5) in the velocity range v = 0.07–0.3a.u., which we associate to the copper crystalline electronic band structure. The results are rationalized by simple band models connecting two separate regimes. We find that the limit of electronic stopping v → 0 is not as simple as phenomenological models suggest and it is plagued by band-structure effects.« less

  4. Electronic band structure effects in the stopping of protons in copper [Electronic band structure non-linear effects in the stopping of protons in copper

    SciTech Connect

    Quashie, Edwin E.; Saha, Bidhan C.; Correa, Alfredo A.

    2016-10-05

    Here, we present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities v = 0.02–10a.u. where we take into account nonlinear effects. Time-dependent density functional theory coupled with molecular dynamics is used to study electronic excitations produced by energetic protons. A plane-wave pseudopotential scheme is employed to solve the time-dependent Kohn-Sham equations for a moving ion in a periodic crystal. The electronic excitations and the band structure determine the stopping power of the material and alter the interatomic forces for both channeling and off-channeling trajectories. Our off-channeling results are in quantitative agreement with experiments, and at low velocity they unveil a crossover region of superlinear velocity dependence (with a power of ~1.5) in the velocity range v = 0.07–0.3a.u., which we associate to the copper crystalline electronic band structure. The results are rationalized by simple band models connecting two separate regimes. We find that the limit of electronic stopping v → 0 is not as simple as phenomenological models suggest and it is plagued by band-structure effects.

  5. High-spin band structure of 192Tl

    NASA Astrophysics Data System (ADS)

    Kreiner, A. J.; Filevich, A.; García Bermúdez, G.; Mariscotti, M. A. J.; Baktash, C.; der Mateosian, E.; Thieberger, P.

    1980-03-01

    High-spin states in 192Tl, excited through the 181Ta(18O,7n) and 181Ta(16O,5n) reactions, were studied using in-beam γ-ray spectroscopic techniques. Excitation functions, activity spectra, γ-ray angular distributions, and multidimensional coincidences were measured. The strongly Coríolis-distorted π~h92×ν~i132 two-quasiparticle band already known in the heavier 194,196,198Tl isotopes has also been found in this case based on an Iπ=8- isomeric state at 250.6 keV above the known long-lived 7+ level. Trends already noted in the other Tl isotopes and also predicted by two-quasiparticle plus-rotor model calculations are confirmed thus reinforcing such a theoretical description. NUCLEAR REACTIONS 181Ta(18O,xnγ), E=105-125 MeV; 181Ta(16O,xnγ), E=95-105 MeV; measured Eγ, Iγ, σ(E, Eγ, θγ), γ-γ coin.; 192Tl levels deduced, J, π, T12. Natural target. Ge(Li) detectors.

  6. Control over band structure and tunneling in bilayer graphene induced by velocity engineering.

    PubMed

    Cheraghchi, Hosein; Adinehvand, Fatemeh

    2014-01-08

    The band structure and transport properties of massive Dirac fermions in bilayer graphene with velocity modulation in space are investigated in the presence of a previously created band gap. It is pointed out that velocity engineering may be considered as a factor to control the band gap of symmetry-broken bilayer graphene. The band gap is direct and independent of velocity value if the velocity modulated in two layers is set up equally. Otherwise, in the case of interlayer asymmetric velocity, not only is the band gap indirect, but also the electron-hole symmetry fails. This band gap is controllable by the ratio of the velocity modulated in the upper layer to the velocity modulated in the lower layer. In more detail, the shift of momentum from the conduction band edge to the valence band edge can be engineered by the gate bias and velocity ratio. A transfer matrix method is also elaborated to calculate the four-band coherent conductance through a velocity barrier possibly subjected to a gate bias. Electronic transport depends on the ratio of velocity modulated inside the barrier to that for surrounding regions. As a result, a quantum version of total internal reflection is observed for thick enough velocity barriers. Moreover, a transport gap originating from the applied gate bias is engineered by modulating the velocities of the carriers in the upper and lower layers.

  7. 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.

  8. 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.

  9. Structure and properties of solid surfaces

    NASA Technical Reports Server (NTRS)

    Gatos, H. C.

    1974-01-01

    Difficulties in experimental studies of crystalline surfaces are related to the fact that surface atoms have an intrinsic tendency to react with their environment. A second problem is connected with the effective thickness of surfaces, which ranges from one to several atom layers. The phenomenology of surface interactions with gases are considered, taking into account physical adsorption, chemisorption, and the oxidation of surfaces. Studies of the surface structure are discussed, giving attention to field emission microscopy, field-ion microscopy, electron diffraction techniques, Auger spectroscopy, scanning electron microscopy, electron probe microanalysis, ion microprobe methods, and low-energy backscattering spectroscopy. Investigations of semiconductor surfaces are also described.

  10. Surface vibrational structure at alkane liquid/vapor interfaces.

    PubMed

    Esenturk, Okan; Walker, Robert A

    2006-11-07

    Broadband vibrational sum frequency spectroscopy (VSFS) has been used to examine the surface structure of alkane liquid/vapor interfaces. The alkanes range in length from n-nonane (C(9)H(20)) to n-heptadecane (C(17)H(36)), and all liquids except heptadecane are studied at temperatures well above their bulk (and surface) freezing temperatures. Intensities of vibrational bands in the CH stretching region acquired under different polarization conditions show systematic, chain length dependent changes. Data provide clear evidence of methyl group segregation at the liquid/vapor interface, but two different models of alkane chain structure can predict chain length dependent changes in band intensities. Each model leads to a different interpretation of the extent to which different chain segments contribute to the anisotropic interfacial region. One model postulates that changes in vibrational band intensities arise solely from a reduced surface coverage of methyl groups as alkane chain length increases. The additional methylene groups at the surface must be randomly distributed and make no net contribution to the observed VSF spectra. The second model considers a simple statistical distribution of methyl and methylene groups populating a three dimensional, interfacial lattice. This statistical picture implies that the VSF signal arises from a region extending several functional groups into the bulk liquid, and that the growing fraction of methylene groups in longer chain alkanes bears responsibility for the observed spectral changes. The data and resulting interpretations provide clear benchmarks for emerging theories of molecular structure and organization at liquid surfaces, especially for liquids lacking strong polar ordering.

  11. Silicon surface structure-controlled oleophobicity.

    PubMed

    Liu, Yan; Xiu, Yonghao; Hess, Dennis W; Wong, C P

    2010-06-01

    Superoleophobic surfaces display contact angles >150 degrees with liquids that have lower surface energies than does water. The design of superoleophobic surfaces requires an understanding of the effect of the geometrical shape of etched silicon surfaces on the contact angle and hysteresis observed when different liquids are brought into contact with these surfaces. This study used liquid-based metal-assisted etching and various silane treatments to create superoleophobic surfaces on a Si(111) surface. Etch conditions such as the etch time and etch solution concentration played critical roles in establishing the oleophobicity of Si(111). When compared to Young's contact angle, the apparent contact angle showed a transition from a Cassie to a Wenzel state for low-surface-energy liquids as different silane treatments were applied to the silicon surface. These results demonstrated the relationship between the re-entrant angle of etched surface structures and the contact angle transition between Cassie and Wenzel behavior on etched Si(111) surfaces.

  12. 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.

  13. An X-band bifunctional antenna using anisotropic transparent meta-surface

    NASA Astrophysics Data System (ADS)

    Cai, Tong; Wang, Guang-Ming; Liang, Jian-Gang

    2017-04-01

    An integration of a transmitarray antenna and a beam-steering antenna has been achieved and experimentally demonstrated. The antenna system operating at X-band (8-12 GHz) is implemented by a well-optimized transparent meta-surface and launched by polarization-controlled feed antennas. The transparent meta-surface, with polarization-independent property, consists of 12 × 12 elements with a parabolic phase distribution at y-direction and a linear phase gradient at x = direction, respectively. Illuminating the meta-surface with differently-polarized electromagnetic waves, anomalous phenomena of beam bending and focusing are clearly observed. The performances of the antenna system are investigated in depth through near-field analysis and far-field measurements. Numerical and experimental results coincide well, indicating that the proposed antenna system advances in many aspects such as bifuncional radiation patterns, a broad bandwidth and also a simple fabrication process based on the convenient print circuit board (PCB) technology.

  14. 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.

  15. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

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

  17. Progress report on new rf breakdown studies in an S-band structure at SLAC

    SciTech Connect

    Wang, J.W.; Loew, G.A.

    1987-02-01

    This paper gives a progress report on RF breakdown studies carried out at SLAC on an S-band standing-wave disk-loaded accelerator structure. The structure is the same as described at two earlier conferences but it has been equipped with eight new radial probes and one output port to observe the emission of light, which has not yet been used. The earlier breakdown limit of 144 MV/m equivalent traveling-wave accelerating gradient and 312 MV/m peak surface field has been reached again and possibly exceeded slightly even though the disk iris edges are severely pitted from earlier tests. Using the new probes it has become possible to monitor field emission as a function of azimuthal direction as well as to record the signals generated at the instant of breakdown. Results are given together with some information on the condition of the structure, chemical cleaning and RF processing. The paper ends with the presentation of some speculations and future plans.

  18. 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.

  19. 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.

  20. Effect of eddy current damping on phononic band gaps generated by locally resonant periodic structures

    NASA Astrophysics Data System (ADS)

    Ozkaya, Efe; Yilmaz, Cetin

    2017-02-01

    The effect of eddy current damping on a novel locally resonant periodic structure is investigated. The frequency response characteristics are obtained by using a lumped parameter and a finite element model. In order to obtain wide band gaps at low frequencies, the periodic structure is optimized according to certain constraints, such as mass distribution in the unit cell, lower limit of the band gap, stiffness between the components in the unit cell, the size of magnets used for eddy current damping, and the number of unit cells in the periodic structure. Then, the locally resonant periodic structure with eddy current damping is manufactured and its experimental frequency response is obtained. The frequency response results obtained analytically, numerically and experimentally match quite well. The inclusion of eddy current damping to the periodic structure decreases amplitudes of resonance peaks without disturbing stop band width.

  1. Berry phase and band structure analysis of the Weyl semimetal NbP

    PubMed Central

    Sergelius, Philip; Gooth, Johannes; Bäßler, Svenja; Zierold, Robert; Wiegand, Christoph; Niemann, Anna; Reith, Heiko; Shekhar, Chandra; Felser, Claudia; Yan, Binghai; Nielsch, Kornelius

    2016-01-01

    Weyl semimetals are often considered the 3D-analogon of graphene or topological insulators. The evaluation of quantum oscillations in these systems remains challenging because there are often multiple conduction bands. We observe de Haas-van Alphen oscillations with several frequencies in a single crystal of the Weyl semimetal niobium phosphide. For each fundamental crystal axis, we can fit the raw data to a superposition of sinusoidal functions, which enables us to calculate the characteristic parameters of all individual bulk conduction bands using Fourier transform with an analysis of the temperature and magnetic field-dependent oscillation amplitude decay. Our experimental results indicate that the band structure consists of Dirac bands with low cyclotron mass, a non-trivial Berry phase and parabolic bands with a higher effective mass and trivial Berry phase. PMID:27667203

  2. 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.

  3. Surface crystallography and electronic structure of potassium yttrium tungstate

    SciTech Connect

    Atuchin, V. V.; Pokrovsky, L. D.; Khyzhun, O. Yu.; Sinelnichenko, A. K.; Ramana, C. V.

    2008-08-01

    Structural and electronic characteristics of KY(WO{sub 4}){sub 2} (KYW) (010) crystal surfaces have been studied using reflection high-energy electron diffraction (RHEED) and x-ray photoelectron spectroscopy (XPS). The results indicate that the crystal structure and chemical composition of the mechanically polished pristine surface is stoichiometrically well maintained as expected for KYW crystals. Combined measurements of RHEED and XPS as a function of 1.5 keV Ar{sup +} ion irradiation of the KYW (010) surfaces indicate amorphization, partial loss of potassium atoms, and partial transformation of chemical valence state of tungsten from W{sup 6+} to a lower valence state, W{sup 0} state predominantly, which induces electronic states at the top of valence band.

  4. Probing the graphite band structure with resonant soft-x-ray fluorescence

    SciTech Connect

    Carlisle, J.A.; Shirley, E.L.; Hudson, E.A.

    1997-04-01

    Soft x-ray fluorescence (SXF) spectroscopy using synchrotron radiation offers several advantages over surface sensitive spectroscopies for probing the electronic structure of complex multi-elemental materials. Due to the long mean free path of photons in solids ({approximately}1000 {angstrom}), SXF is a bulk-sensitive probe. Also, since core levels are involved in absorption and emission, SXF is both element- and angular-momentum-selective. SXF measures the local partial density of states (DOS) projected onto each constituent element of the material. The chief limitation of SXF has been the low fluorescence yield for photon emission, particularly for light elements. However, third generation light sources, such as the Advanced Light Source (ALS), offer the high brightness that makes high-resolution SXF experiments practical. In the following the authors utilize this high brightness to demonstrate the capability of SXF to probe the band structure of a polycrystalline sample. In SXF, a valence emission spectrum results from transitions from valence band states to the core hole produced by the incident photons. In the non-resonant energy regime, the excitation energy is far above the core binding energy, and the absorption and emission events are uncoupled. The fluorescence spectrum resembles emission spectra acquired using energetic electrons, and is insensitive to the incident photon`s energy. In the resonant excitation energy regime, core electrons are excited by photons to unoccupied states just above the Fermi level (EF). The absorption and emission events are coupled, and this coupling manifests itself in several ways, depending in part on the localization of the empty electronic states in the material. Here the authors report spectral measurements from highly oriented pyrolytic graphite.

  5. Three-Dimensional Structure of Vertebrate Muscle Z-Band: The Small-Square Lattice Z-Band in Rat Cardiac Muscle.

    PubMed

    Burgoyne, Thomas; Morris, Edward P; Luther, Pradeep K

    2015-11-06

    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 5-7nm 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.

  6. 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 La(1-x)Sr(x)BO3 perovskites and La(2-x)Sr(x)BO4 layered perovskites (B = Fe, Co, Ni, or Mn), were employed as model systems to identify favorable electronic structures for water oxidation. We established a direct correlation between the enhancement of catalytic activity and the insulator to metal transition through tuning the electronic properties of the target perovskite families via the La(3+)/Sr(2+) ratio. Their improved photochemical water oxidation performance was clearly linked to the increasingly metallic character. These electronic structure-activity relations provide a promising guideline for constructing efficient water oxidation catalysts.

  7. 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

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

  9. 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)

  10. Electronic band structure of TiN/MgO nanostructures

    NASA Astrophysics Data System (ADS)

    Kobayashi, Kazuaki; Takaki, Hirokazu; Shimono, Masato; Kobayashi, Nobuhiko; Hirose, Kenji

    2017-04-01

    Various nanostructured TiN(001)/MgO(001) superlattices based on a repeated slab model with a vacuum region have been investigated by the total energy pseudopotential method. They are rectangular and rectangular parallelepiped TiN(001) dot structures on MgO(001)-2×2 and 3×3 substrates. A rectangular TiN(001) structure on a MgO(001)-2×1 substrate has also been calculated. Their detailed electronic and internal lattice properties were investigated systematically. The internal atomic coordinates in a unit cell were fully relaxed. The rectangular TiN(001) structure on the MgO(001)-2×1 superlattice, which is not a dot owing to its periodicity, corresponds to metallicity. The electronic states of relaxed rectangular TiN(001) dot/MgO(001)-2×2 and MgO(001)-3×3 superlattices are semiconducting. All relaxed rectangular parallelepiped TiN(001) dot/MgO(001)-2×2 and MgO(001)-3×3 superlattices correspond to metallicity. The electronic properties depend on the shape of the TiN dot and the size of the MgO substrate.

  11. WISE 2000 campaign: sea surface salinity and wind retrievals from L-band radiometry

    NASA Astrophysics Data System (ADS)

    Camps, Adriano; Corbella, Ignasi; Font, Jordi; Etchetto, Jacqueline; Duffo, Nuria; Vall-llossera, Merce; Bara, Javier; Torres, Francisco; Wursteisen, Patrick; Martin-Neira, Manuel

    2000-12-01

    Sea surface salinity (SSS) has been recognized as a key parameter in climatological studies. SSS can be measured by passive microwave remote sensing at L band, where the sensitivity of the brightness temperatures shows a maximum and the atmosphere is almost transparent. To provide global coverage of this basic parameter with a 3-day revisit time, the SMOS mission was recently selected by ESA within the frame of the Earth Explorer Opportunity Missions. The SMOS mission will carry the MIRAS instrument, the first 2D L-band aperture synthesis interferometric radiometer. To address new challenges that this mission presents, such as incidence angle variation with pixel, polarization mixing, effect of wind and foam and others, a measurement campaign has been sponsored by ESA under the name of WISE 2000 and it is scheduled for October-November 2000. Two L-band radiometers, a video, a IR and a stereo-camera and four oceanographic and meteorological buoys will be installed in the oil platform 'Casablanca' located at 40 Km off the coast of Tarragona, where the sea conditions are representative of the Mediterranean open sea with periodic influence of the Ebro river fresh water plume.

  12. 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.

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

    SciTech Connect

    Wu, Kai; Zhan, Yaohui E-mail: xfli@suda.edu.cn; Wu, Shaolong; Deng, Jiajia; Li, Xiaofeng E-mail: xfli@suda.edu.cn

    2015-08-14

    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.

  14. Numerical simulation of condensation on structured surfaces.

    PubMed

    Fu, Xiaowu; Yao, Zhaohui; Hao, Pengfei

    2014-11-25

    Condensation of liquid droplets on solid surfaces happens widely in nature and industrial processes. This phase-change phenomenon has great effect on the performance of some microfluidic devices. On the basis of micro- and nanotechnology, superhydrophobic structured surfaces can be well-fabricated. In this work, the nucleating and growth of droplets on different structured surfaces are investigated numerically. The dynamic behavior of droplets during the condensation is simulated by the multiphase lattice Boltzmann method (LBM), which has the ability to incorporate the microscopic interactions, including fluid-fluid interaction and fluid-surface interaction. The results by the LBM show that, besides the chemical properties of surfaces, the topography of structures on solid surfaces influences the condensation process. For superhydrophobic surfaces, the spacing and height of microridges have significant influence on the nucleation sites. This mechanism provides an effective way for prevention of wetting on surfaces in engineering applications. Moreover, it suggests a way to prevent ice formation on surfaces caused by the condensation of subcooled water. For hydrophilic surfaces, however, microstructures may be submerged by the liquid films adhering to the surfaces. In this case, microstructures will fail to control the condensation process. Our research provides an optimized way for designing surfaces for condensation in engineering systems.

  15. Triaxial-band structures, chirality, and magnetic rotation in 133La

    NASA Astrophysics Data System (ADS)

    Petrache, C. M.; Chen, Q. B.; Guo, S.; Ayangeakaa, A. D.; Garg, U.; Matta, J. T.; Nayak, B. K.; Patel, D.; Meng, J.; Carpenter, M. P.; Chiara, C. J.; Janssens, R. V. F.; Kondev, F. G.; Lauritsen, T.; Seweryniak, D.; Zhu, S.; Ghugre, S. S.; Palit, R.

    2016-12-01

    The structure of 133La has been investigated using the (22Ne 116Cd,4 p n ) reaction and the Gammasphere array. Three new bands of quadrupole transitions and one band of dipole transitions are identified and the previously reported level scheme is revised and extended to higher spins. The observed structures are discussed using the cranked Nilsson-Strutinsky formalism, covariant density functional theory, and the particle-rotor model. Triaxial configurations are assigned to all observed bands. For the high-spin bands it is found that rotations around different axes can occur, depending on the configuration. The orientation of the angular momenta of the core and of the active particles is investigated, suggesting chiral rotation for two nearly degenerate dipole bands and magnetic rotation for one dipole band. It is shown that the h11 /2 neutron holes present in the configuration of the nearly degenerate dipole bands have significant angular momentum components not only along the long axis but also along the short axis, contributing to the balance of the angular momentum components along the short and long axes and thus giving rise to a chiral geometry.

  16. Triaxial-band structures, chirality, and magnetic rotation in La133

    DOE PAGES

    Petrache, C. M.; Chen, Q. B.; Guo, S.; ...

    2016-12-05

    The structure of 133La has been investigated using the 116Cd(22Ne,4pn) reaction and the Gammasphere array. Three new bands of quadrupole transitions and one band of dipole transitions are identified and the previously reported level scheme is revised and extended to higher spins. The observed structures are discussed using the cranked Nilsson-Strutinsky formalism, covariant density functional theory, and the particle-rotor model. Triaxial configurations are assigned to all observed bands. For the high-spin bands it is found that rotations around different axes can occur, depending on the configuration. The orientation of the angular momenta of the core and of the activemore » particles is investigated, suggesting chiral rotation for two nearly degenerate dipole bands and magnetic rotation for one dipole band. As a result, it is shown that the h11/2 neutron holes present in the configuration of the nearly degenerate dipole bands have significant angular momentum components not only along the long axis but also along the short axis, contributing to the balance of the angular momentum components along the short and long axes and thus giving rise to a chiral geometry.« less

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

    SciTech Connect

    Yastrubchak, O.; Gluba, L.; Żuk, J.; Sadowski, J.; Krzyżanowska, H.; 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.

  18. Deformation analysis of ferrite/pearlite banded structure under uniaxial tension using digital image correlation

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaochuan; Wang, Yong; Yang, Jia; Qiao, Zhixia; Ren, Chunhua; Chen, Cheng

    2016-10-01

    The ferrite/pearlite banded structure causes the anisotropic behavior of steel. In this paper, digital image correlation (DIC) was used to analyze the micro deformation of this microstructure under uniaxial tension. The reliability of DIC for this application was verified by a zero-deformation experiment. The results show that the performance of DIC can satisfy the requirements of the tensile deformation measurement. Then, two uniaxial tensile tests in different directions (longitudinal direction and transverse direction) were carried out and DIC was used to measure the micro deformation of the ferrite/pearlite banded structure. The measured results show that the ferrite bands undergo the main deformation in the transverse tension, which results in the relatively weaker tensile properties in the transverse direction than in the longitudinal direction. This work is useful to guide the modification of the bands morphology and extend the application scope of DIC.

  19. 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.

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

    SciTech Connect

    Shao, Yang; Yao, Kefu; Liu, Xue; Li, Mo

    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.

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

    NASA Astrophysics Data System (ADS)

    Chegel, Raad

    2016-06-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  3. The Study of Band Structure of Graphite Intercalation Compound Containing Sodium Calculated Using Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Nazrul Rosli, Ahmad; Fatimah Wahab, Izzati; Zabidi, Noriza Ahmad; Abu Kassim, Hasan

    2015-06-01

    Sodium intercalation in graphite (GIC-Na) was investigated by the first principle calculation. The structure of GIC-Na was calculated using density functional theory (DFT) with the aid of CASTEP module of Material Studio. The exchange correlation functional has been treat by local density approximation (LDA) and generalized gradient approximation (GGA). It was shown that, unlike potassium GIC and lithium GIC, the band gap of GIC-Na was not induced and has same value of band gap with bulk graphite.

  4. Study on band gap structure of Fibonacci quantum superlattices by using the transfer matrix method

    NASA Astrophysics Data System (ADS)

    Ferrando, V.; Castro-Palacio, J. C.; Marí, B.; Monsoriu, J. A.

    2014-02-01

    The scattering properties of particles in a one-dimensional Fibonacci sequence based potential have been analyzed by means of the Transfer Matrix Method. The electronic band gaps are examined comparatively with those obtained using the corresponding periodic potentials. The reflection coefficient shows self-similar properties for the Fibonacci superlattices. Moreover, by using the generalized Bragg's condition, the band gaps positions are derived from the golden mean involved in the design of the superlattice structure.

  5. Observation of Nonlinear Looped Band Structure of Bose-Einstein condensates in an optical lattice

    NASA Astrophysics Data System (ADS)

    Goldschmidt, Elizabeth; Koller, Silvio; Brown, Roger; Wyllie, Robert; Wilson, Ryan; Porto, Trey

    2016-05-01

    We study experimentally the stability of excited, interacting states of bosons in a double-well optical lattice in regimes where the nonlinear interactions are expected to induce ``swallow-tail'' looped band structure. By carefully preparing different initial coherent states and observing their subsequent decay, we observe distinct decay rates, which provide direct evidence for multi-valued band structure. The double well lattice both stabilizes the looped band structure and allows for dynamic preparation of different initial states, including states within the loop structure. We confirm our state preparation procedure with dynamic Gross-Pitaevskii calculations. The excited loop states are found to be more stable than dynamically unstable ground states, but decay faster than expected based on a mean-field stability calculation, indicating the importance of correlations beyond a mean-field description. Now at Georgia Tech Research Institute.

  6. Dual-Band Perfect Absorption by Breaking the Symmetry of Metamaterial Structure

    NASA Astrophysics Data System (ADS)

    Hai, Le Dinh; Qui, Vu Dinh; Dinh, Tiep Hong; Hai, Pham; Giang, Trinh Thị; Cuong, Tran Manh; Tung, Bui Son; Lam, Vu Dinh

    2017-02-01

    Since the first proposal of Landy et al. (Phys Rev Lett 100:207402, 2008), the metamaterial perfect absorber (MPA) has rapidly become one of the most crucial research trends. Recently, dual-band, multi-band and broadband MPA have been highly desirable in electronic applications. In this paper, we demonstrate and evaluate a MPA structure which can generate dual-band absorption operating at the microwave frequency by breaking the symmetry of structure. There is an agreement between simulation and experimental results. The results can be explained by using the equivalent LC circuit and the electric field distribution of this structure. In addition, various structures with different symmetry configurations were studied to gain greater insight into the absorption.

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

    SciTech Connect

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

    2015-11-23

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

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

    PubMed Central

    Davis, Edward Byrd

    2016-01-01

    Enamel patterns on the occlusal surfaces of equid teeth are asserted to have tribal-level differences. The most notable example compares the Equini and Hipparionini, where Equini have higher crowned teeth with less enamel-band complexity and less total occlusal enamel than Hipparionini. Whereas previous work has successfully quantified differences in enamel band shape by dividing the length of enamel band by the square root of the occlusal surface area (Occlusal Enamel Index, OEI), it was clear that OEI only partially removes the effect of body size. Because enamel band length scales allometrically, body size still has an influence on OEI, with larger individuals having relatively longer enamel bands than smaller individuals. Fractal dimensionality (D) can be scaled to any level, so we have used it to quantify occlusal enamel complexity in a way that allows us to get at an accurate representation of the relationship between complexity and body size. To test the hypothesis of tribal-level complexity differences between Equini and Hipparionini, we digitally traced a sample of 98 teeth, one tooth per individual; 31 Hipparionini and 67 Equini. We restricted our sampling to the P3-M2 to reduce the effect of tooth position. After calculating the D of these teeth with the fractal box method which uses the number of boxes of various sizes to calculate the D of a line, we performed a t-test on the individual values of D for each specimen, comparing the means between the two tribes, and a phylogenetically informed generalized least squares regression (PGLS) for each tribe with occlusal surface area as the independent variable and D as the dependent variable. The slopes of both PGLS analyses were compared using a t-test to determine if the same linear relationship existed between the two tribes. The t-test between tribes was significant (p < 0.0001), suggesting different D populations for each lineage. The PGLS for Hipparionini was a positive but not significant (p = 0

  9. 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.

  10. Low band gap frequencies and multiplexing properties in 1D and 2D mass spring structures

    NASA Astrophysics Data System (ADS)

    Aly, Arafa H.; Mehaney, Ahmed

    2016-11-01

    This study reports on the propagation of elastic waves in 1D and 2D mass spring structures. An analytical and computation model is presented for the 1D and 2D mass spring systems with different examples. An enhancement in the band gap values was obtained by modeling the structures to obtain low frequency band gaps at small dimensions. Additionally, the evolution of the band gap as a function of mass value is discussed. Special attention is devoted to the local resonance property in frequency ranges within the gaps in the band structure for the corresponding infinite periodic lattice in the 1D and 2D mass spring system. A linear defect formed of a row of specific masses produces an elastic waveguide that transmits at the narrow pass band frequency. The frequency of the waveguides can be selected by adjusting the mass and stiffness coefficients of the materials constituting the waveguide. Moreover, we pay more attention to analyze the wave multiplexer and DE-multiplexer in the 2D mass spring system. We show that two of these tunable waveguides with alternating materials can be employed to filter and separate specific frequencies from a broad band input signal. The presented simulation data is validated through comparison with the published research, and can be extended in the development of resonators and MEMS verification.

  11. Band structure evolution during the ultrafast ferromagnetic-paramagnetic phase transition in cobalt

    PubMed Central

    Eich, Steffen; Plötzing, Moritz; Rollinger, Markus; Emmerich, Sebastian; Adam, Roman; Chen, Cong; Kapteyn, Henry Cornelius; Murnane, Margaret M.; Plucinski, Lukasz; Steil, Daniel; Stadtmüller, Benjamin; Cinchetti, Mirko; Aeschlimann, Martin; Schneider, Claus M.; Mathias, Stefan

    2017-01-01

    The evolution of the electronic band structure of the simple ferromagnets Fe, Co, and Ni during their well-known ferromagnetic-paramagnetic phase transition has been under debate for decades, with no clear and even contradicting experimental observations so far. Using time- and spin-resolved photoelectron spectroscopy, we can make a movie on how the electronic properties change in real time after excitation with an ultrashort laser pulse. This allows us to monitor large transient changes in the spin-resolved electronic band structure of cobalt for the first time. We show that the loss of magnetization is not only found around the Fermi level, where the states are affected by the laser excitation, but also reaches much deeper into the electronic bands. We find that the ferromagnetic-paramagnetic phase transition cannot be explained by a loss of the exchange splitting of the spin-polarized bands but instead shows rapid band mirroring after the excitation, which is a clear signature of extremely efficient ultrafast magnon generation. Our result helps to understand band structure formation in these seemingly simple ferromagnetic systems and gives first clear evidence of the transient processes relevant to femtosecond demagnetization. PMID:28378016

  12. Theoretical modelling of tunable narrow band reflective spectrum using nanoscale surface plasmons

    NASA Astrophysics Data System (ADS)

    Yang, J.; Lin, G. W.; Niu, Y. P.; Gong, S. Q.

    2017-04-01

    The spectrum width can be narrowed to a certain degree by decreasing the coupling strength for the two-level emitter coupled to the propagating surface plasmon. But the width can not be narrowed any further because of the loss of the photon out of the system by the spontaneous emission of the emitter. Here we accurately solve the single photon scattering problem for the surface plasmon coupling with a four-level tripod emitter, and propose a new scheme to obtain the reflective spectrum with tunable ultranarrow band. It is shown that the spectrum width can be narrowed avoiding the impact of the loss. Furthermore, the position of ultranarrow peak can be tunable by choosing the appropriate parameters.

  13. Bulk and surface electronic structure of hexagonal structured PtBi2 studied by angle-resolved photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Yao, Q.; Du, Y. P.; Yang, X. J.; Zheng, Y.; Xu, D. F.; Niu, X. H.; Shen, X. P.; Yang, H. F.; Dudin, P.; Kim, T. K.; Hoesch, M.; Vobornik, I.; Xu, Z.-A.; Wan, X. G.; Feng, D. L.; Shen, D. W.

    2016-12-01

    PtBi2 with a layered hexagonal crystal structure was recently reported to exhibit an unconventional large linear magnetoresistance, while the mechanism involved is still elusive. Using high-resolution angle-resolved photoemission spectroscopy, we present a systematic study on its bulk and surface electronic structure. Through careful comparison with first-principle calculations, our experiment distinguishes the low-lying bulk bands from entangled surface states, allowing the estimation of the real composition of samples. We find significant electron doping in PtBi2, implying a substantial Bi-deficiency-induced disorder therein. Intriguingly, we discover a Dirac-cone-like surface state on the boundary of the Brillouin zone, which is identified as an accidental Dirac band without topological protection. Our findings exclude linear band dispersion in the quantum limit as the cause of the unconventional large linear magnetoresistance but give support to the classical disorder model from the perspective of the electronic structure.

  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. 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

  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.

  17. Observation of 'Band' Structures in Spacecraft Observations of Inner Magnetosphere Plasma Electrons

    NASA Astrophysics Data System (ADS)

    Mohan Narasimhan, Kirthika; Fazakerley, Andrew; Milhaljcic, Branislav; Grimald, Sandrine; Dandouras, Iannis; Owen, Chris

    2013-04-01

    In previous studies, several authors have reported inner magnetosphere observations of proton distributions confined to narrow energy bands in the range of 1-25 keV. These structures have been known as "nose structures", with reference to their appearance in energy-time spectrograms and are known as "bands" if they are observed for extended periods of time. These proton structures have been studied quite extensively with multiple mechanisms proposed for their formation, not all of which apply for electrons. We examine Double-Star TC1 PEACE electron data recorded in the inner magnetosphere (L<15) near the equatorial plane to see if these features are also observed in the electron energy spectra. These "bands" also appear in electron spectrograms, spanning an energy range of 0.2-30 keV, and are shown to occur predominantly towards the dayside and dusk sectors. We also see multiple bands in some instances. We investigate the properties of these multi-banded structures and carry out a statistical survey analysing them as a function of geomagnetic activity, looking at both the Kp and Auroral Indices, in an attempt to explain their presence.

  18. 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).

  19. 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.

  20. Valence-band electronic structure evolution of graphene oxide upon thermal annealing for optoelectronics

    SciTech Connect

    Yamaguchi, Hisato; Ogawa, Shuichi; Watanabe, Daiki; Hozumi, Hideaki; Gao, Yongqian; Eda, Goki; Mattevi, Cecilia; Fujita, Takeshi; Yoshigoe, Akitaka; Ishizuka, Shinji; Adamska, Lyudmyla; Yamada, Takatoshi; Dattelbaum, Andrew M.; Gupta, Gautam; Doorn, Stephen K.; Velizhanin, Kirill A.; Teraoka, Yuden; Chen, Mingwei; Htoon, Han; Chhowalla, Manish; Mohite, Aditya D.; Takakuwa, Yuji

    2016-09-01

    We report valence band electronic structure evolution of graphene oxide (GO) upon its thermal reduction. Degree of oxygen functionalization was controlled by annealing temperatures, and an electronic structure evolution was monitored using real-time ultraviolet photoelectron spectroscopy. We observed a drastic increase in density of states around the Fermi level upon thermal annealing at ~600 °C. The result indicates that while there is an apparent band gap for GO prior to a thermal reduction, the gap closes after an annealing around that temperature. This trend of band gap closure was correlated with electrical, chemical, and structural properties to determine a set of GO material properties that is optimal for optoelectronics. The results revealed that annealing at a temperature of ~500 °C leads to the desired properties, demonstrated by a uniform and an order of magnitude enhanced photocurrent map of an individual GO sheet compared to as-synthesized counterpart.

  1. Valence-band electronic structure evolution of graphene oxide upon thermal annealing for optoelectronics

    DOE PAGES

    Yamaguchi, Hisato; Ogawa, Shuichi; Watanabe, Daiki; ...

    2016-09-01

    We report valence band electronic structure evolution of graphene oxide (GO) upon its thermal reduction. Degree of oxygen functionalization was controlled by annealing temperatures, and an electronic structure evolution was monitored using real-time ultraviolet photoelectron spectroscopy. We observed a drastic increase in density of states around the Fermi level upon thermal annealing at ~600 °C. The result indicates that while there is an apparent band gap for GO prior to a thermal reduction, the gap closes after an annealing around that temperature. This trend of band gap closure was correlated with electrical, chemical, and structural properties to determine a setmore » of GO material properties that is optimal for optoelectronics. The results revealed that annealing at a temperature of ~500 °C leads to the desired properties, demonstrated by a uniform and an order of magnitude enhanced photocurrent map of an individual GO sheet compared to as-synthesized counterpart.« less

  2. Graphene Oxide Regulated Tin Oxide Nanostructures: Engineering Composition, Morphology, Band Structure, and Photocatalytic Properties.

    PubMed

    Pan, Xiaoyang; Yi, Zhiguo

    2015-12-16

    A facile, one-step hydrothermal method has been developed to fabricate tin oxide-reduced graphene oxide (Sn-RGO) nanocomposites with tunable composition, morphology, and energy band structure by utilizing graphene oxide (GO) as a multifunctional two-dimensional scaffold. By adjusting the GO concentration during synthesis, a variety of tin oxide nanomaterials with diverse composition and morphology are obtained. Simultaneously, the varying of GO concentration can also narrow the bandgap and tune the band edge positions of the Sn-RGO nanocomposites. As a result, the Sn-RGO nanocomposites with controllable composition, morphology, and energy band structure are obtained, which exhibit efficient photoactivities toward methyl orange (MO) degradation under visible-light irradiation. It is expected that our work would point to the new possibility of using GO for directing synthesis of semiconductor nanomaterials with tailored structure and physicochemical properties.

  3. Band structures of nonmagnetic transition-metal oxides: PdO and PtO

    SciTech Connect

    Hass, K.C. ); Carlsson, A.E. )

    1992-08-15

    The electronic band structures of PdO and PtO are calculated using the augmented-spherical-wave method and the local-density approximation. Our results are consistent with the widely held view of these materials as conventional band insulators with the crystal-field splitting of metal {ital d} states primarily responsible for gap formation. A significant role for correlation effects as well cannot be ruled out. The predicted valence-band structure for PdO agrees well with published photoemission data. The electronic structure of PtO is qualitatively similar. In both cases the calculated gap is direct and occurs at the {ital M} point of the Brillouin zone. The magnitude of the gap is found to be larger in PtO, which we attribute to the more relativistic nature of Pt compared to Pd.

  4. Lateral energy band profile modulation in tunnel field effect transistors based on gate structure engineering

    NASA Astrophysics Data System (ADS)

    Cui, Ning; Liang, Renrong; Wang, Jing; Xu, Jun

    2012-06-01

    Choosing novel materials and structures is important for enhancing the on-state current in tunnel field-effect transistors (TFETs). In this paper, we reveal that the on-state performance of TFETs is mainly determined by the energy band profile of the channel. According to this interpretation, we present a new concept of energy band profile modulation (BPM) achieved with gate structure engineering. It is believed that this approach can be used to suppress the ambipolar effect. Based on this method, a Si TFET device with a symmetrical tri-material-gate (TMG) structure is proposed. Two-dimensional numerical simulations demonstrated that the special band profile in this device can boost on-state performance, and it also suppresses the off-state current induced by the ambipolar effect. These unique advantages are maintained over a wide range of gate lengths and supply voltages. The BPM concept can serve as a guideline for improving the performance of nanoscale TFET devices.

  5. Band structures in two-dimensional phononic crystals with periodic Jerusalem cross slot

    NASA Astrophysics Data System (ADS)

    Li, Yinggang; Chen, Tianning; Wang, Xiaopeng; Yu, Kunpeng; Song, Ruifang

    2015-01-01

    In this paper, a novel two-dimensional phononic crystal composed of periodic Jerusalem cross slot in air matrix with a square lattice is presented. The dispersion relations and the transmission coefficient spectra are calculated by using the finite element method based on the Bloch theorem. The formation mechanisms of the band gaps are analyzed based on the acoustic mode analysis. Numerical results show that the proposed phononic crystal structure can yield large band gaps in the low-frequency range. The formation mechanism of opening the acoustic band gaps is mainly attributed to the resonance modes of the cavities inside the Jerusalem cross slot structure. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically. Results show that the band gaps can be modulated in an extremely large frequency range by the geometry parameters such as the slot length and width. These properties of acoustic waves in the proposed phononic crystals can potentially be applied to optimize band gaps and generate low-frequency filters and waveguides.

  6. 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.

  7. Elimination of surface band bending on N-polar InN with thin GaN capping

    SciTech Connect

    Kuzmík, J. Haščík, Š.; Kučera, M.; Kúdela, R.; Dobročka, E.; Adikimenakis, A.; Mičušík, M.; Gregor, M.; Plecenik, A.; Georgakilas, A.

    2015-11-09

    0.5–1 μm thick InN (0001) films grown by molecular-beam epitaxy with N- or In-polarity are investigated for the presence of native oxide, surface energy band bending, and effects introduced by 2 to 4 monolayers of GaN capping. Ex situ angle-resolved x-ray photo-electron spectroscopy is used to construct near-surface (GaN)/InN energy profiles, which is combined with deconvolution of In3d signal to trace the presence of InN native oxide for different types of polarity and capping. Downwards surface energy band bending was observed on bare samples with native oxide, regardless of the polarity. It was found that the In-polar InN surface is most readily oxidized, however, with only slightly less band bending if compared with the N-polar sample. On the other hand, InN surface oxidation was effectively mitigated by GaN capping. Still, as confirmed by ultra-violet photo-electron spectroscopy and by energy band diagram calculations, thin GaN cap layer may provide negative piezoelectric polarization charge at the GaN/InN hetero-interface of the N-polar sample, in addition to the passivation effect. These effects raised the band diagram up by about 0.65 eV, reaching a flat-band profile.

  8. Surface Structure of Aerobically Oxidized Diamond Nanocrystals

    DTIC Science & Technology

    2014-10-27

    distribution is unlimited. Surface Structure of Aerobically Oxidized Diamond Nanocrystals The views, opinions and/or findings contained in this report...2211 diamond nanocrystals, REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT NUMBER(S) 10. SPONSOR/MONITOR’S ACRONYM(S) ARO 8. PERFORMING...Room 254, Mail Code 8725 New York, NY 10027 -7922 ABSTRACT Surface Structure of Aerobically Oxidized Diamond Nanocrystals Report Title We investigate

  9. Shear banding and its contribution to texture evolution in rotated Goss orientations of BCC structured materials

    NASA Astrophysics Data System (ADS)

    Nguyen-Minh, T.; Sidor, J. J.; Petrov, R. H.; Kestens, L. A. I.

    2015-04-01

    Due to progressive deformation, the dislocation densities in crystals are accumulated and the resistance of grains to further deformation increases. Homogeneous deformation becomes energetically less favorable, which may result for some orientations in strain localization. In-grain shear banding, a typical kind of localized deformation in metals with BCC crystal structure, has been accounted for by the geometric softening of crystals. In this study, the occurrence of shear bands in rotated Goss ({110}<110>) orientations of Fe-Si steel is predicted by crystal plasticity simulations and validated by EBSD measurements. It was observed and confirmed by crystal plasticity modeling that such shear bands exhibit stable cube orientations The orientation evolution of crystals in shear bands and its impact on annealing texture of materials are also described.

  10. TUNABLE Band Structures of 2d Multi-Atom Archimedean-Like Phononic Crystals

    NASA Astrophysics Data System (ADS)

    Xu, Y. L.; Chen, C. Q.; Tian, X. G.

    2012-06-01

    Two dimensional multi-atom Archimedean-like phononic crystals (MAPCs) can be obtained by adding "atoms" at suitable positions in primitive cells of traditional simple lattices. Band structures of solid-solid and solid-air MAPCs are computed by the finite element method in conjunction with the Bloch theory. For the solid-solid system, our results show that the MAPCs can be suitably designed to split and shift band gaps of the corresponding traditional simple phononic crystal (i.e., with only one scatterer inside a primitive cell). For the solid-air system, the MAPCs have more and wider band gaps than the corresponding traditional simple phononic crystal. Numerical calculations for both solid-solid and solid-air MAPCs show that the band gap of traditional simple phononic crystal can be tuned by appropriately adding "atoms" into its primitive cell.

  11. 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.

  12. Effective parameters in beam acoustic metamaterials based on energy band structures

    NASA Astrophysics Data System (ADS)

    Jing, Li; Wu, Jiu Hui; Guan, Dong; Hou, Mingming; Kuan, Lu; Shen, Li

    2016-07-01

    We present a method to calculate the effective material parameters of beam acoustic metamaterials. The effective material parameters of a periodic beam are calculated as an example. The dispersion relations and energy band structures of this beam are calculated. Subsequently, the effective material parameters of the beam are investigated by using the energy band structures. Then, the modal analysis and transmission properties of the beams with finite cells are simulated in order to confirm the correctness of effective approximation. The results show that the periodic beam can be equivalent to the homogeneous beam with dynamic effective material parameters in passband.

  13. On the origin of a band gap in compounds of diamond-like structures.

    PubMed

    Köhler, Jürgen; Deng, Shuiquan; Lee, Changhoon; Whangbo, Myung-Hwan

    2007-03-19

    Electronic structure calculations were performed to examine the origin of a band gap present in most 18-electron half-Heusler compounds and its absence in NaTl. In these compounds of diamond-like structures, the presence or absence of a band gap is controlled by the sigma antibonding between the valence s orbitals, and the bonding characteristics of the late-main-group elements depend on the extent of their ns/np hybridization. Implications of these observations on the formal oxidation state and the covalent bonding of the transition-metal atoms in 18-electron half-Heusler and related compounds were discussed.

  14. Enlarged band gap and electron switch in graphene-based step-barrier structure

    SciTech Connect

    Lu, Wei-Tao Ye, Cheng-Zhi; 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.

  15. Full band structure calculation of two-photon indirect absorption in bulk silicon

    SciTech Connect

    Cheng, J. L.; Rioux, J.; Sipe, J. E.

    2011-03-28

    Degenerate two-photon indirect absorption in silicon is an important limiting effect on the use of silicon structures for all-optical information processing at telecommunication wavelengths. We perform a full band structure calculation to investigate two-photon indirect absorption in bulk silicon, using a pseudopotential description of the energy bands and an adiabatic bond charge model to describe phonon dispersion and polarization. Our results agree well with some recent experimental results. The transverse acoustic/optical phonon-assisted processes dominate.

  16. 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

  17. Structural, electronic structure, and band alignment properties at epitaxial NiO/Al2O3 heterojunction evaluated from synchrotron based X-ray techniques

    NASA Astrophysics Data System (ADS)

    Singh, S. D.; Nand, Mangla; Das, Arijeet; Ajimsha, R. S.; Upadhyay, Anuj; Kamparath, Rajiv; Shukla, D. K.; Mukherjee, C.; Misra, P.; Rai, S. K.; Sinha, A. K.; Jha, S. N.; Phase, D. M.; Ganguli, Tapas

    2016-04-01

    The valence band offset value of 2.3 ± 0.2 eV at epitaxial NiO/Al2O3 heterojunction is determined from photoelectron spectroscopy experiments. Pulsed laser deposited thin film of NiO on Al2O3 substrate is epitaxially grown along [111] direction with two domain structures, which are in-plane rotated by 60° with respect to each other. Observation of Pendellosung oscillations around Bragg peak confirms high interfacial and crystalline quality of NiO layer deposited on Al2O3 substrate. Surface related feature in Ni 2p3/2 core level spectra along with oxygen K-edge soft X-ray absorption spectroscopy results indicates that the initial growth of NiO on Al2O3 substrate is in the form of islands, which merge to form NiO layer for the larger coverage. The value of conduction band offset is also evaluated from the measured values of band gaps of NiO and Al2O3 layers. A type-I band alignment at NiO and Al2O3 heterojunction is also obtained. The determined values of band offsets can be useful in heterojunction based light emitting devices.

  18. Band structure renormalization and weak pseudogap behavior in Na0.33CoO2 : Fluctuation exchange study based on a single-band model

    NASA Astrophysics Data System (ADS)

    Yao, Zi-Jian; Li, Jian-Xin; Wang, Z. D.

    2007-12-01

    Based on a single-band Hubbard model and the fluctuation exchange approximation, the effective mass and the energy band renormalization in Na0.33CoO2 is elaborated. The renormalization is observed to exhibit certain kind of anisotropy, which agrees qualitatively with the angle-resolved photoemission spectroscopy measurements. Moreover, the spectral function and density of states in the normal state are calculated, with a weak pseudogap behavior being seen, which is explained as a result of the strong Coulomb correlations. Our results suggest that the large Fermi surface associated with the a1g band plays likely a central role in the charge dynamics.

  19. 30 CFR 75.1708-1 - Surface structures; fireproof construction.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Surface structures; fireproof construction. 75... Surface structures; fireproof construction. Structures of fireproof construction is interpreted to mean structures with fireproof exterior surfaces....

  20. Band structure engineering and thermoelectric properties of charge-compensated filled skutterudites

    DOE PAGES

    Shi, Xiaoya; Yang, Jiong; Wu, Lijun; ...

    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

  1. 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.

  2. The Calculation of the Band Structure in 3D Phononic Crystal with Hexagonal Lattice

    NASA Astrophysics Data System (ADS)

    Aryadoust, Mahrokh; Salehi, H.

    2015-12-01

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

  3. Chemical sensing by band modulation of a black phosphorus/molybdenum diselenide van der Waals hetero-structure

    NASA Astrophysics Data System (ADS)

    Feng, Zhihong; Chen, Buyun; Qian, Shuangbei; Xu, Linyan; Feng, Liefeng; Yu, Yuanyuan; Zhang, Rui; Chen, Jiancui; Li, Qianqian; Li, Quanning; Sun, Chongling; Zhang, Hao; Liu, Jing; Pang, Wei; Zhang, Daihua

    2016-09-01

    We report on a new chemical sensor based on black phosphorus/molybdenum diselenide van der Waals hetero-junctions. Due to the atomically thin nature of two-dimensional (2D) materials, surface adsorption of gas molecules can effectively modulate the band alignment at the junction interface, making the device a highly sensitive detector for chemical adsorptions. Compared to sensors made of homogeneous nanomaterials, the hetero-junction demonstrates considerably lower detection limit and higher sensitivity toward nitrogen dioxide. Kelvin probe force microscopy and finite element simulations have provided experimental and theoretical explanations for the enhanced performance, proving that chemical adsorption can induce significant changes in band alignment and carrier transport behaviors. The study demonstrates the potential of van der Waals hetero-junction as a new platform for sensing applications, and provides more insights into the interaction between gaseous molecules and 2D hetero-structures.

  4. 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

  5. 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.

  6. Line nodes and surface Majorana flat bands in static and kicked p -wave superconducting Harper model

    NASA Astrophysics Data System (ADS)

    Wang, Huai-Qiang; Chen, M. N.; Bomantara, Raditya Weda; Gong, Jiangbin; Xing, D. Y.

    2017-02-01

    We investigate the effect of introducing nearest-neighbor p -wave superconducting pairing to both the static and kicked extended Harper model with two periodic phase parameters acting as artificial dimensions to simulate three-dimensional systems. It is found that in both the static model and the kicked model, by varying the p -wave pairing order parameter, the system can switch between a fully gapped phase and a gapless phase with point nodes or line nodes. The topological property of both the static and kicked model is revealed by calculating corresponding topological invariants defined in the one-dimensional lattice dimension. Under open boundary conditions along the physical dimension, Majorana flat bands at energy zero (quasienergy zero and π ) emerge in the static (kicked) model at the two-dimensional surface Brillouin zone. For certain values of pairing order parameter, (Floquet) Su-Schrieffer-Heeger-like edge modes appear in the form of arcs connecting different (Floquet) Majorana flat bands. Finally, we find that in the kicked model, it is possible to generate two controllable Floquet Majorana modes, one at quasienergy zero and the other at quasienergy π , at the same parameter values.

  7. Stacking-sequence-independent band structure and shear exfoliation of two-dimensional electride materials

    NASA Astrophysics Data System (ADS)

    Yi, Seho; Choi, Jin-Ho; Lee, Kimoon; Kim, Sung Wng; Park, Chul Hong; Cho, Jun-Hyung

    2016-12-01

    The electronic band structure of crystals is generally influenced by the periodic arrangement of their constituent atoms. Specifically, the emerging two-dimensional (2D) layered structures have shown different band structures with respect to their stacking configurations. Here, based on first-principles density-functional theory calculations, we demonstrate that the band structure of the recently synthesized 2D Ca2N electride changes little for the stacking sequence as well as the lateral interlayer shift. This intriguing invariance of band structure with respect to geometrical variations can be attributed to a complete screening of [Ca2N ] + cationic layers by anionic excess electrons delocalized between the cationic layers. The resulting weak interactions between 2D dressed cationic layers give rise to not only a shallow potential barrier for bilayer sliding but also an electron-doping-facilitated shear exfoliation. Our findings open a route for exploration of the peculiar geometry-insensitive electronic properties in 2D electride materials, which will be useful for future thermally stable electronic applications.

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

    SciTech Connect

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

    2016-05-09

    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.

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

    SciTech Connect

    Sutherland, Kevin Jerome

    2001-01-01

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

  10. Colloids with high-definition surface structures.

    PubMed

    Chen, Hsien-Yeh; Rouillard, Jean-Marie; Gulari, Erdogan; Lahann, Joerg

    2007-07-03

    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.

  11. 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

  12. The band structure of VO2 measured by angle-resolved photoemission

    NASA Astrophysics Data System (ADS)

    Moreschini, Luca; Chang, Young Jun; Innocenti, Davide; Walter, Andrew L.; Kim, Young Su; Gaines, Geoffrey; Bostwick, Aaron; Denlinger, Jonathan; Rotenberg, Eli

    2011-03-01

    The origin of the 340K metal-insulator transition (MIT) in VO2 is still under debate. the main reason is that no direct experimental verifications of the electronic structure of VO2 exist up to this point. The quality of the available single crystals is not sufficient for ARPES measurements, so that photoemission is limited to angle-integrated mode. New opportunities are offered by oxide films, on which data of equal or even higher quality have been reported (Saeki et al., PRB 2009). WIth the in situ pulsed-laser-deposition (PLD) system available on beamline 7.0.1 at the Advanced Light Source we have grown VO2(001) films on a TiO2 substrate and measured the Fermi surface of the metallic phase. These results will permit a direct comparison with the existing band calculations and open the way to the study of the MIT as a function, e.g., of film thickness or electron doping with Cr. Work supported by U.S. DOE (DE-AC02-05CH11231 for ALS), the Max Planck Society, and the Swiss National Science Foundation (PBELP2-125484).

  13. Band structures of cylindrical AlN/GaN quantum dots with fully coupled piezoelectric models

    NASA Astrophysics Data System (ADS)

    Prabhakar, Sanjay; Melnik, Roderick

    2010-08-01

    We study the coupled electro-mechanical effects in the band structure calculations of low dimensional semiconductor nanostructures (LDSNs) such as AlN/GaN quantum dots. Some effects in these systems are essentially nonlinear. Strain, piezoelectric effects, eigenvalues and wave functions of a quantum dot have been used as tuning parameters for the optical response of LDSNs in photonics, band gap engineering and other applications. However, with a few noticeable exceptions, the influence of piezoelectric effects in the electron wave functions in Quantum Dots (QDs) studied with fully coupled models has been largely neglected in the literature. In this paper, by using the fully coupled model of electroelasticity, we analyze the piezoelectric effects into the band structure of cylindrical quantum dots. Results are reported for III-V type semiconductors with a major focus given to AlN/GaN based QD systems.

  14. The influence of line shape and band structure on temperatures in planetary atmospheres

    NASA Technical Reports Server (NTRS)

    Arking, A.; Grossman, K.

    1972-01-01

    Numerical experiments are performed to examine the effects of line shape and band structure on the radiative equilibrium temperature profile in planetary atmospheres. In order to accurately determine these effects, a method for calculating radiative terms is developed which avoids the usual approximations. It differs from the more commonly used methods in that it allows arbitrary dependence of the absorption coefficient on wave number, without requiring tedious line by line integration and without the constraints of band models. The present formulation is restricted to homogeneous atmospheres but the concept can be extended to the more general case. The numerical experiments reveal that the line shape and band structure of the absorbing gases have a large effect on temperatures in the higher layers of the atmosphere (corresponding to the stratosphere and mesosphere). The more nongrey the spectrum (that is, the higher the peaks and the deeper the troughs in the spectrum), the lower the temperature.

  15. Damping Effect Studies for X-band Normal Conducting High Gradient Standing Wave Structures

    SciTech Connect

    Pei, S.; Li, Z.; Tantawi, S.G.; Dolgashev, V.A.; Wang, J.; /SLAC

    2009-08-03

    The Multi-TeV colliders should have the capability to accelerate low emittance beam with high rf efficiency, X-band normal conducting high gradient accelerating structure is one of the promising candidate. However, the long range transverse wake field which can cause beam emittance dilution is one of the critical issues. We examined effectiveness of dipole mode damping in three kinds of X-band, {pi}-mode standing wave structures at 11.424GHz with no detuning considered. They represent three damping schemes: damping with cylindrical iris slot, damping with choke cavity and damping with waveguide coupler. We try to reduce external Q factor below 20 in the first two dipole bands, which usually have very high (R{sub T}/Q){sub T}. The effect of damping on the acceleration mode is also discussed.

  16. Observation of electron excitation into silicon conduction band by slow-ion surface neutralization

    NASA Astrophysics Data System (ADS)

    Shchemelinin, S.; Breskin, A.

    2017-03-01

    Bare reverse biased silicon photodiodes were exposed to 3 eV He+, Ne+, Ar+, N2+, N+ and H2O+ ions. In all cases an increase of the reverse current through the diode was observed. This effect and its dependence on the ionization energy of the incident ions and on other factors are qualitatively explained in the framework of Auger-type surface neutralization theory. Amplification of the ion-induced charge was observed with an avalanche photodiode under high applied bias. The observed effect can be considered as ion-induced internal potential electron emission into the conduction band of silicon. To the best of our knowledge, no experimental evidence of such effect was previously reported. Possible applications are discussed.

  17. A time-series approach to estimating soil moisture from vegetated surfaces using L-band radar backscatter

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Many previous studies have shown the sensitivity of radar backscatter to surface soil moisture content, particularly at L-band. Moreover, the estimation of soil moisture from radar for bare soil surfaces is well-documented, but estimation underneath a vegetation canopy remains unsolved. Vegetation s...

  18. 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.

  19. 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.

  20. Direct observation of asymmetric band structure of bilayer graphene through quantum capacitance measurements

    NASA Astrophysics Data System (ADS)

    Kanayama, Kaoru; Nagashio, Kosuke; Nishimura, Tomonori; Toriumi, Akira

    2014-03-01

    Although upper conduction and valence sub-bands in bilayer graphene are known to be asymmetric, a detailed analysis based on the electrical measurements is very limited due to the infirm quality of gate insulator. In this study, the electrical quality of the top-gate Y2O3 insulator is drastically improved by the high-pressure O2 post-deposition annealing at 100 atm and the carrier density of ~8*1013 cm-2 is achieved. In quantum capacitance measurements, the drastic increase of the density of states is observed in addition to the van Hove singularity, suggesting that the Fermi energy reaches upper sub-band. At the same carrier density, the sudden reduction of the conductivity is observed, indicating that the inter-band scattering occurs. The estimated carrier density required to fill the upper sub-bands is different between electron and hole sides, i.e., asymmetric band structure between upper conduction and valence bands is revealed by the electrical measurements.

  1. 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.

  2. Electronic structure descriptor for the discovery of narrow-band red-emitting phosphors

    SciTech Connect

    Wang, Zhenbin; Chu, Iek -Heng; Zhou, Fei; Ong, Shyue Ping

    2016-05-09

    Narrow-band red-emitting phosphors are a critical component of phosphor-converted light-emitting diodes for highly efficient illumination-grade lighting. In this work, we report the discovery of a quantitative descriptor for narrow-band Eu2+-activated emission identified through a comparison of the electronic structures of known narrow-band and broad-band phosphors. We find that a narrow emission bandwidth is characterized by a large splitting of more than 0.1 eV between the two highest Eu2+ 4f7 bands. By incorporating this descriptor in a high-throughput first-principles screening of 2259 nitride compounds, we identify five promising new nitride hosts for Eu2+-activated red-emitting phosphors that are predicted to exhibit good chemical stability, thermal quenching resistance, and quantum efficiency, as well as narrow-band emission. Lastly, our findings provide important insights into the emission characteristics of rare-earth activators in phosphor hosts and a general strategy to the discovery of phosphors with a desired emission peak and bandwidth.

  3. Electronic structure descriptor for the discovery of narrow-band red-emitting phosphors

    DOE PAGES

    Wang, Zhenbin; Chu, Iek -Heng; Zhou, Fei; ...

    2016-05-09

    Narrow-band red-emitting phosphors are a critical component of phosphor-converted light-emitting diodes for highly efficient illumination-grade lighting. In this work, we report the discovery of a quantitative descriptor for narrow-band Eu2+-activated emission identified through a comparison of the electronic structures of known narrow-band and broad-band phosphors. We find that a narrow emission bandwidth is characterized by a large splitting of more than 0.1 eV between the two highest Eu2+ 4f7 bands. By incorporating this descriptor in a high-throughput first-principles screening of 2259 nitride compounds, we identify five promising new nitride hosts for Eu2+-activated red-emitting phosphors that are predicted to exhibit goodmore » chemical stability, thermal quenching resistance, and quantum efficiency, as well as narrow-band emission. Lastly, our findings provide important insights into the emission characteristics of rare-earth activators in phosphor hosts and a general strategy to the discovery of phosphors with a desired emission peak and bandwidth.« less

  4. Nature inspired structured surfaces for biomedical applications.

    PubMed

    Webb, H K; Hasan, J; Truong, V K; Crawford, R J; Ivanova, E P

    2011-01-01

    Nature has created an array of superhydrophobic surfaces that possess water-repellent, self-cleaning and anti-icing properties. These surfaces have a number of potential applications in the biomedical industry, as they have the potential to control protein adsorption and cell adhesion. Natural superhydrophobic surfaces are typically composed of materials with a low intrinsic surface free-energy (e.g the cuticular waxes of lotus leaves and insect wings) with a hierarchical structural configuration. This hierarchical surface topography acts to decrease the contact area of water droplets in contact with the surface, thereby increasing the extent of the air/water interface, resulting in water contact angles greater than 150º. In order to employ these surfaces in biotechnological applications, fabrication techniques must be developed so that these multi-scale surface roughness characteristics can be reproduced. Additionally, these fabrication techniques must also be able to be applied to the material required for the intended application. An overview of some of the superhydrophobic surfaces that exist in nature is presented, together with an explanation of the theories of their wettability. Also included is a description of some of the biomedical applications of superhydrophobic surfaces and fabrication techniques that can be used to mimic superhydrophobic surfaces found in nature.

  5. The origin of electronic band structure anomaly in topological crystalline insulator group-IV tellurides

    NASA Astrophysics Data System (ADS)

    Ye, Zhen-Yu; Deng, Hui-Xiong; Wu, Hui-Zhen; Li, Shu-Shen; Wei, Su-Huai; Luo, Jun-Wei

    2015-11-01

    Group-IV tellurides have exhibited exotic band structures. Specifically, despite the fact that Sn sits between Ge and Pb in the same column of the periodic table, cubic SnTe is a topological crystalline insulator with band inversion, but both isovalent GeTe and PbTe are trivial semiconductors with normal band order. By performing first-principles band structure calculations, we unravel the origin of this abnormal behaviour by using symmetry analysis and the atomic orbital energy levels and atomic sizes of these elements. In group-IV tellurides, the s lone pair band of the group-IV element is allowed by symmetry to couple with the anion valence p band at the L-point, and such s-p coupling leads to the occurrence of bandgap at the L-point. We find that such s-p coupling is so strong in SnTe that it inverts the band order near the bandgap; however, it is not strong enough in both GeTe and PbTe, so they remain normal semiconductors. The reason for this is the incomplete screening of the core of the relatively tight-binding Ge 4s orbital by its 3d orbitals and the large atomic size and strong relativistic effect in Pb, respectively. Interestingly, we also find that the rhombohedral distortion removes the inversion symmetry and the reduced s-p coupling transforms the α-SnTe back to a normal semiconductor. Our study demonstrates that, in addition to spin-orbital coupling, strain and interface dipole fields, inter-orbital coupling is another effective way to engineer the topological insulators.

  6. 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).

  7. Band structure of one-dimensional plasma photonic crystals using the Fresnel coefficients method

    NASA Astrophysics Data System (ADS)

    Jafari, A.; Rahmat, A.

    2017-04-01

    The current study has examined the band structures of two types of photonic crystals (PCs). The first is a one-dimensional metamaterial photonic crystal (1DMMPC) composed of double-layered units for which both layers of each unit are dielectric. The second type is a very similar one-dimensional plasma photonic crystal (1DPPC) also composed of double-layered units in which the first layer is a dielectric material but the second is a plasma layer. This study compares the band structures of the 1DMMPC with specific optical characteristics of the 1DPPC using the Fresnel coefficients method and also compares the results of this method with the results of the transfer matrix method. It is concluded that the dependency of the electric permittivity of the plasma layer on the incident field frequency causes differences in the band structures in 1DMMPC and 1DPPC for both TE and TM polarizations and their gaps reside in different frequencies. The band structures of the 1DMMPC and 1DPPC are confirmed by the results of the transfer matrix method.

  8. Electric polarization and the photogalvanic effect in solids with a topological band structure

    NASA Astrophysics Data System (ADS)

    Fregoso, Benjamin M.

    2015-03-01

    It is known that solids without inversion symmetry can exhibit photogalvanic effects and intrinsic electric polarization, e.g., ferroelectrics. Understanding the relation between the strength of the induced current and the electric polarization has proven challenging. We report on model calculations with topologically non-trivial band structure aimed at quantifying these contributions. Partial support form Conacyt.

  9. Observation of 'Band' Structures in Spacecraft Observations of Inner Magnetosphere Plasma Ions

    NASA Astrophysics Data System (ADS)

    Mohan, Kirthika; Fazakerley, Andrew; Grimald, Sandrine; Dandouras, Iannis; Owen, Chris

    2014-05-01

    In previous studies, several authors have reported inner magnetosphere observations of proton distributions confined to narrow energy bands in the range of 1-25 keV (Smith and Hoffman (1974), etc). These structures have been described as "nose structures", with reference to their appearance in energy-time spectrograms and are also known as "bands" if they occur for extended periods of time. Statistical surveys (Buzulukova et al. (2003); Vallat et al. (2007)) of these features in Interball and Cluster data highlight the presence of single nose in nightside sectors and multi-nose strutures in the dayside sectors. We examine Double-Star TC1 HIA data mainly recorded in the equatorial plane of the inner magnetosphere (L<15) to see how observations of "multi-banded structures" compare to the observations from more inclined orbits of Cluster and Interball. We investigate the properties of these multi-banded structures and carry out a statistical survey analysing them as a function of geomagnetic activity. This is a comparison study to a similar study conducted using DoubleStar TC-1 PEACE electron data.

  10. Band structure of one-dimensional plasma photonic crystals using the Fresnel coefficients method

    NASA Astrophysics Data System (ADS)

    Jafari, A.; Rahmat, A.

    2016-11-01

    The current study has examined the band structures of two types of photonic crystals (PCs). The first is a one-dimensional metamaterial photonic crystal (1DMMPC) composed of double-layered units for which both layers of each unit are dielectric. The second type is a very similar one-dimensional plasma photonic crystal (1DPPC) also composed of double-layered units in which the first layer is a dielectric material but the second is a plasma layer. This study compares the band structures of the 1DMMPC with specific optical characteristics of the 1DPPC using the Fresnel coefficients method and also compares the results of this method with the results of the transfer matrix method. It is concluded that the dependency of the electric permittivity of the plasma layer on the incident field frequency causes differences in the band structures in 1DMMPC and 1DPPC for both TE and TM polarizations and their gaps reside in different frequencies. The band structures of the 1DMMPC and 1DPPC are confirmed by the results of the transfer matrix method.

  11. Band structure of collective modes and effective properties of binary magnonic crystals

    NASA Astrophysics Data System (ADS)

    Zivieri, R.; Malagò, P.; Giovannini, L.

    2014-11-01

    In this paper a theoretical study of the band structure of collective modes of binary ferromagnetic systems formed by a submicrometric periodic array of cylindrical cobalt nanodots partially or completely embedded into a permalloy ferromagnetic film is performed. The binary ferromagnetic systems studied are two-dimensional periodic, but they can be regarded as three-dimensional, since the magnetization is non uniform also along the z direction due to the contrast between the saturation magnetizations of the two ferromagnetic materials along the thickness. The dynamical matrix method, a finite-difference micromagnetic approach, formulated for studying the dynamics in one-component periodic ferromagnetic systems is generalized to ferromagnetic systems composed by F ferromagnetic materials. It is then applied to investigate the spin dynamics in four periodic binary ferromagnetic systems differing each other for the volume of cobalt dots and for the relative position of cobalt dots within the primitive cell. The dispersion curves of the most representative frequency modes are calculated for each system for an in-plane applied magnetic field perpendicular to the Bloch wave vector. The dependence of the dispersion curves on the cobalt quantity and position is discussed in terms of distribution of effective "surface magnetic charges" at the interface between the two ferromagnetic materials. The metamaterial properties in the propagative regime are also studied (1) by introducing an effective magnetization and effective "surface magnetic charges" (2) by describing the metamaterial wave dispersion of the most representative mode in each system within an effective medium approximation and in the dipole-exchange regime. It is also shown that the interchange between cobalt and permalloy does not necessarily lead to an interchange of the corresponding mode dispersion. Analogously to the case of electromagnetic waves in two-dimensional photonic crystals, the degree of

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

    NASA Astrophysics Data System (ADS)

    Lu, Wei-Tao

    2016-08-01

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

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

    PubMed Central

    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

  14. 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.

  15. 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.

  16. Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model

    DOE PAGES

    Yin, Xiangshi; Cooper, Valentino R.; Weitering, Hanno H.; ...

    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

  17. 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.

  18. Investigations on crystalline structure and optical band gap of nearly stoichiometric LiNbO3 nanoparticles

    NASA Astrophysics Data System (ADS)

    Debnath, C.; Kar, S.; Verma, S.; Bartwal, K. S.

    2014-11-01

    The structural and optical characteristics of nearly stoichiometric lithium niobate, LiNbO3 nanoparticles have been studied. The results are very different compared to the bulk LiNbO3 single crystals. The nanoparticles were synthesized by citrate gel method and the phase was confirmed by powder X-ray diffraction. The size and size distribution of the nanoparticles were obtained by XRD, SEM, TEM and DLS experiments. The particles were in the range of 50-200 nm and most of the particles are about 100 nm of size. The lattice parameters obtained from selected area electron diffraction are aH = 5.213 Å and cH = 14.026 Å for hexagonal system which are slightly larger than the other reported values (JCPDS). The optical properties were obtained from optical absorption spectroscopy in UV-vis.-NIR and IR (FTIR) range, the electronic band gap structure were determined from the fundamental absorption edge in the UV region. The indirect band gap was of 4.78 eV where as the direct gap was of 6.0 eV which are much larger than the other experimental values. The absorption features in the UV range indicate the discrete nature of conduction band and the allowed energy levels in the forbidden gap appeared due to surface defects.

  19. Crystal structure of the anion exchanger domain of human erythrocyte band 3.

    PubMed

    Arakawa, Takatoshi; Kobayashi-Yurugi, Takami; Alguel, Yilmaz; Iwanari, Hiroko; Hatae, Hinako; Iwata, Momi; Abe, Yoshito; Hino, Tomoya; Ikeda-Suno, Chiyo; Kuma, Hiroyuki; Kang, Dongchon; Murata, Takeshi; Hamakubo, Takao; Cameron, Alexander D; Kobayashi, Takuya; Hamasaki, Naotaka; Iwata, So

    2015-11-06

    Anion exchanger 1 (AE1), also known as band 3 or SLC4A1, plays a key role in the removal of carbon dioxide from tissues by facilitating the exchange of chloride and bicarbonate across the plasma membrane of erythrocytes. An isoform of AE1 is also present in the kidney. Specific mutations in human AE1 cause several types of hereditary hemolytic anemias and/or distal renal tubular acidosis. Here we report the crystal structure of the band 3 anion exchanger domain (AE1(CTD)) at 3.5 angstroms. The structure is locked in an outward-facing open conformation by an inhibitor. Comparing this structure with a substrate-bound structure of the uracil transporter UraA in an inward-facing conformation allowed us to identify the anion-binding position in the AE1(CTD), and to propose a possible transport mechanism that could explain why selected mutations lead to disease.

  20. 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.

  1. 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.

  2. Spin injection from Fe into Si(001): Ab initio calculations and role of the Si complex band structure

    NASA Astrophysics Data System (ADS)

    Mavropoulos, Phivos

    2008-08-01

    We study the possibility of spin injection from Fe into Si(001), using the Schottky barrier at the Fe/Si contact as tunneling barrier. Our calculations are based on density-functional theory for the description of the electronic structure and on a Landauer-Büttiker approach for the current. The current-carrying states correspond to the six conduction-band minima (pockets) of Si, which, when projected on the (001) surface Brillouin zone (SBZ), form five conductance hot spots: one at the SBZ center and four symmetric satellites. The satellites yield a current polarization of about 50%, while the SBZ center can, under very low gate voltage, yield up to almost 100%, showing a zero-gate anomaly. This extremely high polarization is traced back to the symmetry mismatch of the minority-spin Fe wave functions to the conduction-band wave functions of Si at the SBZ center. The tunneling current is determined by the complex band structure of Si in the [001] direction, which shows qualitative differences compared to that of direct-gap semiconductors. Depending on the Fermi level position and Schottky barrier thickness, the complex band structure can cause the contribution of the satellites to be orders of magnitude higher or lower than the central contribution. Thus, by appropriate tuning of the interface properties, there is a possibility to cut off the satellite contribution and to reach high injection efficiency. Also, we find that a moderate strain of 0.5% along the [001] direction is sufficient to lift the degeneracy of the pockets so that only states at the zone center can carry current.

  3. Real-space finite-difference calculation method of generalized Bloch wave functions and complex band structures with reduced computational cost.

    PubMed

    Tsukamoto, Shigeru; Hirose, Kikuji; Blügel, Stefan

    2014-07-01

    Generalized Bloch wave functions of bulk structures, which are composed of not only propagating waves but also decaying and growing evanescent waves, are known to be essential for defining the open boundary conditions in the calculations of the electronic surface states and scattering wave functions of surface and junction structures. Electronic complex band structures being derived from the generalized Bloch wave functions are also essential for studying bound states of the surface and junction structures, which do not appear in conventional band structures. We present a novel calculation method to obtain the generalized Bloch wave functions of periodic bulk structures by solving a generalized eigenvalue problem, whose dimension is drastically reduced in comparison with the conventional generalized eigenvalue problem derived by Fujimoto and Hirose [Phys. Rev. B 67, 195315 (2003)]. The generalized eigenvalue problem derived in this work is even mathematically equivalent to the conventional one, and, thus, we reduce computational cost for solving the eigenvalue problem considerably without any approximation and losing the strictness of the formulations. To exhibit the performance of the present method, we demonstrate practical calculations of electronic complex band structures and electron transport properties of Al and Cu nanoscale systems. Moreover, employing atom-structured electrodes and jellium-approximated ones for both of the Al and Si monatomic chains, we investigate how much the electron transport properties are unphysically affected by the jellium parts.

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

    SciTech Connect

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

    2009-07-15

    The electronic structures of six ternary metal oxides containing isolated vanadate ions, Ba{sub 3}(VO{sub 4}){sub 2}, Pb{sub 3}(VO{sub 4}){sub 2}, YVO{sub 4}, BiVO{sub 4}, CeVO{sub 4} and Ag{sub 3}VO{sub 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{sub 3}(VO{sub 4}){sub 2} and YVO{sub 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{sub 3}(VO{sub 4}){sub 2} and BiVO{sub 4} the band gap is reduced by 0.9-1.0 eV through interactions of (a) the filled cation 6s orbitals with nonbonding O 2p states at the top of the valence band, and (b) overlap of empty 6p orbitals with antibonding V 3d-O 2p states at the bottom of the conduction band. In Ag{sub 3}VO{sub 4} mixing between filled Ag 4d and O 2p states destabilizes states at the top of the valence band leading to a large decrease in the band gap (E{sub g}=2.2 eV). In CeVO{sub 4} excitations from partially filled 4f orbitals into the conduction band lower the effective band gap to 1.8 eV. In the Ce{sub 1-x}Bi{sub x}VO{sub 4} (0<=x<=0.5) and Ce{sub 1-x}Y{sub x}VO{sub 4} (x=0.1, 0.2) solid solutions the band gap narrows slightly when Bi{sup 3+} or Y{sup 3+} are introduced. The nonlinear response of the band gap to changes in composition is a result of the localized nature of the Ce 4f orbitals. - Graphical abstract: The electronic structures of six vanadate salts, Ba{sub 3}(VO{sub 4}){sub 2}, Pb{sub 3}(VO{sub 4}){sub 2}, YVO{sub 4}, BiVO{sub 4}, Ag{sub 3}VO{sub 4} and CeVO{sub 4}, are studied. The results show that the oxygen to vanadium charge transfer, which is largely responsible for the

  5. 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.

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

    NASA Astrophysics Data System (ADS)

    Kumar, Amit; Singh, Suram; Bharti, Arun

    2015-08-01

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

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

    NASA Astrophysics Data System (ADS)

    Narimani, M.; Nourbakhsh, Z.

    2016-05-01

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

  8. 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

    2016-04-04

    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.

  9. Wide-band/angle Blazed Surfaces using Multiple Coupled Blazing Resonances

    PubMed Central

    Memarian, Mohammad; Li, Xiaoqiang; Morimoto, Yasuo; Itoh, Tatsuo

    2017-01-01

    Blazed gratings can reflect an oblique incident wave back in the path of incidence, unlike mirrors and metal plates that only reflect specular waves. Perfect blazing (and zero specular scattering) is a type of Wood’s anomaly that has been observed when a resonance condition occurs in the unit-cell of the blazed grating. Such elusive anomalies have been studied thus far as individual perfect blazing points. In this work, we present reflective blazed surfaces that, by design, have multiple coupled blazing resonances per cell. This enables an unprecedented way of tailoring the blazing operation, for widening and/or controlling of blazing bandwidth and incident angle range of operation. The surface can thus achieve blazing at multiple wavelengths, each corresponding to different incident wavenumbers. The multiple blazing resonances are combined similar to the case of coupled resonator filters, forming a blazing passband between the incident wave and the first grating order. Blazed gratings with single and multi-pole blazing passbands are fabricated and measured showing increase in the bandwidth of blazing/specular-reflection-rejection, demonstrated here at X-band for convenience. If translated to appropriate frequencies, such technique can impact various applications such as Littrow cavities and lasers, spectroscopy, radar, and frequency scanned antenna reflectors. PMID:28211506

  10. Wide-band/angle Blazed Surfaces using Multiple Coupled Blazing Resonances

    NASA Astrophysics Data System (ADS)

    Memarian, Mohammad; Li, Xiaoqiang; Morimoto, Yasuo; Itoh, Tatsuo

    2017-02-01

    Blazed gratings can reflect an oblique incident wave back in the path of incidence, unlike mirrors and metal plates that only reflect specular waves. Perfect blazing (and zero specular scattering) is a type of Wood’s anomaly that has been observed when a resonance condition occurs in the unit-cell of the blazed grating. Such elusive anomalies have been studied thus far as individual perfect blazing points. In this work, we present reflective blazed surfaces that, by design, have multiple coupled blazing resonances per cell. This enables an unprecedented way of tailoring the blazing operation, for widening and/or controlling of blazing bandwidth and incident angle range of operation. The surface can thus achieve blazing at multiple wavelengths, each corresponding to different incident wavenumbers. The multiple blazing resonances are combined similar to the case of coupled resonator filters, forming a blazing passband between the incident wave and the first grating order. Blazed gratings with single and multi-pole blazing passbands are fabricated and measured showing increase in the bandwidth of blazing/specular-reflection-rejection, demonstrated here at X-band for convenience. If translated to appropriate frequencies, such technique can impact various applications such as Littrow cavities and lasers, spectroscopy, radar, and frequency scanned antenna reflectors.

  11. Electronic band structure effects in the stopping of protons in copper

    NASA Astrophysics Data System (ADS)

    Quashie, Edwin E.; Saha, Bidhan C.; Correa, Alfredo A.

    2016-10-01

    We present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities v =0.02 -10 a .u . where we take into account nonlinear effects. Time-dependent density functional theory coupled with molecular dynamics is used to study electronic excitations produced by energetic protons. A plane-wave pseudopotential scheme is employed to solve the time-dependent Kohn-Sham equations for a moving ion in a periodic crystal. The electronic excitations and the band structure determine the stopping power of the material and alter the interatomic forces for both channeling and off-channeling trajectories. Our off-channeling results are in quantitative agreement with experiments, and at low velocity they unveil a crossover region of superlinear velocity dependence (with a power of ˜1.5 ) in the velocity range v =0.07 -0.3 a .u . , which we associate to the copper crystalline electronic band structure. The results are rationalized by simple band models connecting two separate regimes. We find that the limit of electronic stopping v →0 is not as simple as phenomenological models suggest and it is plagued by band-structure effects.

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

    PubMed

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

    2016-10-01

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

  13. Disorder effects on the band structure of ZnGeN2: Role of exchange defects

    NASA Astrophysics Data System (ADS)

    Skachkov, Dmitry; Quayle, Paul C.; Kash, Kathleen; Lambrecht, Walter R. L.

    2016-11-01

    The role of exchange defects on the band structure of ZnGeN2 is investigated. Exchange defects are defined through the exchange of cations Zn and Ge starting from the ideal P n a 21 crystal structure, which obeys the local octet rule. Each such exchange creates several nitrogen-centered tetrahedra which violate the local octet rule, although overall charge neutrality is preserved. We study several distributions of exchange defects, some with all antisites making up the exchange defect close to each other and with increasing numbers of exchange defects, and others where the two types of antisites ZnGe and GeZn are kept separated from each other. We also compare the results for these models with a fully random distribution of Zn and Ge on the cation sites. We show that for a single-nearest-neighbor exchange defect, the band gap is narrowed by about 0.5 eV due to two effects: (1) the ZnGe antisites form filled acceptor states just above and merging with the valence-band maximum (VBM) of perfect crystal ZnGeN2 and (2) the GeZn antisites form a resonance in the conduction band which lowers the conduction-band minimum (CBM). When more exchange defects are created, these acceptor states broaden into bands which can lower the gap further. When tetrahedra occur surrounded completely by four Zn atoms, states even deeper in the gap are found localized all near these tetrahedra, forming a separate intermediate band. Finally, for phase-segregated ZnGe and GeZn, the gap is significantly more reduced, but no separate band is found to occur. The ZnGe acceptorlike states now form a percolating defect band which is significantly wider and hence reaches deeper into the gap. In all cases, the wave functions near the top of the new VBM remain, to some extent, localized near the ZnGe sites. For a fully random case, the gap is even more severely reduced by almost 3 eV. The total energy of the system increases with the number of octet-rule-violating tetrahedra and the energy cost per

  14. Surface structure of novel semimetal WTe2

    NASA Astrophysics Data System (ADS)

    Kawahara, Kazuaki; Ni, Zeyuan; Arafune, Ryuichi; Shirasawa, Tetsuroh; Lin, Chun-Liang; Minamitani, Emi; Watanabe, Satoshi; Kawai, Maki; Takagi, Noriaki

    2017-04-01

    We investigate the atomic structure of the tungsten ditelluride (WTe2) surface by using low-energy electron diffraction (LEED), scanning tunneling microscopy, and density functional theory (DFT) calculations. From the LEED and DFT analyses, we find small but non-negligible surface relaxation that gradually decays in an oscillatory manner inside the first WTe2 layer. In addition, the DFT calculations reveal that the Fermi surface topology is sensitive to this relaxation. These results are helpful for understanding the exotic properties of WTe2.

  15. 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.

  16. Band structures of two dimensional solid/air hierarchical phononic crystals

    NASA Astrophysics Data System (ADS)

    Xu, Y. L.; Tian, X. G.; Chen, C. Q.

    2012-06-01

    The hierarchical phononic crystals to be considered show a two-order “hierarchical” feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.

  17. High-throughput combinatorial database of electronic band structures for inorganic scintillator materials.

    PubMed

    Setyawan, Wahyu; Gaume, Romain M; Lam, Stephanie; Feigelson, Robert S; Curtarolo, Stefano

    2011-07-11

    For the purpose of creating a database of electronic structures of all the known inorganic compounds, we have developed a computational framework based on high-throughput ab initio calculations (AFLOW) and an online repository (www.aflowlib.org). In this article, we report the first step of this task: the calculation of band structures for 7439 compounds intended for the research of scintillator materials for γ-ray radiation detection. Data-mining is performed to select the candidates from 193,456 compounds compiled in the Inorganic Crystal Structure Database. Light yield and scintillation nonproportionality are predicted based on semiempirical band gaps and effective masses. We present a list of materials, potentially bright and proportional, and focus on those exhibiting small effective masses and effective mass ratios.

  18. Band like Electronic Structures in Square Hollow Quantum Dots by 3D-MHFKS Calculation

    NASA Astrophysics Data System (ADS)

    Takizawa, Tokihiro; Okada, Hoshihito; Matsuse, Takehiro

    To find novel aspects of the electronic structures in quantum dots (QD) from a view point of spatial broken symmetry, 3-dimensional-mesh Hartree-Fock-Kohn-Sham (3D-MHFKS) calculations1 are applied to the interacting electron system of electron number N in a symmetry broken hollow QD. For the case of a square hollow quantum dot confined in square hard wall (HW) potential (SSHQD), the magnetic (B) field dependence of the obtained single particle energy levels and chemical potentials in B-N diagram are shown to have a band like electronic structures over the wide B-field range up to 20T. To clarify the origin of the band like electronic structures in SSHQD, 3D-MHFKS calculations are also applied for the mixed symmetry QD's with a circular hollow in square HW potential (SCHQD) and with a square hollow in circular HW potential (CSHQD).

  19. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

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

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

    SciTech Connect

    Eppley, K.R.

    1994-10-01

    We have developed algorithms for designing disk-loaded travelling-wave output structures for X-band klystrons to be used in the SLAC NLC. We use either a four- or five-cell structure in a {pi}/2 mode. The disk radii are tapered to produce an approximately constant gradient. The matching calculation is not performed on the tapered structure, but rather on a coupler whose input and output cells are the same as the final cell of the tapered structure, and whose interior cells are the same as the penultimate cell in the tapered structure. 2-D calculations using CONDOR model the waveguide as a radial transmission line of adjustable impedance. 3-D calculations with MAFIA model the actual rectangular waveguide and coupling slot. A good match is obtained by adjusting the impedance of the final cell. In 3D, this requires varying both the radius of the cell and the width of the aperture. When the output cell with the best match is inserted in the tapered structure, we obtain excellent cold-test agreement between the 2-D and 3-D models. We use hot-test simulations with CONDOR to design a structure with maximum efficiency and minimum surface fields. We have designed circuits at 11.424 GHz for different perveances. At 440 kV, microperveance 1.2, we calculated 81 MW, 53 percent efficiency, with peak surface field 76 MV/m. A microperveance 0.6 design was done using a ppM stack for focusing. At 470 kV, 193 amps, we calculated 58.7 MW, 64.7 percent efficiency, peak surface field 62.3 MV/m. At 500 kV, 212 amps, we calculated 67.1 MW, 63.3 percent efficiency, peak surface field 66.0 MV/m.

  2. 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.

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

    NASA Astrophysics Data System (ADS)

    Pandiyan, Rajesh; Oulad Elhmaidi, Zakaria; Sekkat, Zouheir; Abd-lefdil, Mohammed; El Khakani, My Ali

    2017-02-01

    We report here on the use of pulsed KrF-laser deposition (PLD) technique for the growth of high-quality Cu2ZnSnS4 (CZTS) thin films onto Si, and glass substrates without resorting to any post sulfurization process. The PLD-CZTS films were deposited at room temperature (RT) and then subjected to post annealing at different temperatures ranging from 200 to 500 °C in Argon atmosphere. The X-ray diffraction and Raman spectroscopy confirmed that the PLD films crystallize in the characteristic kesterite CZTS structure regardless of their annealing temperature (Ta), but their crystallinity is much improved for Ta ≥ 400 °C. The PLD-CZTS films were found to exhibit a relatively dense morphology with a surface roughness (RMS) that increases with Ta (from ∼14 nm at RT to 70 nm at Ta = 500 °C with a value around 40 nm for Ta = 300-400 °C). The optical bandgap of the PLD-CZTS films, was derived from UV-vis transmission spectra analysis, and found to decrease from 1.73 eV for non-annealed films to ∼1.58 eV for those annealed at Ta = 300 °C. These band gap values are very close to the optimum value needed for an ideal solar cell absorber. In order to achieve a complete reconstruction of the one-dimensional energy band structure of these PLD-CZTS absorbers, we have combined both XPS and UPS spectroscopies to determine their chemical bondings, the position of their valence band maximum (relative to Fermi level), and their work function values. This enabled us to sketch out, as accurately as possible, the band alignment of the heterojunction interface formed between CZTS and both CdS and ZnS buffer layer materials.

  4. 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

  5. Banded Structures in Electron Pitch Angle Diffusion Coefficients from Resonant Wave Particle Interactions

    NASA Technical Reports Server (NTRS)

    Tripathi, A. K.; Singhal, R. P.; Khazanov, G. V.; Avanov, L. A.

    2016-01-01

    Electron pitch angle (D (alpha)) and momentum (D(pp)) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L = 4.6 and 6.8 for electron energies 10 keV. Landau (n = 0) resonance and cyclotron harmonic resonances n = +/-1, +/-2,...+/-5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (alpha) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n = +1 and n = +2. A major contribution to momentum diffusion coefficients appears from n = +2. However, the banded structures in D alpha 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 D alpha coefficients. For chorus waves, Dpp coefficients are about an order of magnitude smaller than D alpha coefficients for the case n does not = 0. In case of Landau resonance, the values of Dpp coefficient are generally larger than the values of D alpha 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 deg and harmonic resonances n = +1, +2, and +3, whereas for whistler mode waves, the frequencies have been calculated for angle

  6. Implications of Relativistic Configurations and Band Structures in the Physics of Bio-Molecules and Solids

    NASA Astrophysics Data System (ADS)

    Islam, M. Fhokrul; Bohr, Henrik G.; Malik, F. B.

    2009-12-01

    Beyond the second row of elements in the Mendeleev periodic table, the consideration of the relativistic effect is important in determining proper configurations of atoms and ions, in many cases. Many important quantities of interest in determining physical and chemical properties of matter, such as the effective charge, root mean square radii, and higher moments of radii used in many calculations, e.g. in the determinations of legend stabilization bond energies depend on whether the treatment is relativistic or not. In general, these quantities for a given l-orbital having two different j-values, e.g. d2/3 and d5/2, differ from each other, hence, making it necessary to treat them as separate orbitals. This also necessitates characterizing bands with their j-values in many instants and not l-values, particularly for "d" and f-orbitals. For example, in Au, 5d3/2 and 5d5/2 are to be dealt with as two distinct bands. The observed enhancement of laser induced field emission in W, which is not understood in terms of non-relativistic band-structures, can be explained in terms of the expected relativistic band structure. Spin-orbit coupling, which is the manifestation of the relativistic effect, is a prime factor in facilitating intersystem crossing in bio-molecules.

  7. Implications of Relativistic Configurations and Band Structures in the Physics of Bio-Molecules and Solids

    NASA Astrophysics Data System (ADS)

    Fhokrul Islam, M.; Bohr, Henrik G.; Malik, F. B.

    Beyond the second row of elements in the Mendeleev periodic table, the consideration of the relativistic effect is important in determining proper configurations of atoms and ions, in many cases. Many important quantities of interest in determining physical and chemical properties of matter, such as the effective charge, root mean square radii, and higher moments of radii used in many calculations, e.g. in the determinations of legend stabilization bond energies depend on whether the treatment is relativistic or not. In general, these quantities for a given l-orbital having two different j-values, e.g. d3/2 and d5/2, differ from each other, hence, making it necessary to treat them as separate orbitals. This also necessitates characterizing bands with their j-values in many instants and not l-values, particularly for "d" and f-orbitals. For example, in Au, 5d3/2 and 5d5/2 are to be dealt with as two distinct bands. The observed enhancement of laser induced field emission in W, which is not understood in terms of non-relativistic band-structures, can be explained in terms of the expected relativistic band structure. Spin-orbit coupling, which is the manifestation of the relativistic effect, is a prime factor in facilitating intersystem crossing in bio-molecules.

  8. Strain effect on graphene nanoribbon carrier statistic in the presence of non-parabolic band structure

    NASA Astrophysics Data System (ADS)

    Izuani Che Rosid, N. A.; Ahmadi, M. T.; Ismail, Razali

    2016-09-01

    The effect of tensile uniaxial strain on the non-parabolic electronic band structure of armchair graphene nanoribbon (AGNR) is investigated. In addition, the density of states and the carrier statistic based on the tight-binding Hamiltonian are modeled analytically. It is found that the property of AGNR in the non-parabolic band region is varied by the strain. The tunable energy band gap in AGNR upon strain at the minimum energy is described for each of n-AGNR families in the non-parabolic approximation. The behavior of AGNR in the presence of strain is attributed to the breakable AGNR electronic band structure, which varies the physical properties from its normality. The linear relation between the energy gap and the electrical properties is featured to further explain the characteristic of the deformed AGNR upon strain. Project supported by the Ministry of Higher Education (MOHE), Malaysia under the Fundamental Research Grant Scheme (FRGS) (Grant No.Q.J130000.7823.4F477). We also thank the Research Management Center (RMC) of Universiti Teknologi Malaysia (UTM) for providing an excellent research environment.

  9. Chromosome banding and gene localizations support extensive conservation of chromosome structure between cattle and sheep.

    PubMed

    Hediger, R; Ansari, H A; Stranzinger, G F

    1991-01-01

    By using three gene probes, one derived from the porcine major histocompatibility complex (MHC) and two from bovine cytokeratin genes, type I (KRTA) and type II (KRTB), the hypothesis of conservation of genome structure in two members of the family Bovidae was examined. Gene mapping data revealed the MHC to be in chromosome region 23q15----q23 in cattle (BOLA) and 20q15----q23 in sheep (OLA). KRTA was localized to chromosome region 19q25----q29 in cattle and 11q25----q29 in sheep and KRTB to 5q14----q22 in cattle and 3q14----q22 in sheep. The banding patterns of the chromosome arms to which the loci were assigned were identical in both species. Moreover, the resemblances of GTG- or QFQ-banding patterns between the cattle and sheep karyotypes illustrated further chromosome homologies. These studies, based on gene mapping comparisons and comparative cytogenetics, document that within bovid chromosomes, homology of banding patterns corresponds to a homologous genetic structure. Hence, we propose that gene assignments on identified chromosomal segments in one species of the Bovidae can be extrapolated, in general, to other bovid species based on the banding homologies presented here.

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

    PubMed

    Szczęśniak, Dominik; Ennaoui, Ahmed; Ahzi, Saïd

    2016-09-07

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

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

    NASA Astrophysics Data System (ADS)

    Szczęśniak, Dominik; Ennaoui, Ahmed; Ahzi, Saïd

    2016-09-01

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

  12. Planetary surface structure and evolution of Mars

    NASA Technical Reports Server (NTRS)

    Franck, Siegfried

    1991-01-01

    The surface of the planet Mars is characterized by two different hemispheres: old densely cratered structures in the Southern Uplands, and sparsely cratered younger topographically lower regions covering approximately the northern third of the planet's surface. The model for explaining these global surface structures is characterized by the following features: (1) homogeneous accretion of Mars; (2) formation of a metal melt layer; (3) northward translation of the undifferentiated core due to a Rayleigh-Taylor instability; (4) vigorous convection in the southern parts and formation of the Southern Uplands' crust; (5) fragmentation of the primordial core, slowly dissolving rockbergs, beginning of Tharsis uplift and volcanism; (6) formation of the Northern Lowlands' crust from only weakly differentiated silicatic material; and (7) reaching of the present state with symmetrically placed core and further thermal evolution.

  13. Structural vs electronic origin of renormalized band widths in TTF-TCNQ: An angular dependent NEXAFS study

    NASA Astrophysics Data System (ADS)

    Sing, M.; Meyer, J.; Hoinkis, M.; Glawion, S.; Blaha, P.; Gavrila, G.; Jacobsen, C. S.; Claessen, R.

    2007-12-01

    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.

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

    SciTech Connect

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

    2011-01-15

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

  15. Alternative structure of TiO2 with higher energy valence band edge

    NASA Astrophysics Data System (ADS)

    Coh, Sinisa; Yu, Peter Y.; Aoki, Yuta; Saito, Susumu; Louie, Steven G.; Cohen, Marvin L.

    2017-02-01

    We propose an alternative structure of TiO2 anatase that has a higher energy oxygen p -like valence band maximum than pristine TiO2 anatase and thus has a much better alignment with the water splitting levels. This alternative structure is unique when considering a large subspace of possible structural distortions of TiO2 anatase. We propose two routes towards this state and argue that one of them might have been realized in the recently discovered so-called black TiO2.

  16. Band-edge engineering of Silicon by Surface Functionalization: a Combined Ab-initio and Photoemission Study

    NASA Astrophysics Data System (ADS)

    Li, Yan; O'Leary, Leslie; Lewis, Nathan; Galli, Giulia

    2012-02-01

    The electrode material choice is limited in solar to fuel formation devices because of the requirement of band-edge matching to the fixed fuel formation potential. This limitation can be relieved via band-edge engineering. The changes of band-edge positions of Si electrodes induced by the adsorption of H-, Cl-, Br- and short-chain alkyl groups were investigated by combining density functional (DFT), many-body perturbation theory (MBPT), and ultraviolet photoelectron spectroscopy. The band edge shifts are related to the formation of surface dipole moments, and determine the barrier height of electrons and holes in doped silicon surfaces. We find that the trends of the sign and magnitude of the computed surface dipoles as a function of the adsorbate may be explained by simple electronegative rules. We show that quasi-particle energies obtained within MBPT are in good agreement with experiment, while DFT values may exhibit substantial errors. However computed band edge differences are in good agreement with spectroscopic and electrical measurements even at the DFT level of theory. [1] Y. Li and G. Galli, Phys. Rev. B 82, 045321 (2010). [2] Y. Li, L. O'Leary, N. Lewis and G. Galli, to be submitted.

  17. Precisely determined the surface displacement by the ionospheric mitigation using the L-band SAR Interferometry over Mt.Baekdu

    NASA Astrophysics Data System (ADS)

    Lee, Won-Jin; Jung, Hyung-Sup; Park, Sun-Cheon; Lee, Duk Kee

    2016-04-01

    Mt. Baekdu (Changbaishan in Chinese) is located on the border between China and North Korea. It has recently attracted the attention of volcanic unrest during 2002-2005. Many researchers have applied geophysical approaches to detect magma system of beneath Mt.Baekdu such as leveling, Global Positioning System (GPS), gases analysis, seismic analysis, etc. Among them, deformation measuring instruments are important tool to evaluate for volcanism. In contrast to GPS or other deformation measuring instruments, Synthetic Aperture Radar Interferometry (InSAR) has provided high resolution of 2-D surface displacement from remote sensed data. However, Mt. Baekdu area has disturbed by decorrelation on interferogram because of wide vegetation coverage. To overcome this limitation, L-band system of long wavelength is more effective to detect surface deformation. In spite of this advantage, L-band can surfer from more severe ionospheric phase distortions than X- or C- band system because ionospheric phase distortions are inverse proportion to the radar frequency. Recently, Multiple Aperture Interferometry (MAI) based ionospheric phase distortions mitigation method have proposed and investigated. We have applied this technique to the Mt.Baekdu area to measure surface deformation precisely using L-band Advanced Land Observing Satellite-1(ALOS-1) Phased Array type L-band Synthetic Aperture Radar(PALSAR) data acquiring from 2006 to 2011.

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

    PubMed

    Pajic-Lijakovic, Ivana

    2015-12-01

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

  19. Pool Boiling Heat Transfer on structured Surfaces

    NASA Astrophysics Data System (ADS)

    Addy, J.; Olbricht, M.; Müller, B.; Luke, A.

    2016-09-01

    The development in the process and energy sector shows the importance of efficient utilization of available resources to improve thermal devices. To achieve this goal, all thermal components have to be optimized continuously. Various applications of multi-phase heat and mass transfer have to be improved. Therefore, the heat transfer and the influence of surface roughness in nucleate boiling with the working fluid propane is experimentally investigated on structured mild steel tubes, because only few data are available in the literature. The mild steel tube is sandblasted to obtain different surface roughness. The measurements are carried out over wide ranges of heat flux and pressure. The experimental results are compared with correlations from literature and the effect of surface roughness on the heat transfer is discussed. It is shown that the heat transfer coefficient increases with increasing surface roughness, heat flux and reduced pressure at nucleate pool boiling.

  20. Specialized cell surface structures in cellulolytic bacteria.

    PubMed

    Lamed, R; Naimark, J; Morgenstern, E; Bayer, E A

    1987-08-01

    The cell surface topology of various gram-negative and -positive, anaerobic and aerobic, mesophilic and thermophilic, cellulolytic and noncellulolytic bacteria was investigated by scanning electron microscopic visualization using cationized ferritin. Characteristic protuberant structures were observed on cells of all cellulolytic strains. These structures appeared to be directly related to the previously described exocellular cellulase-containing polycellulosomes of Clostridium thermocellum YS (E. A. Bayer and R. Lamed, J. Bacteriol. 167:828-836, 1986). Immunochemical evidence and lectin-binding studies suggested a further correlation on the molecular level among cellulolytic bacteria. The results indicate that such cell surface cellulase-containing structures may be of general consequence to the bacterial interaction with and degradation of cellulose.

  1. Specialized cell surface structures in cellulolytic bacteria.

    PubMed Central

    Lamed, R; Naimark, J; Morgenstern, E; Bayer, E A

    1987-01-01

    The cell surface topology of various gram-negative and -positive, anaerobic and aerobic, mesophilic and thermophilic, cellulolytic and noncellulolytic bacteria was investigated by scanning electron microscopic visualization using cationized ferritin. Characteristic protuberant structures were observed on cells of all cellulolytic strains. These structures appeared to be directly related to the previously described exocellular cellulase-containing polycellulosomes of Clostridium thermocellum YS (E. A. Bayer and R. Lamed, J. Bacteriol. 167:828-836, 1986). Immunochemical evidence and lectin-binding studies suggested a further correlation on the molecular level among cellulolytic bacteria. The results indicate that such cell surface cellulase-containing structures may be of general consequence to the bacterial interaction with and degradation of cellulose. Images PMID:3301817

  2. 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.

  3. Structural phase transition in IrTe2: A combined study of optical spectroscopy and band structure calculations

    PubMed Central

    Fang, A. F.; Xu, G.; Dong, T.; Zheng, P.; Wang, N. L.

    2013-01-01

    Ir1−xPtxTe2 is an interesting system showing competing phenomenon between structural instability and superconductivity. Due to the large atomic numbers of Ir and Te, the spin-orbital coupling is expected to be strong in the system which may lead to nonconventional superconductivity. We grew single crystal samples of this system and investigated their electronic properties. In particular, we performed optical spectroscopic measurements, in combination with density function calculations, on the undoped compound IrTe2 in an effort to elucidate the origin of the structural phase transition at 280 K. The measurement revealed a dramatic reconstruction of band structure and a significant reduction of conducting carriers below the phase transition. We elaborate that the transition is not driven by the density wave type instability but caused by the crystal field effect which further splits/separates the energy levels of Te (px, py) and Te pz bands. PMID:23362455

  4. Creating a Multiband Perfect Metamaterial Absorber at K Frequency Band Using Defects in the Structure

    NASA Astrophysics Data System (ADS)

    Tran, Manh Cuong; Nguyen, Thi Thuy; Ho, Tuan Hung; Do, Hoang Tung

    2017-01-01

    We present a simple method to achieve a multiband perfect metamaterial absorber for use in the K band by applying defects to the absorber structure. Open boundary conditions with an excitation port are used for simulation of the whole considered structure. A defect was then introduced into the structure to obtain multiband absorption. Two perfect absorption peaks were observed at 19.8 GHz and 23.1 GHz for the structure with a defect of 2 × 2 unit cells. The multiple resonance frequencies could be tuned by varying the defect dimensions. In addition, it was found that the absorber structure is insensitive to the polarization angle of the incident electromagnetic wave over a wide range due to the symmetry of the configuration. This represents a simpler method to create a multifrequency absorber compared with previous works. To the best of our knowledge, this is the first study considering the influence of structural defects on the absorption frequencies of a metamaterial absorber.

  5. Impact of the Electronic Band Structure in High-Harmonic Generation Spectra of Solids.

    PubMed

    Tancogne-Dejean, Nicolas; Mücke, Oliver D; Kärtner, Franz X; Rubio, Angel

    2017-02-24

    An accurate analytic model describing the microscopic mechanism of high-harmonic generation (HHG) in solids is derived. Extensive first-principles simulations within a time-dependent density-functional framework corroborate the conclusions of the model. Our results reveal that (i) the emitted HHG spectra are highly anisotropic and laser-polarization dependent even for cubic crystals; (ii) the harmonic emission is enhanced by the inhomogeneity of the electron-nuclei potential; the yield is increased for heavier atoms; and (iii) the cutoff photon energy is driver-wavelength independent. Moreover, we show that it is possible to predict the laser polarization for optimal HHG in bulk crystals solely from the knowledge of their electronic band structure. Our results pave the way to better control and optimize HHG in solids by engineering their band structure.

  6. Impact of the Electronic Band Structure in High-Harmonic Generation Spectra of Solids

    NASA Astrophysics Data System (ADS)

    Tancogne-Dejean, Nicolas; Mücke, Oliver D.; Kärtner, Franz X.; Rubio, Angel

    2017-02-01

    An accurate analytic model describing the microscopic mechanism of high-harmonic generation (HHG) in solids is derived. Extensive first-principles simulations within a time-dependent density-functional framework corroborate the conclusions of the model. Our results reveal that (i) the emitted HHG spectra are highly anisotropic and laser-polarization dependent even for cubic crystals; (ii) the harmonic emission is enhanced by the inhomogeneity of the electron-nuclei potential; the yield is increased for heavier atoms; and (iii) the cutoff photon energy is driver-wavelength independent. Moreover, we show that it is possible to predict the laser polarization for optimal HHG in bulk crystals solely from the knowledge of their electronic band structure. Our results pave the way to better control and optimize HHG in solids by engineering their band structure.

  7. Efficient quasiparticle band-structure calculations for cubic and noncubic crystals

    SciTech Connect

    Wenzien, B.; Cappellini, G.; Bechstedt, F.

    1995-05-15

    An efficient method developed for the calculation of quasiparticle corrections to density-functional-theory--local-density-approximation (DFT-LDA) band structures of diamond and zinc-blende materials is generalized for crystals with other cubic, hexagonal, tetragonal, and orthorhombic Bravais lattices. Local-field effects are considered in the framework of a LDA-like approximation. The dynamical screening is treated by expanding the self-energy linearly in energy. The anisotropy of the inverse dielectric matrix is taken into account. The singularity of the Coulomb potential in the screened-exchange part of the electronic self-energy is treated using auxiliary functions of the appropriate symmetry. An application to the electronic quasiparticle band structure of wurtzite 2{ital H}-SiC is presented within the approach of norm-conserving, nonlocal, fully separable pseudopotentials and a plane-wave expansion of the wave functions for the underlying DFT-LDA.

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

    NASA Astrophysics Data System (ADS)

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

    2010-12-01

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

  9. 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.

  10. Analysis of strategies to improve the directionality of square lattice band-edge photonic crystal structures.

    PubMed

    Hattori, Haroldo T; Schneider, Vitor M; Cazo, Rogério M; Barbosa, Carmem L

    2005-05-20

    Recently, photonic crystal band-edge structures have been analyzed in the literature. However, most devices that have been presented so far emit light in different directions. We present a modal analysis (no gain included) of a few schemes to improve the directionality of these devices, i.e., in such a way that light that exits from them will travel mainly in a certain direction, eventually coupling its energy to a wide waveguide.

  11. Extracting band structure characteristics of GaSb/InAs core-shell nanowires from thermoelectric properties

    NASA Astrophysics Data System (ADS)

    Viñas, Florinda; Xu, H. Q.; Leijnse, Martin

    2017-03-01

    Nanowires with a GaSb core and an InAs shell (and the inverted structure) are interesting for studies of electron-hole hybridization and interaction effects due to the bulk broken band-gap alignment at the material interface. We have used eight-band k .p theory together with the envelope function approximation to calculate the band structure of such nanowires. For a fixed core radius, as a function of shell thickness the band structure changes from metallic (for a thick shell) to semiconducting (for a thin shell) with a gap induced by quantum confinement. For intermediate shell thickness, a different gapped band structure can appear, where the gap is induced by hybridization between the valence band in GaSb and the conduction band in InAs. To establish a relationship between the nanowire band structures and signatures in thermoelectrical measurements, we use the calculated energy dispersions as input to the Boltzmann equation and to ballistic transport equations to study the diffusive limit and the ballistic limit, respectively. Our theoretical results provide a guide for experiments, showing how thermoelectric measurements in a gated setup can be used to distinguish between different types of band gaps, or tune the system into a regime with few electrons and few holes, which can be of interest for studies of exciton physics.

  12. Structural Biomass Estimation from L-band Interferometric SAR and Lidar

    NASA Astrophysics Data System (ADS)

    Treuhaft, R. N.; Chapman, B. D.; Goncalves, F.; Hensley, S.; dos Santos, J. R.; Graca, P. A.; Dutra, L.

    2011-12-01

    After a review of biomass estimation from interferometric SAR (InSAR) at all bands over the last 15 years, and a brief review of lidar biomass estimation, this paper discusses structure and biomass estimation from simultaneously acquired (not repeat-track) InSAR at L-band. We will briefly discuss the history of regression of biomass to InSAR raw observations (coherence and phase) and structural parameters (height, standard deviation, Fourier component). Lidar biomass estimation from functions of the waveform will be discussed. We review our structural and biomass estimation results for C-band InSAR at vertical polarization for 12-14 baselines in La Selva Biological Station, Costa Rica. C-band vertical scales were between 12 and 100 m for structure estimation, but only between 50 and 100 m for biomass estimation, due to phase calibration problems at the shorter vertical wavelengths (larger baselines). Most of the talk will be spent on L-band, simultaneously acquired multibaseline InSAR, also at La Selva, acquired at vertical polarization. Because the vertical interferometric scale is proportional to the radar altitude times the wavelength over the baseline length, the AirSAR aircraft had to be flown very low (1.2 km) to realize vertical scales at L-band of 60 m and higher. Our lidar biomass estimation suggests that vertical scales of 14 m-100 m are optimal for biomass estimation. We will try three different approaches to biomass estimation with the limited high vertical scales we have available: 1) We will regress biomass to Fourier transforms as in the C-band and lidar study, but with 60 m - 100+ m vertical scales we do not expect accuracies to be as high as for the lidar demonstration (58 Mg/ha RMS scatter of estimated about field biomass for biomasses up to 450 Mg/ha), which used Fourier vertical wavelengths of 15 m-20 m. In addition to using Fourier components, 2) we will report the use of the derivative of the InSAR complex coherence with respect to Fourier

  13. Deformation behavior of metallic glasses with shear band like atomic structure: a molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Zhong, C.; Zhang, H.; Cao, Q. P.; Wang, X. D.; Zhang, D. X.; Ramamurty, U.; Jiang, J. Z.

    2016-08-01

    Molecular dynamics simulations were employed to investigate the plastic deformation within the shear bands in three different metallic glasses (MGs). To mimic shear bands, MG specimens were first deformed until flow localization occurs, and then the volume of the material within the localized regions was extracted and replicated. Homogeneous deformation that is independent of the size of the specimen was observed in specimens with shear band like structure, even at a temperature that is far below the glass transition temperature. Structural relaxation and rapid cooling were employed to examine the effect of free volume content on the deformation behavior. This was followed by detailed atomic structure analyses, employing the concepts of Voronoi polyhedra and “liquid-like” regions that contain high fraction of sub-atomic size open volumes. Results suggest that the total fraction of atoms in liquid-like regions is a key parameter that controls the plastic deformation in MGs. These are discussed in the context of reported experimental results and possible strategies for synthesizing monolithic amorphous materials that can accommodate large tensile plasticity are suggested.

  14. 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.

  15. Deformation behavior of metallic glasses with shear band like atomic structure: a molecular dynamics study

    PubMed Central

    Zhong, C.; Zhang, H.; Cao, Q. P.; Wang, X. D.; Zhang, D. X.; Ramamurty, U.; Jiang, J. Z.

    2016-01-01

    Molecular dynamics simulations were employed to investigate the plastic deformation within the shear bands in three different metallic glasses (MGs). To mimic shear bands, MG specimens were first deformed until flow localization occurs, and then the volume of the material within the localized regions was extracted and replicated. Homogeneous deformation that is independent of the size of the specimen was observed in specimens with shear band like structure, even at a temperature that is far below the glass transition temperature. Structural relaxation and rapid cooling were employed to examine the effect of free volume content on the deformation behavior. This was followed by detailed atomic structure analyses, employing the concepts of Voronoi polyhedra and “liquid-like” regions that contain high fraction of sub-atomic size open volumes. Results suggest that the total fraction of atoms in liquid-like regions is a key parameter that controls the plastic deformation in MGs. These are discussed in the context of reported experimental results and possible strategies for synthesizing monolithic amorphous materials that can accommodate large tensile plasticity are suggested. PMID:27480496

  16. Deformation behavior of metallic glasses with shear band like atomic structure: a molecular dynamics study.

    PubMed

    Zhong, C; Zhang, H; Cao, Q P; Wang, X D; Zhang, D X; Ramamurty, U; Jiang, J Z

    2016-08-02

    Molecular dynamics simulations were employed to investigate the plastic deformation within the shear bands in three different metallic glasses (MGs). To mimic shear bands, MG specimens were first deformed until flow localization occurs, and then the volume of the material within the localized regions was extracted and replicated. Homogeneous deformation that is independent of the size of the specimen was observed in specimens with shear band like structure, even at a temperature that is far below the glass transition temperature. Structural relaxation and rapid cooling were employed to examine the effect of free volume content on the deformation behavior. This was followed by detailed atomic structure analyses, employing the concepts of Voronoi polyhedra and "liquid-like" regions that contain high fraction of sub-atomic size open volumes. Results suggest that the total fraction of atoms in liquid-like regions is a key parameter that controls the plastic deformation in MGs. These are discussed in the context of reported experimental results and possible strategies for synthesizing monolithic amorphous materials that can accommodate large tensile plasticity are suggested.

  17. 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

  18. 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.

  19. Band structures extending to very high spin in {sup 126}Xe

    SciTech Connect

    Roenn Hansen, C.; Sletten, G.; Hagemann, G. B.; Herskind, B.; Jensen, D. R.; Bringel, P.; Engelhardt, C.; Huebel, H.; Neusser-Neffgen, A.; Singh, A. K.; Carpenter, M. P.; Janssens, R. V. F.; Khoo, T. L.; Lauritsen, T.; Bednarczyk, P.; Byrski, T.; Curien, D.; Benzoni, G.; Bracco, A.; Camera, F.

    2007-09-15

    High-spin states in {sup 126}Xe have been populated in the {sup 82}Se({sup 48}Ca,4n){sup 126}Xe reaction in two experiments, one at the VIVITRON accelerator in Strasbourg using the Euroball detector array, and a subsequent one with ATLAS at Argonne using the Gammasphere Ge-detector array. Levels and assignments made previously for {sup 126}Xe up to I=20 have been confirmed and extended. Four regular bands extending to a spin of almost I=60, which are interpreted as two pairs of signature partners with opposite parity, are identified for the first time. The {alpha} = 0 partner of each pair is connected to the lower-lying levels, whereas the two {alpha} = 1 partners remain floating. A fractional Doppler shift analysis of transitions in the strongest populated ({pi},{alpha})=(-,0) band provides a value of 5.2{sub 0.5}{sup 0.4} b for the transition quadrupole moment, which can be related to a minimum in the potential-energy surface calculated by the ULTIMATE CRANKER cranked shell-model code at {epsilon}{approx_equal}0.35 and {gamma}{approx_equal}5 deg. The four lowest bands calculated for this minimum compare well with the two signature pairs experimentally observed over a wide spin range. A sharp upbend at ({Dirac_h}/2{pi}){omega}{approx}1170 keV is interpreted as a crossing with a band involving the j{sub 15/2} neutron orbital, for which pairing correlations are expected to be totally quenched. The four long bands extend to within {approx}5 spin units of a crossing with an yrast line defined by calculated hyperdeformed transitions and will serve as important stepping stones into the spin region beyond 60h for future experiments.

  20. 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

  1. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

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

  3. Electronic structure of NaxCu1-xIn5S8 compounds: X-ray photoemission spectroscopy study and band structure calculations

    NASA Astrophysics Data System (ADS)

    Guillot-Deudon, Catherine; Harel, Sylvie; Mokrani, Arezki; Lafond, Alain; Barreau, Nicolas; Fernandez, Vincent; Kessler, John

    2008-12-01

    The aim of the present work is to complete a preliminary study concerning the electronic band structure investigations of NaxCu1-xIn5S8 compounds with 0≤x≤1 , which are expected to be formed at the Cu(In,Ga)Se2/In2S3 interface. The band structure calculations demonstrate that for the compounds containing both Na and Cu, as the Cu content increases the band gap tends to decrease, and x-ray photoemission spectroscopy measurements show that this variation is mainly due to valence-band-maximum shift along the solid solution. The band gap strongly depends on the nature of the monovalent cation, and the band structure calculations demonstrate that the d electrons of copper are responsible for the shift of the valence band. In addition, it is worth noting that the Cu-containing compounds have indirect gaps.

  4. 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 .

  5. 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.

  6. Transparent, metallo-dielectric, one-dimensional, photonic band-gap structures

    NASA Astrophysics Data System (ADS)

    Scalora, M.; Bloemer, M. J.; Pethel, A. S.; Dowling, J. P.; Bowden, C. M.; Manka, A. S.

    1998-03-01

    We investigate numerically the properties of metallo-dielectric, one-dimensional, photonic band-gap structures. Our theory predicts that interference effects give rise to a new transparent metallic structure that permits the transmission of light over a tunable range of frequencies, for example, the ultraviolet, the visible, or the infrared wavelength range. The structure can be designed to block ultraviolet light, transmit in the visible range, and reflect all other electromagnetic waves of lower frequencies, from infrared to microwaves and beyond. The transparent metallic structure is composed of a stack of alternating layers of a metal and a dielectric material, such that the complex index of refraction alternates between a high and a low value. The structure remains transparent even if the total amount of metal is increased to hundreds of skin depths in net thickness.

  7. 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.

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

    DOE PAGES

    Simakov, Evgenya I.; Arsenyev, Sergey A.; Buechler, Cynthia E.; ...

    2016-02-10

    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 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. Wemore » conducted an experiment at the Argonne Wakefield Accelerator (AWA) test facility and observed wakefields excited by a single high charge electron bunch when it passes through a PBG accelerator structure. Lastly, excellent HOM suppression properties of the PBG accelerator were demonstrated in the beam test.« less

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

    SciTech Connect

    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

    2016-02-10

    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 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 (AWA) test facility and observed wakefields excited by a single high charge electron bunch when it passes through a PBG accelerator structure. Lastly, excellent HOM suppression properties of the PBG accelerator were demonstrated in the beam test.

  10. RF Processing of X-Band Accelerator Structures at the NLCTA

    SciTech Connect

    Adolphsen, Chris

    2000-08-24

    During the initial phase of operation, the linacs of the Next Linear Collider (NLC) will contain roughly 5,000 X-Band accelerator structures that will accelerate beams of electrons and positrons to 250 GeV. These structures will nominally operate at an unloaded gradient of 72 MV/m. As part of the NLC R and D program, several prototype structures have been built and operated at the Next Linear Collider Test Accelerator (NLCTA) at SLAC. Here, the effect of high gradient operation on the structure performance has been studied. Significant progress was made during the past year after the NLCTA power sources were upgraded to reliably produce the required NLC power levels and beyond. This paper describes the structures, the processing methodology and the observed effects of high gradient operation.

  11. Do adhesive systems leave resin coats on the surfaces of the metal matrix bands? An adhesive remnant characterization.

    PubMed

    Arhun, Neslihan; Cehreli, Sevi Burcak

    2013-01-01

    Reestablishing proximal contacts with composite resins may prove challenging since the applied adhesives may lead to resin coating that produces additional thickness. The aim of this study was to investigate the surface of metal matrix bands after application of adhesive systems and blowing or wiping off the adhesive before polymerization. Seventeen groups of matrix bands were prepared. The remnant particles were characterized by energy dispersive spectrum and scanning electron microscopy. Total etch and two-step self-etch adhesives did not leave any resin residues by wiping and blowing off. All-in-one adhesive revealed resin residues despite wiping off. Prime and Bond NT did not leave any remnant with compomer. Clinicians must be made aware of the consequences of possible adhesive remnants on matrix bands that may lead to a defective definitive restoration. The adhesive resin used for Class II restorations may leave resin coats on metal matrix bands after polymerization, resulting in additional thickness on the metal matrix bands and poor quality of the proximal surface of the definitive restoration when the adhesive system is incorporated in the restoration.

  12. 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.

  13. 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.

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

    SciTech Connect

    Costa-Quintana, J.; Lopez-Aguilar, F. ); Balle, S. ); Salvador, R. Supercomputer Computations Research Institute, Florida State University, Tallahassee, Florida 32306-4052 )

    1990-04-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

  16. 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.

  17. Bacterial cell surface structures in Yersinia enterocolitica.

    PubMed

    Białas, Nataniel; Kasperkiewicz, Katarzyna; Radziejewska-Lebrecht, Joanna; Skurnik, Mikael

    2012-06-01

    Yersinia enterocolitica is a widespread member of the family of Enterobacteriaceae that contains both non-virulent and virulent isolates. Pathogenic Y. enterocolitica strains, especially belonging to serotypes O:3, O:5,27, O:8 and O:9 are etiologic agents of yersiniosis in animals and humans. Y. enterocolitica cell surface structures that play a significant role in virulence have been subject to many investigations. These include outer membrane (OM) glycolipids such as lipopolysaccharide (LPS) and enterobacterial common antigen (ECA) and several cell surface adhesion proteins present only in virulent Y. enterocolitica, i.e., Inv, YadA and Ail. While the yadA gene is located on the Yersinia virulence plasmid the Ail, Inv, LPS and ECA are chromosomally encoded. These structures ensure the correct architecture of the OM, provide adhesive properties as well as resistance to antimicrobial peptides and to host innate immune response mechanisms.

  18. Effects of surface curvature and surface chemistry on the structure and activity of proteins adsorbed in nanopores.

    PubMed

    Sang, Lung-Ching; Coppens, Marc-Olivier

    2011-04-14

    The interactions of proteins with the surface of cylindrical nanopores are systematically investigated to elucidate how surface curvature and surface chemistry affect the conformation and activity of confined proteins in an aqueous, buffered environment. Two globular proteins, lysozyme and myoglobin, with different catalytic functions, were used as model proteins to analyze structural changes in proteins after adsorption on ordered mesoporous silica SBA-15 and propyl-functionalized SBA-15 (C(3)SBA-15) with carefully controlled pore size. Liquid phase ATR-FTIR spectroscopy was used to study the amide I and II bands of the adsorbed proteins. The amide I bands showed that the secondary structures of free and adsorbed protein molecules differ, and that the secondary structure of the adsorbed protein is influenced by the local geometry as well as by the surface chemistry of the nanopores. The conformation of the adsorbed proteins inside the nanopores of SBA-15 and C(3)SBA-15 is strongly correlated with the local geometry and the surface properties of the nanoporous materials, which results in different catalytic activities. Adsorption by electrostatic interaction of proteins in nanopores of an optimal size provides a favorably confining and protecting environment, which may lead to considerably enhanced structural stability and catalytic activity.

  19. Energy-band structure of CdTe and Si: a sp 3(s ∗) 2k.p model

    NASA Astrophysics Data System (ADS)

    Boujdaria, Kais; Zitouni, Omar

    2004-01-01

    The energy bands of the direct-band-gap semiconductor (CdTe) as well as the indirect-band-gap semiconductor (Si), throughout the entire Brillouin zone, have been obtained by diagonalizing a 24×24 k.p Hamiltonian referred to basis states at k=0. We extend the sp 3s ∗ basis functions by the inclusion of sV∗ orbitals. We find that the sp 3'd'(s ∗) 2k.p model is fairly sufficient to describe the electronic structure of these systems over a wide energy range, obviating the use of any d orbitals. Finally, the comparison with available theoretical results shows that the present model reproduces known results for bulk CdTe and Si, that is, their band structure, including s and p valence bands and the lowest two conduction bands.

  20. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.

    PubMed

    Stoumpos, Constantinos C; Mao, Lingling; Malliakas, Christos D; Kanatzidis, Mercouri G

    2017-01-03

    The present study deals with the structural characterization and classification of the novel compounds 1-8 into perovskite subclasses and proceeds in extracting the structure-band gap relationships between them. The compounds were obtained from the employment of small, 3-5-atom-wide organic ammonium ions seeking to discover new perovskite-like compounds. The compounds reported here adopt unique or rare structure types akin to the prototype structure perovskite. When trimethylammonium (TMA) was employed, we obtained TMASnI3 (1), which is our reference compound for a "perovskitoid" structure of face-sharing octahedra. The compounds EASnI3 (2b), GASnI3 (3a), ACASnI3 (4), and IMSnI3 (5) obtained from the use of ethylammonium (EA), guanidinium (GA), acetamidinium (ACA), and imidazolium (IM) cations, respectively, represent the first entries of the so-called "hexagonal perovskite polytypes" in the hybrid halide perovskite library. The hexagonal perovskites define a new family of hybrid halide perovskites with a crystal structure that emerges from a blend of corner- and face-sharing octahedral connections in various proportions. The small organic cations can also stabilize a second structural type characterized by a crystal lattice with reduced dimensionality. These compounds include the two-dimensional (2D) perovskites GA2SnI4 (3b) and IPA3Sn2I7 (6b) and the one-dimensional (1D) perovskite IPA3SnI5 (6a). The known 2D perovskite BA2MASn2I7 (7) and the related all-inorganic 1D perovskite "RbSnF2I" (8) have also been synthesized. All compounds have been identified as medium-to-wide-band-gap semiconductors in the range of Eg = 1.90-2.40 eV, with the band gap progressively decreasing with increased corner-sharing functionality and increased torsion angle in the octahedral connectivity.