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Sample records for bulk semiconductors surfaces

  1. Interaction of graphene quantum dots with bulk semiconductor surfaces

    SciTech Connect

    Mohapatra, P. K.; Singh, B. P.; Kushavah, Dushyant; Mohapatra, J.

    2015-05-15

    Highly luminescent graphene quantum dots (GQDs) are synthesized through thermolysis of glucose. The average lateral size of the synthesized GQDs is found to be ∼5 nm. The occurrence of D and G band at 1345 and 1580 cm{sup −1} in Raman spectrum confirms the presence of graphene layers. GQDs are mostly consisting of 3 to 4 graphene layers as confirmed from the AFM measurements. Photoluminescence (PL) measurement shows a distinct broadening of the spectrum when GQDs are on the semiconducting bulk surface compared to GQDs in water. The time resolved PL measurement shows a significant shortening in PL lifetime due to the substrate interaction on GQDs compared to the GQDs in solution phase.

  2. Quasiparticle energy studies of bulk semiconductors, surfaces and nanotubes

    SciTech Connect

    Blase, X.F.

    1994-12-01

    Effects of many-body effects on electronic excitation energies (quasiparticle band structure) of these materials are explored. GW approximation, including local field effects, for self-energy operator is used to calculate quasi-particle energies. The newly discovered carbon nanotubes are studied; structural stability and band structures are calculated. BN nanotubes are also studied, and their stability is predicted. Unexpected electronic features are predicted for both systems. Filling of carbon nanotubes with metal atoms and the doping of BN nanotubes by carbon and other impurites is also studied. The occupied surface states at H/Si(111)-(1{times}1) surface are studied; it is shown that the electronic structure requires a full quasiparticle calculation even for this simple chemisorption system. The core level shift of the Si 2p levels for atoms near the H/Si(111)-(1{times}1) surface is calculated; a simple first order perturbation theory using pseudopotential and the local density approximation gives good results for the photoemission spectra of the core electrons. The quasiparticle energies of bulk hexagonal BN and those of an isolated BN sheet are studied; this provides an understanding of the quasiparticle band structure of BN nanotubes. A nearly free electron state with a wavefunction in the interlayer or vacuum region composes the bottom of the conduction bands. A mixed-space formalism is presented for calculating the dynamical screening effects and electron self-energy operator in solids; this provides an efficient algorithm to calculate quasiparticle energies for large systems.

  3. Bulk and surface properties of ZnTe-ZnS system semiconductors

    NASA Astrophysics Data System (ADS)

    Kirovskaya, I. A.; Mironova, E. V.; Kosarev, B. A.; Nor, P. E.; Bukashkina, T. L.

    2016-10-01

    Physicochemical studies of a new ZnTe-ZnS semiconductor system are conducted. It is found that at certain ratios of binary components, substitutional solid solutions with a cubic sphalerite structure are formed in this system. Interrelated laws governing changes in the bulk (crystal chemical, structural) and surface (acid-base) properties with varying system composition are identified. It is assumed they can be attributed to the nature of the active (acid-base) sites. The presented data, observed patterns, and an interpretation of them are used not only to confirm earlier proposed mechanisms of atomic-molecular interaction on diamond-like semiconductors, but to search for promising materials for use in highly sensitive selective sensors for environmental and medical purposes as well.

  4. A Theoretical Study of Bulk and Surface Diffusion Processes for Semiconductor Materials Using First Principles Calculations

    NASA Astrophysics Data System (ADS)

    Roehl, Jason L.

    discovered for a Ga adatom relaxing from heights of 3 and 0.5 A from the surface. These two sets show significant differences in the interaction of the Ga adatom with surface As dimers and an electronic signature of the differences in this interaction was identified. The energetic barriers to diffusion were computed between various adsorption sites. Diffusion profiles for native Cd and S, adatom and vacancy, and non-native interstitial adatoms of Te, Cu and Cl were investigated in bulk wurtzite CdS. The interstitial diffusion paths considered in this work were chosen parallel to c-axis as it represents the path encountered by defects diffusing from the CdTe layer. Because of the lattice mismatch between zinc-blende CdTe and hexagonal wurtzite CdS, the c-axis in CdS is normal to the CdTe interface. The global minimum and maximum energy positions in the bulk unit cell vary for different diffusing species. This results in a significant variation, in the bonding configurations and associated strain energies of different extrema positions along the diffusion paths for various defects. The diffusion barriers range from a low of 0.42 eV for an S interstitial to a high of 2.18 eV for a S vacancy. The computed 0.66 eV barrier for a Cu interstitial is in good agreement with experimental values in the range of 0.58 - 0.96 eV reported in the literature. There exists an electronic signature in the local density of states for the s- and d-states of the Cu interstitial at the global maximum and global minimum energy position. The work presented in this thesis is an investigation into diffusion processes for semiconductor bulk and surfaces. The work provides information about these processes at a level of control unavailable experimentally giving an elaborate description into physical and electronic properties associated with diffusion at its most basic level. Not only does this work provide information about GaAs, CdTe and CdS, it is intended to contribute to a foundation of knowledge that

  5. 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.

  6. Coexistence of bulk and surface polaritons in a magnetic-semiconductor superlattice influenced by a transverse magnetic field

    NASA Astrophysics Data System (ADS)

    Tuz, Vladimir R.; Fesenko, Volodymyr I.; Fedorin, Illia V.; Sun, Hong-Bo; Han, Wei

    2017-03-01

    It is demonstrated that the effect of coexistence of bulk and surface polaritons within the same frequency band and the wavevector space can be achieved in a magnetic-semiconductor superlattice, providing a conscious choice of characteristic resonant frequencies and material fractions of the structure's underlying components as well as geometry of the external static magnetic field. The study is based on the effective medium theory, which is involved to calculate dispersion characteristics of the long-wavelength electromagnetic modes of ordinary and extraordinary bulk polaritons, and hybrid surface polaritons with dominant longitudinal component of either magnetic (HE) or electric (EH) field derived via averaged expressions with respect to the effective constitutive parameters of the superlattice.

  7. Transport noise arising from diffusion and bulk or surface generation recombination in semiconductors

    NASA Astrophysics Data System (ADS)

    Mehta, H.

    The type of noise spectra in solids or solid state devices, which can arise from noise due to a combination of causes, such as diffusion of carriers, generation and recombination (g-r) processes of carriers in the bulk and at the surface was studied using techniques to be described apply equally well to the problem of heat diffusion, with heat transfer or reflection at the boundaries of the system, we have, however, mainly the carrier noise problem in mind. The physical noise sources, the diffusion source, g-r source and surface source, Clarke and Voss' P source are discussed as well as transport noise in symmetrical embedded bodies, in nonsymmetrical embedded bodies, in symmetrical nonembedded bodies and in nonsymmetrical nonembedded bodies. Results indicate that volume g-r and diffusion processes give rather smooth spectra, but, without a l/f range. The high frequency asymptote is always w-3/2 (embedded case) or omega to the minus 2 power (nonembedded case).

  8. Study of surface and bulk electronic structure of II-VI semiconductor nanocrystals using Cu as a nanosensor.

    PubMed

    Grandhi, G Krishnamurthy; Tomar, Renu; Viswanatha, Ranjani

    2012-11-27

    Efficiency of the quantum dots based solar cells relies on charge transfer at the interface and hence on the relative alignment of the energy levels between materials. Despite a high demand to obtain size specific band offsets, very few studies exist where meticulous methods like photoelectron spectroscopy are used. However, semiconductor charging during measurements could result in indirect and possibly inaccurate measurements due to shift in valence and conduction band position. Here, in this report, we devise a novel method to study the band offsets by associating an atomic like state with the conduction band and hence obtaining an internal standard. This is achieved by doping copper in semiconductor nanocrystals, leading to the development of a characteristic intragap Cu-related emission feature assigned to the transition from the conduction band to the atomic-like Cu d state. Using this transition we determine the relative band alignment of II-VI semiconductor nanocrystals as a function of size in the below 10 nm size regime. The results are in excellent agreement with the available photoelectron spectroscopy data as well as the theoretical data. We further use this technique to study the excitonic band edge variation as a function of temperature in CdSe nanocrystals. Additionally, surface electronic structure of CdSe nanocrystals have been studied using quantitative measurements of absolute quantum yield and PL decay studies of the Cu related emission and the excitonic emission. The role of TOP and oleic acid as surface passivating ligand molecules has been studied for the first time.

  9. Bulk Rashba Semiconductors and Related Quantum Phenomena.

    PubMed

    Bahramy, Mohammad Saeed; Ogawa, Naoki

    2017-03-29

    Bithmuth tellurohalides BiTeX (X = Cl, Br and I) are model examples of bulk Rashba semiconductors, exhibiting a giant Rashba-type spin splitting among their both valence and conduction bands. Extensive spectroscopic and transport experiments combined with the state-of-the-art first-principles calculations have revealed many unique quantum phenomena emerging from the bulk Rashba effect in these systems. The novel features such as the exotic inter- and intra-band optical transitions, enhanced magneto-optical response, divergent orbital dia-/para-magnetic susceptibility and helical spin textures with a nontrivial Berry's phase in the momentum space are among the salient discoveries, all arising from this effect. Also, it is theoretically proposed and indications have been experimentally reported that bulk Rashba semiconductors such as BiTeI have the capability of becoming a topological insulator under the application of a hydrostatic pressure. Here, we overview these studies and show that BiTeX are an ideal platform to explore the next aspects of quantum matter, which could ultimately be utilized to create spintronic devices with novel functionalities.

  10. Semiconductor surface protection material

    NASA Technical Reports Server (NTRS)

    Packard, R. D. (Inventor)

    1973-01-01

    A method and a product for protecting semiconductor surfaces is disclosed. The protective coating material is prepared by heating a suitable protective resin with an organic solvent which is solid at room temperature and converting the resulting solution into sheets by a conventional casting operation. Pieces of such sheets of suitable shape and thickness are placed on the semiconductor areas to be coated and heat and vacuum are then applied to melt the sheet and to drive off the solvent and cure the resin. A uniform adherent coating, free of bubbles and other defects, is thus obtained exactly where it is desired.

  11. Detection of Berry's phase in a Bulk Rashba semiconductor.

    PubMed

    Murakawa, H; Bahramy, M S; Tokunaga, M; Kohama, Y; Bell, C; Kaneko, Y; Nagaosa, N; Hwang, H Y; Tokura, Y

    2013-12-20

    The motion of electrons in a solid has a profound effect on its topological properties and may result in a nonzero Berry's phase, a geometric quantum phase encoded in the system's electronic wave function. Despite its ubiquity, there are few experimental observations of Berry's phase of bulk states. Here, we report detection of a nontrivial π Berry's phase in the bulk Rashba semiconductor BiTeI via analysis of the Shubnikov-de Haas (SdH) effect. The extremely large Rashba splitting in this material enables the separation of SdH oscillations, stemming from the spin-split inner and outer Fermi surfaces. For both Fermi surfaces, we observe a systematic π-phase shift in SdH oscillations, consistent with the theoretically predicted nontrivial π Berry's phase in Rashba systems.

  12. Photocontrol of Dirac electrons in a bulk Rashba semiconductor

    NASA Astrophysics Data System (ADS)

    Ogawa, N.; Bahramy, M. S.; Kaneko, Y.; Tokura, Y.

    2014-09-01

    We demonstrate the generation of circularly polarized light induced current of bulk Dirac electrons at room temperature by exploiting a giant Rashba effect in a bulk semiconductor. The photocurrent is spin polarized due to the spin-momentum locking of the electronic states, which is manifested by a sign reversal upon flipping either the photon helicity or the sign of the Rashba parameter, without any stray current. The action spectra revealed the photon energy range, where the photocurrent is carried by the Dirac electrons at the inner Fermi surface. This photogalvanic control is enabled by the sizable spin splittings both at the valence and conduction bands with the same helicity, and also by a number of optical transition pathways compared to those in the two-dimensional Rashba systems. An efficient coupling between the photon field and large spin-orbit interaction is accordingly proposed to allow the universal control of Dirac electrons.

  13. Method of passivating semiconductor surfaces

    DOEpatents

    Wanlass, M.W.

    1990-06-19

    A method is described for passivating Group III-V or II-VI semiconductor compound surfaces. The method includes selecting a passivating material having a lattice constant substantially mismatched to the lattice constant of the semiconductor compound. The passivating material is then grown as an ultrathin layer of passivating material on the surface of the Group III-V or II-VI semiconductor compound. The passivating material is grown to a thickness sufficient to maintain a coherent interface between the ultrathin passivating material and the semiconductor compound. In addition, a device formed from such method is also disclosed.

  14. Method of passivating semiconductor surfaces

    DOEpatents

    Wanlass, Mark W.

    1990-01-01

    A method of passivating Group III-V or II-VI semiconductor compound surfaces. The method includes selecting a passivating material having a lattice constant substantially mismatched to the lattice constant of the semiconductor compound. The passivating material is then grown as an ultrathin layer of passivating material on the surface of the Group III-V or II-VI semiconductor compound. The passivating material is grown to a thickness sufficient to maintain a coherent interface between the ultrathin passivating material and the semiconductor compound. In addition, a device formed from such method is also disclosed.

  15. Surface Flashover of Semiconductors: A Fundamental Study

    DTIC Science & Technology

    1993-06-16

    mechanisms responsible for inducing surface flashover in semiconductors , par- ticularly silicon. In order to achieve this...of semiconductors . 2.9.2 Our Modelfor the Surface Flashover Mechanism We have developed a model in which the flashover initiation process occurs on...is described in detail in the following pages. 3-1 4. CUMULATIVE LIST OF PUBLICATIONS 1. "A Mechanism for Surface Flashover of Semiconductors ,"

  16. Stable surface passivation process for compound semiconductors

    DOEpatents

    Ashby, Carol I. H.

    2001-01-01

    A passivation process for a previously sulfided, selenided or tellurated III-V compound semiconductor surface. The concentration of undesired mid-gap surface states on a compound semiconductor surface is reduced by the formation of a near-monolayer of metal-(sulfur and/or selenium and/or tellurium)-semiconductor that is effective for long term passivation of the underlying semiconductor surface. Starting with the III-V compound semiconductor surface, any oxidation present thereon is substantially removed and the surface is then treated with sulfur, selenium or tellurium to form a near-monolayer of chalcogen-semiconductor of the surface in an oxygen-free atmosphere. This chalcogenated surface is then contacted with a solution of a metal that will form a low solubility chalcogenide to form a near-monolayer of metal-chalcogen-semiconductor. The resulting passivating layer provides long term protection for the underlying surface at or above the level achieved by a freshly chalcogenated compound semiconductor surface in an oxygen free atmosphere.

  17. MM&T Program for the Establishment of Production Techniques for High Power Bulk Semiconductor Limiters.

    DTIC Science & Technology

    1979-07-01

    F. Jellison, ’"-Band, High Power Solid State Receiv6:. IProtector Employing a Bulk Semiconductor Limiter", 1979 IEEE, MTT-S- INTERNATIONAL , Orlando...Techniques for High-Power Bulk Semiconductor Limiters", First Quaterly Report for Contract DAAB07-76-C-0039, ECOM, U.S. Army Electronics Research and...Electronics Supply Ctr Palo Alto, CA 94304 Directorate of Engineering & Standardization Rockwell International ATTN: (DESC-ECS) Mr. N.A. Hauck Science

  18. Chemical modification of semiconductor surfaces

    NASA Technical Reports Server (NTRS)

    Finklea, H. O.

    1981-01-01

    Results of research on the chemical modification of TiO2 powders in the gas phase and the examination of the modified powders by infrared absorption spectroscopy are comprehensively summarized. The range of information obtainable by IR spectroscopy of chemically modified semiconductors, and a definition of the optimum reaction conditions for synthesizing a monolayer of methylsilanes using vapor phase reaction conditions were considered.

  19. Hamiltonian decomposition for bulk and surface states.

    PubMed

    Sasaki, Ken-Ichi; Shimomura, Yuji; Takane, Yositake; Wakabayashi, Katsunori

    2009-04-10

    We demonstrate that a tight-binding Hamiltonian with nearest- and next-nearest-neighbor hopping integrals can be decomposed into bulk and boundary parts for honeycomb lattice systems. The Hamiltonian decomposition reveals that next-nearest-neighbor hopping causes sizable changes in the energy spectrum of surface states even if the correction to the energy spectrum of bulk states is negligible. By applying the Hamiltonian decomposition to edge states in graphene systems, we show that the next-nearest-neighbor hopping stabilizes the edge states. The application of Hamiltonian decomposition to a general lattice system is discussed.

  20. Molecular engineering of semiconductor surfaces and devices.

    PubMed

    Ashkenasy, Gonen; Cahen, David; Cohen, Rami; Shanzer, Abraham; Vilan, Ayelet

    2002-02-01

    Grafting organic molecules onto solid surfaces can transfer molecular properties to the solid. We describe how modifications of semiconductor or metal surfaces by molecules with systematically varying properties can lead to corresponding trends in the (electronic) properties of the resulting hybrid (molecule + solid) materials and devices made with them. Examples include molecule-controlled diodes and sensors, where the electrons need not to go through the molecules (action at a distance), suggesting a new approach to molecule-based electronics.

  1. Surface passivation process of compound semiconductor material using UV photosulfidation

    DOEpatents

    Ashby, Carol I. H.

    1995-01-01

    A method for passivating compound semiconductor surfaces by photolytically disrupting molecular sulfur vapor with ultraviolet radiation to form reactive sulfur which then reacts with and passivates the surface of compound semiconductors.

  2. Surface-enhanced Raman spectroscopy of semiconductor nanostructures

    NASA Astrophysics Data System (ADS)

    Milekhin, A. G.; Sveshnikova, L. L.; Duda, T. A.; Yeryukov, N. A.; Rodyakina, E. E.; Gutakovskii, A. K.; Batsanov, S. A.; Latyshev, A. V.; Zahn, D. R. T.

    2016-01-01

    We review our recent results concerning surface-enhanced Raman scattering (SERS) by confined optical and surface optical phonons in semiconductor nanostructures including CdS, CuS, GaN, and ZnO nanocrystals, GaN and ZnO nanorods, and AlN nanowires. Enhancement of Raman scattering by confined optical phonons as well as appearance of new Raman modes with the frequencies different from those in ZnO bulk attributed to surface optical modes is observed in a series of nanostructures having different morphology located in the vicinity of metal nanoclusters (Ag, Au, and Pt). Assignment of surface optical modes is based on calculations performed in the frame of the dielectric continuum model. It is established that SERS by phonons has a resonant character. A maximal enhancement by optical phonons as high as 730 is achieved for CdS nanocrystals in double resonant conditions at the coincidence of laser energy with that of electronic transitions in semiconductor nanocrystals and localized surface plasmon resonance in metal nanoclusters. Even a higher enhancement is observed for SERS by surface optical modes in ZnO nanocrystals (above 104). Surface enhanced Raman scattering is used for studying phonon spectrum in nanocrystal ensembles with an ultra-low areal density on metal plasmonic nanostructures.

  3. Surface Bonding Effects in Compound Semiconductor Nanoparticles: II

    SciTech Connect

    Helen H. Farrell

    2008-07-01

    Small nanoparticles have a large proportion of their atoms either at or near the surface, and those in clusters are essentially all on the surface. As a consequence, the details of the surface structure are of paramount importance in governing the overall stability of the particle. Just as with bulk materials, factors that determine this stability include “bulk” structure, surface reconstruction, charge balance and hybridization, ionicity, strain, stoichiometry, and the presence of adsorbates. Needless to say, many of these factors, such as charge balance, hybridization and strain, are interdependent. These factors all contribute to the overall binding energy of clusters and small nanoparticles and play a role in determining the deviations from an inverse size dependence that we have previously reported for compound semiconductor materials. Using first-principles density functional theory calculations, we have explored how these factors influence particle stability under a variety of conditions.

  4. Electrons, Phonons and Excitons at Semiconductor Surfaces

    NASA Astrophysics Data System (ADS)

    Pollmann, Johannes; Krueger, Peter; Mazur, Albert; Rohlfing, Michael

    We briefly address 'state-of-the-art' ab-initio calculations of basic properties of semiconductor surfaces such as their atomic configuration, electronic structure and surface vibrations, as well as, their optical properties and compare exemplary results with experimental data. The surface structure and the electronic ground state are described within the local density approximation (LDA) of density functional theory (DFT). The description of excited electronic states requires to take dynamical correlations in the many electron system into account, which is achieved to a considerable extent within the GW approximation (GWA) leading to the concept of the quasiparticle bandstructure. Surface phonons are treated from first principles within density functional perturbation theory (DFPT). The theory of optical surface properties and surface excitons, in particular, requires to account for the electron-hole Coulomb correlation which is done in the framework of the Bethe-Salpeter equation (BSE). These methods yield results which are in good agreement with experiment and can significantly contribute to an interpretation of experimental data from high-resolution surface microscopy and spectroscopy thus enhancing our current understanding of semiconductor surfaces.

  5. Bulk water freezing dynamics on superhydrophobic surfaces

    NASA Astrophysics Data System (ADS)

    Chavan, S.; Carpenter, J.; Nallapaneni, M.; Chen, J. Y.; Miljkovic, N.

    2017-01-01

    In this study, we elucidate the mechanisms governing the heat-transfer mediated, non-thermodynamic limited, freezing delay on non-wetting surfaces for a variety of characteristic length scales, Lc (volume/surface area, 3 mm < Lc < 6 mm) using carefully designed freezing experiments in a temperature-controlled, zero-humidity environment on thin water slabs. To probe the effect of surface wettability, we investigated the total time for room temperature water to completely freeze into ice on superhydrophilic ( θaapp→ 0°), hydrophilic (0° < θa < 90°), hydrophobic (90° < θa < 125°), and superhydrophobic ( θaapp→ 180°) surfaces. Our results show that at macroscopic length scales, heat conduction through the bulk water/ice layer dominates the freezing process when compared to heat conduction through the functional coatings or nanoscale gaps at the superhydrophobic substrate-water/ice interface. In order to verify our findings, and to determine when the surface structure thermal resistance approaches the water/ice resistance, we fabricated and tested the additional substrates coated with commercial superhydrophobic spray coatings, showing a monotonic increase in freezing time with coating thickness. The added thermal resistance of thicker coatings was much larger than that of the nanoscale superhydrophobic features, which reduced the droplet heat transfer and increased the total freezing time. Transient finite element method heat transfer simulations of the water slab freezing process were performed to calculate the overall heat transfer coefficient at the substrate-water/ice interface during freezing, and shown to be in the range of 1-2.5 kW/m2K for these experiments. The results shown here suggest that in order to exploit the heat-transfer mediated freezing delay, thicker superhydrophobic coatings must be deposited on the surface, where the coating resistance is comparable to the bulk water/ice conduction resistance.

  6. Separation of the surface and bulk recombination in silicon by means of transient photoluminescence

    NASA Astrophysics Data System (ADS)

    Heinz, Friedemann D.; Warta, Wilhelm; Schubert, Martin C.

    2017-01-01

    The bulk and surface recombination determine the electrical performance of many semiconductor devices. Yet, the experimental determination and separation of both surface and bulk recombination rate remains challenging. This paper presents the measurement and separation of the bulk and surface recombination in silicon by means of time resolved photoluminescence spectroscopy. The high temporal resolution of the applied time correlated single photon counting technique is exploited to access the photoluminescence response of a silicon sample upon pulsed excitation in the nanosecond to millisecond regime on a sub-cm2 area. A rigorous data fitting algorithm based on two dimensional numeric simulations of the induced charge carrier dynamics is applied to extract all information on bulk and surface recombination properties from the recorded photoluminescence transients. Using different samples with symmetric as well as asymmetric surface recombination properties, we demonstrate the capabilities of the proposed contactless and nondestructive technique, which may be applicable to silicon based mono- or multi-junction devices.

  7. "Dip-Pen" nanolithography on semiconductor surfaces.

    PubMed

    Ivanisevic, A; Mirkin, C A

    2001-08-15

    Dip-Pen Nanolithography (DPN) uses an AFM tip to deposit organic molecules through a meniscus onto an underlying substrate under ambient conditions. Thus far, the methodology has been developed exclusively for gold using alkyl or aryl thiols as inks. This study describes the first application of DPN to write organic patterns with sub-100 nm dimensions directly onto two different semiconductor surfaces: silicon and gallium arsenide. Using hexamethyldisilazane (HMDS) as the ink in the DPN procedure, we were able to utilize lateral force microscopy (LFM) images to differentiate between oxidized semiconductor surfaces and patterned areas with deposited monolayers of HMDS. The choice of the silazane ink is a critical component of the process since adsorbates such as trichlorosilanes are incompatible with the water meniscus and polymerize during ink deposition. This work provides insight into additional factors, such as temperature and adsorbate reactivity, that control the rate of the DPN process and paves the way for researchers to interface organic and biological structures generated via DPN with electronically important semiconductor substrates.

  8. Multiscale approach to the electronic structure of doped semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Sinai, Ofer; Hofmann, Oliver T.; Rinke, Patrick; Scheffler, Matthias; Heimel, Georg; Kronik, Leeor

    2015-02-01

    The inclusion of the global effects of semiconductor doping poses a unique challenge for first-principles simulations, because the typically low concentration of dopants renders an explicit treatment intractable. Furthermore, the width of the space-charge region (SCR) at charged surfaces often exceeds realistic supercell dimensions. Here, we present a multiscale technique that fully addresses these difficulties. It is based on the introduction of a charged sheet, mimicking the SCR-related field, along with free charge which mimics the bulk charge reservoir, such that the system is neutral overall. These augment a slab comprising "pseudoatoms" possessing a fractional nuclear charge matching the bulk doping concentration. Self-consistency is reached by imposing charge conservation and Fermi level equilibration between the bulk, treated semiclassically, and the electronic states of the slab, which are treated quantum-mechanically. The method, called CREST—the charge-reservoir electrostatic sheet technique—can be used with standard electronic structure codes. We validate CREST using a simple tight-binding model, which allows for comparison of its results with calculations encompassing the full SCR explicitly. Specifically, we show that CREST successfully predicts scenarios spanning the range from no to full Fermi level pinning. We then employ it with density functional theory, obtaining insight into the doping dependence of the electronic structures of the metallic "clean-cleaved" Si(111) surface and its semiconducting (2 ×1 ) reconstructions.

  9. Gated Hall effect of nanoplate devices reveals surface-state-induced surface inversion in iron pyrite semiconductor.

    PubMed

    Liang, Dong; Cabán-Acevedo, Miguel; Kaiser, Nicholas S; Jin, Song

    2014-12-10

    Understanding semiconductor surface states is critical for their applications, but fully characterizing surface electrical properties is challenging. Such a challenge is especially crippling for semiconducting iron pyrite (FeS2), whose potential for solar energy conversion has been suggested to be held back by rich surface states. Here, by taking advantage of the high surface-to-bulk ratio in nanostructures and effective electrolyte gating, we develop a general method to fully characterize both the surface inversion and bulk electrical transport properties for the first time through electrolyte-gated Hall measurements of pyrite nanoplate devices. Our study shows that pyrite is n-type in the bulk and p-type near the surface due to strong inversion and yields the concentrations and mobilities of both bulk electrons and surface holes. Further, solutions of the Poisson equation reveal a high-density of surface holes accumulated in a 1.3 nm thick strong inversion layer and an upward band bending of 0.9-1.0 eV. This work presents a general methodology for using transport measurements of nanostructures to study both bulk and surface transport properties of semiconductors. It also suggests that high-density of surface states are present on surface of pyrite, which partially explains the universal p-type conductivity and lack of photovoltage in polycrystalline pyrite.

  10. Theory of electron g-tensor in bulk and quantum-well semiconductors

    NASA Astrophysics Data System (ADS)

    Lau, Wayne H.; Flatte', Michael E.

    2004-03-01

    We present quantitative calculations for the electron g-tensors in bulk and quantum-well semiconductors based on a generalized P.p envelope function theory solved in a fourteen-band restricted basis set. The dependences of g-tensor on structure, magnetic field, carrier density, temperature, and spin polarization have been explored and will be described. It is found that at temperatures of a few Kelvin and fields of a few Tesla, the g-tensors for bulk semiconductors develop quasi-steplike dependences on carrier density or magnetic field due to magnetic quantization, and this effect is even more pronounced in quantum-well semiconductors due to the additional electric quantization along the growth direction. The influence of quantum confinement on the electron g-tensors in QWs is studied by examining the dependence of electron g-tensors on well width. Excellent agreement between these calculated electron g-tensors and measurements [1-2] is found for GaAs/AlGaAs QWs. This work was supported by DARPA/ARO. [1] A. Malinowski and R. T. Harley, Phys. Rev. B 62, 2051 (2000);[2] Le Jeune et al., Semicond. Sci. Technol. 12, 380 (1997).

  11. Scattering of carriers by coupled plasmon-phonon modes in bulk polar semiconductors and polar semiconductor heterostructures

    NASA Astrophysics Data System (ADS)

    Hauber, Anna; Fahy, Stephen

    2017-01-01

    We present a general treatment of carrier scattering by coupled phonon-plasmon collective modes in polar semiconductors, taking anharmonic phonon decay into account and self-consistently calculating carrier momentum relaxation rates and carrier mobility in a parabolic band model. We iteratively solve the weak-field Boltzmann equations for carriers and collective modes and obtain their nonequilibrium distribution functions. Both the scattering rates and the anharmonic decay of the coupled modes are expressed through the total dielectric function of the semiconductor, consisting of a damped lattice dielectric function, and a temperature dependent random phase approximation dielectric function for the carrier plasma. We show that the decay of the coupled modes has a significant effect on the contribution to the mobility limited by carrier-coupled mode scattering. We also propose a scalar quantity, the phonon dissipation weight factor, with which this effect can be estimated from an analytic expression. We apply this treatment to dynamically screened electron-longitudinal optical phonon scattering in bulk polar semiconductors, and to dynamically screened remote phonon scattering in polar heterostructures where monolayers of MoS2 are sandwiched between various polar dielectrics. We find that a dynamic treatment of the remote phonon scattering yields mobilities up to 75% higher than a static screening approximation does for structures which consist of a monolayer of MoS2 between hafnia and silica. Moreover, we show that accounting for the nonzero thickness of the MoS2 interface layer has an important effect on the calculated mobility in the same structure.

  12. Challenges and opportunities in chemical functionalization of semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Gao, Fei; Teplyakov, Andrew V.

    2017-03-01

    The field of chemical functionalization of semiconductor surfaces has developed tremendously over the last several decades. Since silicon occupied the main portion of the industrial applications of semiconductors, understanding its surface chemistry at a molecular level is very advanced. This particular field has also benefited from combining the work on well-defined clean silicon surfaces in vacuum, well-characterized chemically-passivated surfaces in ambient, and current and potential applications of the resulting interfaces. This article will use this work to build a generalized evaluation of the developments in surface chemical functionalization, specifically addressing organic functionalization of semiconductors, and consider the challenges and opportunities for further evolution of the field.

  13. Quantum kinetic theory of optically injected electrical and spin currents in bulk semiconductors

    NASA Astrophysics Data System (ADS)

    Prepelita, Oleg; Sipe, J. E.

    2002-03-01

    We consider the relaxation of coherently controlled currents and spin currents in bulk semiconductors. The currents are injected by simultaneous irradiation with two laser beams; the magnitude of both currents is controlled by the relative phases of these two fields [1,2]. At low injected carrier densities the relaxation of the currents occurs because of the interaction of carriers with the equilibrium optical phonons. Using a quantum master equation approach, Boltzmann type microscopic equations for the averages of the electron-hole subsystem were obtained. From these microscopic equations a simple system of linear differential equations for the evolution of the macroscopic electrical current and spin current in semiconductors can be obtained and easily solved, thus vastly simplifying the calculation of current and spin current relaxation. The developed theory was applied to bulk GaAs. 1.A. Hache, Y. Kostoulas, J. L. P. Hughes, J. E. Sipe, and H. M. van Driel, Phys. Rev. Lett. 78, 306 (1997). 2.R. D. R. Bhat and J. E. Sipe, Phys. Rev. Lett. 85, 5432 (2000).

  14. Non-equilibrium optical phonon dynamics in bulk and low-dimensional semiconductors

    NASA Astrophysics Data System (ADS)

    Srivastava, G. P.

    2007-02-01

    We present theoretical investigations of the intrinsic dynamics of long-wavelength non-equilibrium optical phonons in bulk and low-dimensional semiconductors. The theory is based on the application of Fermi's golden rule formula, with phonon dispersion relations as well as crystal anharmonicity considered in the framework of isotropic continuum model. Contributions to the decay rates of the phonon modes are discussed in terms of four possible channels: Klemens channel (into two acoustic daughter modes), generalised Ridley channel (into one acoustic and one optical mode), generalised Vallee-Bogani channel (into a lower mode of the same branch and an acoustic mode), and Barman-Srivastava channel (into two lower-branch optical modes). The role of crystal structure and cation/anion mass ratio in determining the lifetime of such modes in bulk semiconductors is highlighted. Estimates of lifetimes of such modes in silicon nanowires and carbon nanotubes will also be presented. The results support and explain available experimental data, and make predictions in some cases.

  15. Surface roughness scattering of electrons in bulk mosfets

    SciTech Connect

    Zuverink, Amanda Renee

    2015-11-01

    Surface-roughness scattering of electrons at the Si-SiO2 interface is a very important consideration when analyzing Si metal-oxide-semiconductor field-effect transistors (MOSFETs). Scattering reduces the mobility of the electrons and degrades the device performance. 250-nm and 50-nm bulk MOSFETs were simulated with varying device parameters and mesh sizes in order to compare the effects of surface-roughness scattering in multiple devices. The simulation framework includes the ensemble Monte Carlo method used to solve the Boltzmann transport equation coupled with a successive over-relaxation method used to solve the two-dimensional Poisson's equation. Four methods for simulating the surface-roughness scattering of electrons were implemented on both devices and compared: the constant specularity parameter, the momentum-dependent specularity parameter, and the real-space-roughness method with both uniform and varying electric fields. The specularity parameter is the probability of an electron scattering speculariy from a rough surface. It can be chosen as a constant, characterizing partially diffuse scattering of all electrons from the surface the same way, or it can be momentum dependent, where the size of rms roughness and the normal component of the electron wave number determine the probability of electron-momentum randomization. The real-space rough surface method uses the rms roughness height and correlation length of an actual MOSFET to simulate a rough interface. Due to their charge, electrons scatter from the electric field and not directly from the surface. If the electric field is kept uniform, the electrons do not perceive the roughness and scatter as if from a at surface. However, if the field is allowed to vary, the electrons scatter from the varying electric field as they would in a MOSFET. These methods were implemented for both the 50-nm and 250-nm MOSFETs, and using the rms roughness heights and correlation lengths for real devices. The

  16. Photoreactions on (110) compound semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Lasky, Peter John

    Photo-initiated and thermal reactions of alkyl halides and dimethyl metals on (110) GaAs and CdTe surfaces have been studied under Ultra High Vacuum (UHV) conditions. These specific systems have been chosen because they allow investigation of mechanisms underlying reactions relevant to semiconductor processing. Thermal reactivity studies, binding energy measurements, coverage calibrations, and analyses of photoreaction products have been made using Temperature Programmed Desorption (TPD). The dynamics of photoreactions, induced by irradiation from excimer and excimer-pumped dye lasers, have been investigated using Time of Flight (TOF) methods with a quadrupole mass spectrometer. On these (110) semiconductor surfaces, methyl halides, CH3X (X = Cl, Br, I), exhibit molecular adsorption and desorption at [<]240 K. Modeling of TPD spectra with a repulsive interadsorbate force gives some indication of the formation of ordered overlayers with a tilted orientation. Upon irradiation, methyl fragments are ejected into the vacuum and angular-resolved detection reflects the tilt of the C-X bond axis. For the GaAs case, the orientation has been confirmed by Near- edge X-ray Adsorption Fine Structure (NEXAFS) measurements and corroborated by ab initio calculations done in collaboration with Professor Friesner's group. TOF studies indicate that, in the first monolayer, dissociation proceeds via creation of hot electrons in the substrate and transfer to adsorbate molecules resulting in a process analogous to Dissociative Electron Attachment (DEA) seen in the gas phase. The initial excitation energy necessary to induce this hot electron chemistry with CH3Br on GaAs(110) has been accurately determined and is below that needed for photoemission. With multilayer coverages, direct photolysis is observed; however, it is quenched in the first monolayer. Similar effects are observed in other alkyl halides. (CH3)2M, M = Cd, Zn adsorb molecularly on GaAs(110) at 80 K, but upon heating

  17. - and Mesoscopic Patterns on Semiconductor Surfaces

    NASA Astrophysics Data System (ADS)

    Samuilov, Vladimir; Seo, Young-Soo; Ksenevich, Vitaly; Galibert, Jean; Sokolov, Jonathan; Rafailovich, Miriam

    2002-03-01

    A novel and simple approach of self-organized fabrication of two dimensional mesoscopic networks with the feature size down to 50 nm has been developed. The technique is based on the self-organized patterning in a thin layer of complex liquid (polymer solution) in the presence of humid atmosphere. Two dimensional mesoscopic honeycomb-shaped carbon structures were produced by high temperature annealing of nitrocellulose precursors [1]. The polymer network was also utilized as a mask for further reactive ion etching of surfaces with epi-layer of GaAs [2,3] and GaAs/AlGaAs d -doped heterostructures [4]. These structures can be considered as regular arrays of mesoscopic cells or 2-D photonic band gap crystals. Also, we have used diblock-copolymer system, self-assembled with L-B technique, to produce nano-patterns. These structures were utilized as templates for introducing metal nanopatterns on semiconductor surfaces by reactive ion beam etching for magnetic storage systems [5] and DNA separation on a flat surface [6] devices. 1. V.A. Samuilov, J. Galibert, V.K. Ksenevich, V.J. Goldman, M. Rafailovich, J. Sokolov, I.A. Bashmakov, V.A. Dorosinets, Magnetotransport in mesoscopic carbon networks, Physica B, 294-295, p.p.319-323, 2001. 2. V.A. Samuilov, I.B. Butylina, L.V. Govor, V.K. Ksenevich, I.A. Bashmakov, I.M. Grigorieva, L.V. Solovjova, Fabrication of regular mesoscopic networks of GaAs wires, Superlattices and Microstructures, 25: (1-2) p.p.127-130, 1999. 3. V.A. Samuilov, I.B. Butylina, V.K. Ksenevich, G. Kiss, G. Remenyi, Observation of transport in mesoscopic honeycomb-shaped networks, Superlattices and Microstructures, 25: (1-2) p.p.197-202, 1999 4. J. Galibert, V.A. Samuilov, V.K. Ksenevich, M. Rafailovich, J. Sokolov, Magnetoresistance of low dimensional mesoscopic honeycomb-shape GaAs networks, Physica B, 294-295, p.p.314-318, 2001. 5. S. Zhu, R.J. Gambino, M.H. Rafailovich, J. Sokolov, S.A. Schwarz, and R.D. Gomez, "Microscopic Magnetic Characterization of

  18. Shubnikov-de Haas Oscillations in the Bulk Rashba Semiconductor BiTeI

    SciTech Connect

    Bell, C.; Bahramy, M.S.; Murakawa, H.; Checkelsky, J.G.; Arita, R.; Kaneko, Y.; Onose, Y.; Nagaosa, N.; Tokura, Y.; Hwang, H.Y.

    2012-07-11

    Bulk magnetoresistance quantum oscillations are observed in high quality single crystal samples of BiTeI. This compound shows an extremely large internal spin-orbit coupling, associated with the polarity of the alternating Bi, Te, and I layers perpendicular to the c-axis. The corresponding areas of the inner and outer Fermi surfaces around the A-point show good agreement with theoretical calculations, demonstrating that the intrinsic bulk Rashba-type splitting is nearly 360 meV, comparable to the largest spin-orbit coupling generated in heterostructures and at surfaces.

  19. Determine electric field directions at semiconductor surfaces by femtosecond frequency domain interferometric second harmonic (FDISH) generation

    NASA Astrophysics Data System (ADS)

    Nelson, C. A.; Zhu, X.-Y.

    2016-10-01

    Optical excitations at semiconductor surfaces or interfaces are accompanied by transient interfacial electric fields due to charge redistribution or transfer. While such transient fields may be probed by time-resolved second harmonic generation (TR-SHG), it is difficult to determine the field direction, which is invaluable to unveiling the underlying physics. Here we apply a time-resolved frequency domain interferometric second harmonic (TR-FDISH) generation technique to determine the phase relationship between the SH field emitted from bulk GaAs(1 0 0) and the transient SH field from the space charge region. The interference between these two SH fields allow us to unambiguously determine the directions of transient electric fields. Since SH fields from a static bulk contribution and a changing electric field contribution are present at most semiconductor surfaces or interfaces under optical excitation, the TR-FDISH technique is of general significance to probing the dynamics of interfacial charge transfer/redistribution.

  20. Growth of Bulk Wide Bandgap Semiconductor Crystals and Their Potential Applications

    NASA Technical Reports Server (NTRS)

    Chen, Kuo-Tong; Shi, Detang; Morgan, S. H.; Collins, W. Eugene; Burger, Arnold

    1997-01-01

    Developments in bulk crystal growth research for electro-optical devices in the Center for Photonic Materials and Devices since its establishment have been reviewed. Purification processes and single crystal growth systems employing physical vapor transport and Bridgman methods were assembled and used to produce high purity and superior quality wide bandgap materials such as heavy metal halides and II-VI compound semiconductors. Comprehensive material characterization techniques have been employed to reveal the optical, electrical and thermodynamic properties of crystals, and the results were used to establish improved material processing procedures. Postgrowth treatments such as passivation, oxidation, chemical etching and metal contacting during the X-ray and gamma-ray device fabrication process have also been investigated and low noise threshold with improved energy resolution has been achieved.

  1. Collective bulk carrier delocalization driven by electrostatic surface charge accumulation.

    PubMed

    Nakano, M; Shibuya, K; Okuyama, D; Hatano, T; Ono, S; Kawasaki, M; Iwasa, Y; Tokura, Y

    2012-07-25

    In the classic transistor, the number of electric charge carriers--and thus the electrical conductivity--is precisely controlled by external voltage, providing electrical switching capability. This simple but powerful feature is essential for information processing technology, and also provides a platform for fundamental physics research. As the number of charges essentially determines the electronic phase of a condensed-matter system, transistor operation enables reversible and isothermal changes in the system's state, as successfully demonstrated in electric-field-induced ferromagnetism and superconductivity. However, this effect of the electric field is limited to a channel thickness of nanometres or less, owing to the presence of Thomas-Fermi screening. Here we show that this conventional picture does not apply to a class of materials characterized by inherent collective interactions between electrons and the crystal lattice. We prepared metal-insulator-semiconductor field-effect transistors based on vanadium dioxide--a strongly correlated material with a thermally driven, first-order metal-insulator transition well above room temperature--and found that electrostatic charging at a surface drives all the previously localized charge carriers in the bulk material into motion, leading to the emergence of a three-dimensional metallic ground state. This non-local switching of the electronic state is achieved by applying a voltage of only about one volt. In a voltage-sweep measurement, the first-order nature of the metal-insulator transition provides a non-volatile memory effect, which is operable at room temperature. Our results demonstrate a conceptually new field-effect device, extending the concept of electric-field control to macroscopic phase control.

  2. Electrical and optical conductivities of hole gas in p-doped bulk III-V semiconductors

    NASA Astrophysics Data System (ADS)

    Mawrie, Alestin; Halder, Pushpajit; Ghosh, Barun; Ghosh, Tarun Kanti

    2016-09-01

    We study electrical and optical conductivities of hole gas in p-doped bulk III-V semiconductors described by the Luttinger Hamiltonian. We provide exact analytical expressions of the Drude conductivity, inverse relaxation time for various impurity potentials, Drude weight, and optical conductivity in terms of the Luttinger parameters γ1 and γ2. The back scattering is completely suppressed as a result of the helicity conservation of the heavy and light hole states. The energy dependence of the relaxation time for the hole states is different from the Brooks-Herring formula for electron gas in n-doped semiconductors. We find that the inverse relaxation time of heavy holes is much less than that of the light holes for Coulomb-type and Gaussian-type impurity potentials and vice-versa for a short-range impurity potential. The Drude conductivity increases non-linearly with the increase in the hole density. The exponent of the density dependence of the conductivity is obtained in the Thomas-Fermi limit. The Drude weight varies linearly with the density even in the presence of the spin-orbit coupling. The finite-frequency optical conductivity goes as √{ ω} , and its amplitude strongly depends on the Luttinger parameters. The Luttinger parameters can be extracted from the optical conductivity measurement.

  3. Large enhancements of thermopower and carrier mobility in quantum dot engineered bulk semiconductors.

    PubMed

    Liu, Yuanfeng; Sahoo, Pranati; Makongo, Julien P A; Zhou, Xiaoyuan; Kim, Sung-Joo; Chi, Hang; Uher, Ctirad; Pan, Xiaoqing; Poudeu, Pierre F P

    2013-05-22

    The thermopower (S) and electrical conductivity (σ) in conventional semiconductors are coupled adversely through the carriers' density (n) making it difficult to achieve meaningful simultaneous improvements in both electronic properties through doping and/or substitutional chemistry. Here, we demonstrate the effectiveness of coherently embedded full-Heusler (FH) quantum dots (QDs) in tailoring the density, mobility, and effective mass of charge carriers in the n-type Ti(0.1)Zr(0.9)NiSn half-Heusler matrix. We propose that the embedded FH QD forms a potential barrier at the interface with the matrix due to the offset of their conduction band minima. This potential barrier discriminates existing charge carriers from the conduction band of the matrix with respect to their relative energy leading to simultaneous large enhancements of the thermopower (up to 200%) and carrier mobility (up to 43%) of the resulting Ti(0.1)Zr(0.9)Ni(1+x)Sn nanocomposites. The improvement in S with increasing mole fraction of the FH-QDs arises from a drastic reduction (up to 250%) in the effective carrier density coupled with an increase in the carrier's effective mass (m*), whereas the surprising enhancement in the mobility (μ) is attributed to an increase in the carrier's relaxation time (τ). This strategy to manipulate the transport behavior of existing ensembles of charge carriers within a bulk semiconductor using QDs is very promising and could pave the way to a new generation of high figure of merit thermoelectric materials.

  4. Mapping vibrational surface and bulk modes in a single nanocube

    NASA Astrophysics Data System (ADS)

    Lagos, Maureen J.; Trügler, Andreas; Hohenester, Ulrich; Batson, Philip E.

    2017-03-01

    Imaging of vibrational excitations in and near nanostructures is essential for developing low-loss infrared nanophotonics, controlling heat transport in thermal nanodevices, inventing new thermoelectric materials and understanding nanoscale energy transport. Spatially resolved electron energy loss spectroscopy has previously been used to image plasmonic behaviour in nanostructures in an electron microscope, but hitherto it has not been possible to map vibrational modes directly in a single nanostructure, limiting our understanding of phonon coupling with photons and plasmons. Here we present spatial mapping of optical and acoustic, bulk and surface vibrational modes in magnesium oxide nanocubes using an atom-wide electron beam. We find that the energy and the symmetry of the surface polariton phonon modes depend on the size of the nanocubes, and that they are localized to the surfaces of the nanocube. We also observe a limiting of bulk phonon scattering in the presence of surface phonon modes. Most phonon spectroscopies are selectively sensitive to either surface or bulk excitations; therefore, by demonstrating the excitation of both bulk and surface vibrational modes using a single probe, our work represents advances in the detection and visualization of spatially confined surface and bulk phonons in nanostructures.

  5. Mapping vibrational surface and bulk modes in a single nanocube.

    PubMed

    Lagos, Maureen J; Trügler, Andreas; Hohenester, Ulrich; Batson, Philip E

    2017-03-22

    Imaging of vibrational excitations in and near nanostructures is essential for developing low-loss infrared nanophotonics, controlling heat transport in thermal nanodevices, inventing new thermoelectric materials and understanding nanoscale energy transport. Spatially resolved electron energy loss spectroscopy has previously been used to image plasmonic behaviour in nanostructures in an electron microscope, but hitherto it has not been possible to map vibrational modes directly in a single nanostructure, limiting our understanding of phonon coupling with photons and plasmons. Here we present spatial mapping of optical and acoustic, bulk and surface vibrational modes in magnesium oxide nanocubes using an atom-wide electron beam. We find that the energy and the symmetry of the surface polariton phonon modes depend on the size of the nanocubes, and that they are localized to the surfaces of the nanocube. We also observe a limiting of bulk phonon scattering in the presence of surface phonon modes. Most phonon spectroscopies are selectively sensitive to either surface or bulk excitations; therefore, by demonstrating the excitation of both bulk and surface vibrational modes using a single probe, our work represents advances in the detection and visualization of spatially confined surface and bulk phonons in nanostructures.

  6. Photovoltage inversion effect and its application to semiconductor surface studies: CdS.

    NASA Technical Reports Server (NTRS)

    Lagowski, J.; Balestra, C. L.; Gatos, H. C.

    1971-01-01

    Experimental results on the surface states of the basal plane of CdS are presented and discussed in the light of a model of the photovoltage inversion effect. It is found that the surface states associated with this effect are in poor communication with the bulk and under normal conditions may require long periods of time to reach equilibrium. A combination of photovoltage inversion, photovoltage quenching, and photovoltage spectroscopy is believed to constitute a very effective tool for the study of surfaces of wide energy gap semiconductors.

  7. The Positron as a Probe for Studying Bulk and Defect Properties in Semiconductors

    NASA Astrophysics Data System (ADS)

    Dlubek, G.; Brümmer, O.

    Positron lifetime measurements are used to study various doped and undoped III-V compound semiconductors like GaAs, GaP, InAs and InP. In some as-grown crystals native vacancies (V, V) or their complexes with dopants (TeAsV, VPZnInV) are detected with maximum concentrations of a few 1018 cm-3. In undoped GaAs neutral As vacancies V are identified, the concentration of which varies locally. The vacancies have their origin in deviations from the stoichiometrie composition of the compound. They disappear at 500°C. At this temperature defects created by irradiation with fast neutrons anneal also out. The relation between the bulk positron lifetime and the density and polarization of valence electrons is analyzed. Further, the potential of the positron annihilation method in identifying and characterizing vacancy-type defects in semiconductors is discussed.Translated AbstractDas Positron als Sonde zur Untersuchung der Volumen- und Fehlstelleneigenschaften in HalbleiternPositronenlebensdauermessungen werden angewandt, um verschiedene dotierte und undotierte AIIIBV-Verbindungshalbleiter, wie GaAs, GaP, InAs und InP, zu untersuchen. In einigen Kristallen werden Leerstellen (V, V) oder ihre Komplexe mit Dotierungen (TeAsV, VPZnInV) mit maximalen Konzentrationen von einigen 1018 cm-3 nachgewiesen. In undotierten GaAs werden neutrale As-Leerstellen V identifiziert, deren Konzentration lokal variiert. Die Leerstellen haben ihren Ursprung in Abweichungen von der stöchiometrischen Zusammensetzung der Verbindung. Sie verschwinden bei 500°C. Bei dieser Temperatur heilen auch Defekte aus, welche durch Bestrahlung mit schnellen Neutronen erzeugt wurden. Die Beziehung zwischen der Positronenlebensdauer im Kristall und der Dichte und Polarisierung der Valenzelektronen wird analysiert. Weiterhin wird das Potential der Methode der Positronenannihilation zur Identifizierung und Charakterisierung leerstellenartiger Defekte in Halbleitern diskutiert.

  8. Surface resistance measurement of modified QMG superconducting bulks

    NASA Astrophysics Data System (ADS)

    Saito, A.; Sekiya, N.; Teshima, H.; Obara, H.; Noguchi, Y.; Hirano, H.; Hirano, S.; Ohshima, S.

    2006-10-01

    We investigated the microwave properties of high-temperature superconductor (HTS) bulks for high-power microwave applications. The HTS bulk samples of Dy-Ba-Cu-O and Gd-Ba-Cu-O, were prepared using the modified quench and melt growth (QMG) process. The relationship among the bulk surface mirror polishing process, oxygen annealing process, and surface resistance (Rs) was also investigated. The Rs of the HTS bulks was measured using the dielectric resonator method at 21.8 GHz for the TE011 mode. The measurement temperature was varied from 20 to 95 K. We found that the annealing after surface mirror polishing was more effective to obtain low Rs than polishing after annealing. Although the Rs value of the optimized Dy-Ba-Cu-O bulk sample at 20 K was twofold larger than that of the high-quality YBa2Cu3O7-δ thin film fabricated by THEVA GmbH, the Rs value was even low enough to be used for microwave devices. These results indicate that Dy-Ba-Cu-O bulk superconductors are feasible for applications to high-power transmit filters for mobile communication systems.

  9. Surface plasmon based engineering of semiconductor nanowire optics

    NASA Astrophysics Data System (ADS)

    Aspetti, Carlos Octavio

    Semiconductor nanowires combine the material properties of semiconductors, which are ubiquitous in modern technology, with nanoscale dimensions and as such, are firmly poised at the forefront of nanotechnology research. The rich physics of semiconductor nanowire optics, in particular, arises from the increased interaction between light and matter that occurs when light is confined to dimensions below the size of its wavelength, in other words, when the nanowire serves as a light trapping optical cavity, which itself is also a source of light. Light confinement is taken to new extremes by coupling to the surface plasmon modes of metallic nanostructures, where light acquires mixed photonic and electronic character, and which may focus light to deep-subwavelength regions amenable to the dimensions of the electron wave. This thesis examines how the integration of "plasmonic optical cavities" and semiconductor nanowires leads to substantial modification (and enhancement) of the optical properties of the same, resulting in orders-of-magnitude faster and more efficient light emission with colors that may be tuned as a function of optical cavity geometry. Furthermore, this method is applied to nanowires composed of both direct and indirect bandgap semiconductor materials resulting in applications such as light emission from high-energy states in light emitting materials, highly enhanced broadband light emission from nominally non-light emitting (dark) materials, and broadband (and anomalous) enhancement of light absorption in various materials, all the while maintaining the unifying theme of employing integrated plasmonic-semiconductor optical cavities to achieve tailored optical properties. We begin with a review of the electromagnetic properties of optical cavities, surface plasmon-enhanced light emission in semiconductors, and the key physical properties of semiconductor nanowires. It goes without saying that this thesis work resides at the interface between optical

  10. Dynamical thermoelectric coefficients of bulk semiconductor crystals: Towards high thermoelectric efficiency at high frequencies

    SciTech Connect

    Ezzahri, Younès Joulain, Karl

    2014-06-14

    We investigate in this work the fundamental behavior of the dynamical thermoelectric coefficients of a bulk cubic semiconductor (SC) crystal. The treatment is based on solving Boltzmann electron transport equation in the frequency domain after simultaneous excitations by dynamical temperature and electric potential gradients, within the framework of the single relaxation time approximation. The SC crystal is assumed to be a linear, elastic homogenous, and isotropic medium having a parabolic energy band structure. We further assume to deal with one type of carriers (electrons or holes) that reside in a single energy band, and we neglect any phonon drag effect. Our approach allows us to obtain very compact expressions for the different dynamical thermoelectric coefficients that nicely capture the essential features of the dynamics of electron transport. We emphasize our study about the dynamical behavior of the thermoelectric figure of merit ZT(Ω) of the SC crystal by considering the coupled electron-phonon transport. Our study revealed a very interesting and compelling result in which ZT increases in the high frequency regime with respect to its steady-state value. The fundamental reason of this enhancement is due to the intrinsic uncoupling in the dynamics of electrons and phonons in the high frequency regime.

  11. Bulk Growth of Wide Band Gap II-VI Compound Semiconductors by Physical Vapor Transport

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua

    1997-01-01

    The mechanism of physical vapor transport of II-VI semiconducting compounds was studied both theoretically, using a one-dimensional diffusion model, as well as experimentally. It was found that the vapor phase stoichiometry is critical in determining the vapor transport rate. The experimental heat treatment methods to control the vapor composition over the starting materials were investigated and the effectiveness of the heat treatments was confirmed by partial pressure measurements using an optical absorption technique. The effect of residual (foreign) gas on the transport rate was also studies theoretically by the diffusion model and confirmed experimentally by the measurements of total pressure and compositions of the residual gas. An in-situ dynamic technique for the transport rate measurements and a further extension of the technique that simultaneously measured the partial pressures and transport rates were performed and, for the first time, the experimentally determined mass fluxes were compared with those calculated, without any adjustable parameters, from the diffusion model. Using the information obtained from the experimental transport rate measurements as guideline high quality bulk crystal of wide band gap II-VI semiconductor were grown from the source materials which undergone the same heat treatment methods. The grown crystals were then extensively characterized with emphasis on the analysis of the crystalline structural defects.

  12. Polycrystalline silicon ring resonator photodiodes in a bulk complementary metal-oxide-semiconductor process.

    PubMed

    Mehta, Karan K; Orcutt, Jason S; Shainline, Jeffrey M; Tehar-Zahav, Ofer; Sternberg, Zvi; Meade, Roy; Popović, Miloš A; Ram, Rajeev J

    2014-02-15

    We present measurements on resonant photodetectors utilizing sub-bandgap absorption in polycrystalline silicon ring resonators, in which light is localized in the intrinsic region of a p+/p/i/n/n+ diode. The devices, operating both at λ=1280 and λ=1550  nm and fabricated in a complementary metal-oxide-semiconductor (CMOS) dynamic random-access memory emulation process, exhibit detection quantum efficiencies around 20% and few-gigahertz response bandwidths. We observe this performance at low reverse biases in the range of a few volts and in devices with dark currents below 50 pA at 10 V. These results demonstrate that such photodetector behavior, previously reported by Preston et al. [Opt. Lett. 36, 52 (2011)], is achievable in bulk CMOS processes, with significant improvements with respect to the previous work in quantum efficiency, dark current, linearity, bandwidth, and operating bias due to additional midlevel doping implants and different material deposition. The present work thus offers a robust realization of a fully CMOS-fabricated all-silicon photodetector functional across a wide wavelength range.

  13. Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe{sub 2}

    SciTech Connect

    Nelson, A.J.; Berry, G.; Rockett, A.

    1997-04-01

    Core-level and valence band photoemission from semiconductors has been shown to exhibit binding energy differences between surface atoms and bulk atoms, thus allowing one to unambiguously distinguish between the two atomic positions. Quite clearly, surface atoms experience a potential different from the bulk due to the lower coordination number - a characteristic feature of any surface is the incomplete atomic coordination. Theoretical accounts of this phenomena are well documented in the literature for III-V and II-VI semiconductors. However, surface state energies corresponding to the equilibrium geometry of (100) and (111) surfaces of Cu-based ternary chalcopyrite semiconductors have not been calculated or experimental determined. These compounds are generating great interest for optoelectronic and photovoltaic applications, and are an isoelectronic analog of the II-VI binary compound semiconductors. Surface core-level binding energy shifts depend on the surface cohesive energies, and surface cohesive energies are related to surface structure. For ternary compound semiconductor surfaces, such as CuInSe{sub 2}, one has the possibility of variations in surface stoichiometry. Applying standard thermodynamical calculations which consider the number of individual surface atoms and their respective chemical potentials should allow one to qualitatively determine the magnitude of surface core-level shifts and, consequently, surface state energies.

  14. Exceptional surface and bulk electronic structures in a topological insulator, Bi2Se3

    PubMed Central

    Biswas, Deepnarayan; Thakur, Sangeeta; Balakrishnan, Geetha; Maiti, Kalobaran

    2015-01-01

    The outstanding problem in topological insulators is the bulk metallicity underneath topologically ordered surface states and the appearance of Dirac point far away from the Fermi energy. Enormous efforts are being devoted to get the Dirac point at the Fermi level via exposure to foreign materials so that these materials can be used in technology and realize novel fundamental physics. Ironically, the conclusion of bulk metallicity in the electronic structure is essentially based on the angle resolved photoemission spectroscopy, a highly surface sensitive technique. Here, we employed state-of-the-art hard x-ray photoemission spectroscopy with judiciously chosen experiment geometry to delineate the bulk electronic structure of a topological insulator and a potential thermoelectric material, Bi2Se3. The results exhibit signature of insulating bulk electronic structure with tiny intensities at akin to defect/vacancy induced doped states in the semiconductors. The core level spectra exhibit intense plasmon peak associated to core level excitations manifesting the signature of coupling of electrons to the collective excitations, a possible case of plasmon-phonon coupling. In addition, a new loss feature appear in the core level spectra indicating presence of additional collective excitations in the system. PMID:26644075

  15. Concentration polarization, surface currents, and bulk advection in a microchannel

    NASA Astrophysics Data System (ADS)

    Nielsen, Christoffer P.; Bruus, Henrik

    2014-10-01

    We present a comprehensive analysis of salt transport and overlimiting currents in a microchannel during concentration polarization. We have carried out full numerical simulations of the coupled Poisson-Nernst-Planck-Stokes problem governing the transport and rationalized the behavior of the system. A remarkable outcome of the investigations is the discovery of strong couplings between bulk advection and the surface current; without a surface current, bulk advection is strongly suppressed. The numerical simulations are supplemented by analytical models valid in the long channel limit as well as in the limit of negligible surface charge. By including the effects of diffusion and advection in the diffuse part of the electric double layers, we extend a recently published analytical model of overlimiting current due to surface conduction.

  16. Immobilization of biomolecules on semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Joensson, U.; Malmqvist, M.; Nilsson, H.; Olofsson, G.; Roennberg, I.

    1983-09-01

    A reproducible, stable and functional introduction of reactive groups on oxide covered silicon surfaces used in chemically sensitive field effect transistors and optical methods based on light reflection is described. Biomolecules, such as antibodies, antigens and enzymes, were covalently attached to the surface modified silicon via a thiol disulfide exchange reaction. The immobilization technique eliminates the risk of crosslinking and homopolymerization, giving monolayer coverage in close contact with the surface. The technique was used for immobilized protein A and interaction of such surfaces with immunoglobulins. The result was evaluated by in situ ellipsometry, which gives the amount of immobilized and interacting material on the surfaces.

  17. Surface and bulk contribution to Cu(111) quantum efficiency

    SciTech Connect

    Pedersoli, Emanuele; Greaves, Corin Michael Ricardo; Wan, Weishi; Coleman-Smith, Christopher; Padmore, Howard A.; Pagliara, Stefania; Cartella, Andrea; Lamarca, Fabrizio; Ferrini, Gabriele; Galimberti, Gianluca; Montagnese, Matteo; dal Conte, Stefano; Parmigiani, Fulvio

    2008-11-04

    The quantum efficiency (QE) of Cu(111) is measured for different impinging light angles with photon energies just above the work function. We observe that the vectorial photoelectric effect, an enhancement of the QE due to illumination with light with an electric vector perpendicular to the sample surface, is stronger in the more surface sensitive regime. This can be explained by a contribution to photoemission due to the variation in the electromagnetic potential at the surface. The contributions of bulk and surface electrons can then be determined.

  18. Investigation on properties of ultrafast switching in a bulk gallium arsenide avalanche semiconductor switch

    SciTech Connect

    Hu, Long; Su, Jiancang; Ding, Zhenjie; Hao, Qingsong; Yuan, Xuelin

    2014-03-07

    Properties of ultrafast switching in a bulk gallium arsenide (GaAs) avalanche semiconductor switch based on semi-insulating wafer, triggered by an optical pulse, were analyzed using physics-based numerical simulations. It has been demonstrated that when a voltage with amplitude of 5.2 kV is applied, after an exciting optical pulse with energy of 1 μJ arrival, the structure with thickness of 650 μm reaches a high conductivity state within 110 ps. Carriers are created due to photons absorption, and electrons and holes drift to anode and cathode terminals, respectively. Static ionizing domains appear both at anode and cathode terminals, and create impact-generated carriers which contribute to the formation of electron-hole plasma along entire channel. When the electric field in plasma region increases above the critical value (∼4 kV/cm) at which the electrons drift velocity peaks, a domain comes into being. An increase in carrier concentration due to avalanche multiplication in the domains reduces the domain width and results in the formation of an additional domain as soon as the field outside the domains increases above ∼4 kV/cm. The formation and evolution of multiple powerfully avalanching domains observed in the simulations are the physical reasons of ultrafast switching. The switch exhibits delayed breakdown with the characteristics affected by biased electric field, current density, and optical pulse energy. The dependence of threshold energy of the exciting optical pulse on the biased electric field is discussed.

  19. Nonadiabatic bulk-surface oscillations in driven topological insulators

    NASA Astrophysics Data System (ADS)

    Kolodrubetz, Michael; Fregoso, Benjamin M.; Moore, Joel E.

    2016-11-01

    Recent theoretical and experimental work has suggested the tantalizing possibility of opening a topological gap upon driving the surface states of a three-dimensional strong topological insulator (TI) with circularly polarized light. With this motivation, we study the response of TIs to a driving field that couples to states near the surface. We unexpectedly find coherent oscillations between the surface and the bulk and trace their appearance to unavoidable resonances caused by photon absorption from the drive. We show how these resonant oscillations may be captured by the Demkov-Osherov model of multilevel Landau-Zener physics, leading to nontrivial consequences such as the loss of adiabaticity upon slow ramping of the amplitude. We numerically demonstrate that these oscillations are observable in the time-dependent Wigner distribution, which is directly measurable in time-resolved angle-resolved photoemission spectroscopy (ARPES) experiments. Our results apply to any system with surface states in the presence of a gapped bulk, and thus suggest experimental signatures of a generic surface-bulk coupling mechanism that is fundamental for proposals to engineer nontrivial states by periodic driving.

  20. Point defect reactions at surfaces and in bulk metals

    NASA Astrophysics Data System (ADS)

    Flynn, C. P.

    2005-02-01

    This paper describes the time evolution of reacting defect assemblies both in bulk metals and on their surfaces. Three areas are treated. The first describes the linear response of reacting assemblies to perturbing fields such as irradiation or temperature change. Alternative long wavelength limits identified here concern: (i) independent diffusion of vacancy- and interstitial-type defects to sinks; and (ii) joint diffusion of defects down a chemical potential gradient, with a separate branch of solutions associated with recombination. The second topic concerns definitions of the chemical potential μ* and temperature T* associated with the defect system itself, as distinct from the properties of the embedding lattice. The utility of these quantities is illustrated by examples including those pertaining to rapid temperature change. μ* and T differ from the lattice values μ,T , to an extent that determines possible energy and particle transfer in such processes as nucleation of new sinks and precipitation from the defect assembly. The role of these quantities in relaxation modes is clarified. Finally, an appendix discusses an approximate model of defect behavior in the bulk, and a speculative discussion of defect behavior on surfaces, both positing homologous properties of the defect systems in metals, when scaled to the melting temperature Tm . These characteristics of a standard metal and a standard close-packed metal surface are employed in the text to identify and contrast typical behaviors of the bulk and surface defect systems of metals. Universal properties that follow from these models are discussed in a second appendix.

  1. Experimental demonstration of surface and bulk plasmon polaritons in hypergratings

    PubMed Central

    Sreekanth, Kandammathe Valiyaveedu; De Luca, Antonio; Strangi, Giuseppe

    2013-01-01

    Hyperbolic metamaterials (HMMs) represent a novel class of fascinating anisotropic plasmonic materials, supporting highly confined bulk plasmon polaritons in addition to the surface plasmon polaritons. However, it is very challenging to tailor and excite those modes at optical frequencies using prism coupling technique because of the intrinsic difficulties to engineer non-traditional optical properties using artificial nanostructures and the unavailability of high refractive index prisms for matching the momentum between the incident light and the guided modes. Here, we experimentally demonstrate the excitation of both surface and bulk plasmon polaritons in a HMM through a grating coupling technique of surface plasmon excitation that makes use a hypergrating, which is a combined structure of metallic diffraction grating and HMM. Initially, we propose an optical hyperbolic metamaterial based on Au/TiO2 multilayers and confirm the hyperbolic dispersion, and the presence of high-k modes in the fabricated HMM. Reflection measurements as a function of incident angle and excitation wavelength show the existence of both surface and bulk plasmon polaritons inside the hypergrating. The proposed configuration is expected to find potential applications in bio-chemical sensors, integrated optics and optical sub-wavelength imaging. PMID:24256947

  2. Surface-Dominated Transport on a Bulk Topological Insulator

    NASA Astrophysics Data System (ADS)

    Hofmann, Philip; Barreto, Lucas; Kühnemund, Lisa; Edler, Frederik; Tegenkamp, Christoph; Mi, Jianli; Bremholm, Martin; Brummerstedt Iversen, Bo; Frydendahl, Christian; Bianchi, Marco

    2014-03-01

    Topological insulators are guaranteed to support metallic surface states on an insulating bulk, and one should thus expect that the electronic transport in these materials is dominated by the surfaces states. Alas, due to the high remaining bulk conductivity, surface contributions to transport have so-far only been singled out indirectly via quantum oscillation, or for devices based on gated and doped topological insulator thin films, a situation in which the surface carrier mobility could be limited by defect and interface scattering. Here we present a direct measurement of surface-dominated conduction on an atomically clean surface of Bi2Te2Se. Using nano-scale four point setups with variable contact distance, we show that the transport at 30 K is two-dimensional rather than three-dimensional and by combining these measurements with angle-resolved photoemission results from the same crystals, we find a surface state mobility of 390(30) cm2V-1s-1 at 30 K at a carrier concentration of 8.71(7) ×1012 cm-2.

  3. 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

  4. Bulk Surface Momentum Parameters for Satellite-Derived Vegetation Fields

    NASA Technical Reports Server (NTRS)

    Jasinski, Michael F.; Borak, Jordan; Crago, Richard

    2005-01-01

    The bulk aerodynamic parameters associated with the absorption of surface momentum by vegetated landscapes are theoretically estimated within the context of Raupach's roughness sublayer formulation. The parameters include the bulk plant drag coefficient, maximum u*/U(sub h), sheltering coefficient, and canopy area density at onset of sheltering. Parameters are estimated for the four principal IGBP land cover classes within the U.S. Southern Great Plains: evergreen needleleaf forests, grasslands, croplands, and open shrublands. The estimation approach applies the Method of Moments to roughness data from several international field experiments and other published sources. The results provide the necessary land surface parameters for satellite-based estimation of momentum aerodynamic roughness length and zero-plane displacement height for seasonally variable vegetation fields employed in most terrestrial and atmospheric simulation models used today. Construction of sample displacement and roughness maps over the Southern United States using MODIS land products demonstrates the potential of this approach for regional to global applications.

  5. Electroless silver plating of the surface of organic semiconductors.

    PubMed

    Campione, Marcello; Parravicini, Matteo; Moret, Massimo; Papagni, Antonio; Schröter, Bernd; Fritz, Torsten

    2011-10-04

    The integration of nanoscale processes and devices demands fabrication routes involving rapid, cost-effective steps, preferably carried out under ambient conditions. The realization of the metal/organic semiconductor interface is one of the most demanding steps of device fabrication, since it requires mechanical and/or thermal treatments which increment costs and are often harmful in respect to the active layer. Here, we provide a microscopic analysis of a room temperature, electroless process aimed at the deposition of a nanostructured metallic silver layer with controlled coverage atop the surface of single crystals and thin films of organic semiconductors. This process relies on the reaction of aqueous AgF solutions with the nonwettable crystalline surface of donor-type organic semiconductors. It is observed that the formation of a uniform layer of silver nanoparticles can be accomplished within 20 min contact time. The electrical characterization of two-terminal devices performed before and after the aforementioned treatment shows that the metal deposition process is associated with a redox reaction causing the p-doping of the semiconductor.

  6. Surface processing for bulk niobium superconducting radio frequency cavities

    NASA Astrophysics Data System (ADS)

    Kelly, M. P.; Reid, T.

    2017-04-01

    The majority of niobium cavities for superconducting particle accelerators continue to be fabricated from thin-walled (2–4 mm) polycrystalline niobium sheet and, as a final step, require material removal from the radio frequency (RF) surface in order to achieve performance needed for use as practical accelerator devices. More recently bulk niobium in the form of, single- or large-grain slices cut from an ingot has become a viable alternative for some cavity types. In both cases the so-called damaged layer must be chemically etched or electrochemically polished away. The methods for doing this date back at least four decades, however, vigorous empirical studies on real cavities and more fundamental studies on niobium samples at laboratories worldwide have led to seemingly modest improvements that, when taken together, constitute a substantial advance in the reproducibility for surface processing techniques and overall cavity performance. This article reviews the development of niobium cavity surface processing, and summarizes results of recent studies. We place some emphasis on practical details for real cavity processing systems which are difficult to find in the literature but are, nonetheless, crucial for achieving the good and reproducible cavity performance. New approaches for bulk niobium surface treatment which aim to reduce cost or increase performance, including alternate chemical recipes, barrel polishing and ‘nitrogen doping’ of the RF surface, continue to be pursued and are closely linked to the requirements for surface processing.

  7. Bulk charge carrier transport in push-pull type organic semiconductor.

    PubMed

    Karak, Supravat; Liu, Feng; Russell, Thomas P; Duzhko, Volodimyr V

    2014-12-10

    Operation of organic electronic and optoelectronic devices relies on charge transport properties of active layer materials. The magnitude of charge carrier mobility, a key efficiency metrics of charge transport properties, is determined by the chemical structure of molecular units and their crystallographic packing motifs, as well as strongly depends on the film fabrication approaches that produce films with different degrees of anisotropy and structural order. Probed by the time-of-flight and grazing incidence X-ray diffraction techniques, bulk charge carrier transport, molecular packing, and film morphology in different structural phases of push-pull type organic semiconductor, 7,7'-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl)bis(6-fluoro-4-(5'-hexyl-[2,2'-bithiophen]-5yl)benzo[c][1,2,5] thiadiazole), one of the most efficient small-molecule photovoltaic materials to-date, are described herein. In the isotropic phase, the material is ambipolar with high mobilities for a fluid state. The electron and hole mobilities at the phase onset at 210.78 °C are 1.0 × 10(-3) cm(2)/(V s) and 6.5 × 10(-4) cm(2)/(V s), respectively. Analysis of the temperature and electric field dependences of the mobilities in the framework of Gaussian disorder formalism suggests larger energetic and positional disorder for electron transport sites. Below 210 °C, crystallization into a polycrystalline film with a triclinic unit cell symmetry and high degree of anisotropy leads to a 10-fold increase of hole mobility. The mobility is limited by the charge transfer along the direction of branched alkyl side chains. Below 90 °C, faster cooling rates produce even higher hole mobilities up to 2 × 10(-2) cm(2)/(V s) at 25 °C because of the more isotropic orientations of crystalline domains. These properties facilitate in understanding efficient material performance in photovoltaic devices and will guide further development of materials and devices.

  8. Ultraviolet-Ozone Cleaning of Semiconductor Surfaces

    DTIC Science & Technology

    1992-10-01

    cleaning; (b) after UV/ozone cleaning. 4 3. Absorption spectrum of oxygen . 7 4. Absorption spectrum of ozone. 7 5. Schematic drawing of a UV/ozone...A clean glass surface was obtained after 15 hours of exposure to the UV radiation in air. In a vacuum system at 104 torr of oxygen , clean gold... oxygen . It took 60 minutes in 20 torr of oxygen , and no cleaning effect was observed in 1 torr after 60 minutes of cleaning (47). (It should be noted

  9. Ultraviolet-Ozone Cleaning of Semiconductor Surfaces

    DTIC Science & Technology

    1992-01-01

    to the UV radiation in air. In a vacuum system at 10-4 tort of oxygen , clean gold surfaces were produced after about two hours of UV exposure. During...torr of oxygen , and no cleaning effect was observed in 1 torr after 60 minutes of cleaning (46). (It should be noted, however, that the cleaning...source can be used as an "ozone killer." For example, in one cryopumped vacuum system, UV/ozone cleaning was performed in up to 20 torr of oxygen . After

  10. Surface and bulk contributions to nematic order reconstruction.

    PubMed

    Amoddeo, A; Barberi, R; Lombardo, G

    2012-06-01

    Nematic molecules confined in an asymmetric π cell and subjected to strong electric fields exhibit textural distortions involving nematic order variations, described by the Landau-de Gennes Q-tensor theory. We investigated the evolution of order variations as function of the applied electric pulse amplitude and of the nematic surface pretilt anchoring angles by implementing a Q-tensor model with a moving mesh finite element method. The proposed technique is able to clearly distinguish the bulk and the surface order reconstruction which occur in the cell.

  11. Visible light surface emitting semiconductor laser

    DOEpatents

    Olbright, Gregory R.; Jewell, Jack L.

    1993-01-01

    A vertical-cavity surface-emitting laser is disclosed comprising a laser cavity sandwiched between two distributed Bragg reflectors. The laser cavity comprises a pair of spacer layers surrounding one or more active, optically emitting quantum-well layers having a bandgap in the visible which serve as the active optically emitting material of the device. The thickness of the laser cavity is m .lambda./2n.sub.eff where m is an integer, .lambda. is the free-space wavelength of the laser radiation and n.sub.eff is the effective index of refraction of the cavity. Electrical pumping of the laser is achieved by heavily doping the bottom mirror and substrate to one conductivity-type and heavily doping regions of the upper mirror with the opposite conductivity type to form a diode structure and applying a suitable voltage to the diode structure. Specific embodiments of the invention for generating red, green, and blue radiation are described.

  12. Relaxation Models of the (110) Zinc-Blende III-V Semiconductor Surfaces: Density Functional Study

    SciTech Connect

    Ye, H.; Chen, G.; Wu, Y.; Zhu, Y.; Wei, S. H.

    2008-11-01

    Clean III-V zinc-blende (110) surfaces are the most extensively studied semiconductor surface. For conventional III-V compounds such as GaAs and InP, the surface relaxation follows a bond rotation relaxation model. However, for III-nitrides recent study indicates that they follow a bond-constricting relaxation model. First-principles atom relaxation calculations are performed to explore the origin of the difference between the two groups of materials. By analyzing the individual shift trends and ionic properties of the top layer anions and cations, we attribute the difference between the conventional and nitride III-V compounds to the strong electronegativity of N, which leads to the s{sup 2}p{sup 3} pyramid bond angle to be larger than the ideal one in bulk (109.5{sup o}). The general trends of the atomic relaxation at the III-nitrides (110) surfaces are explained.

  13. Probing surface recombination velocities in semiconductors using two-photon microscopy

    PubMed Central

    Gaury, Benoit; Haney, Paul M.

    2016-01-01

    The determination of minority-carrier lifetimes and surface recombination velocities is essential for the development of semiconductor technologies such as solar cells. The recent development of two-photon time-resolved microscopy allows for better measurements of bulk and subsurface interfaces properties. Here we analyze the diffusion problem related to this optical technique. Our three-dimensional treatment enables us to separate lifetime (recombination) from transport effects (diffusion) in the photoluminescence intensity. It also allows us to consider surface recombination occurring at a variety of geometries: a single plane (representing an isolated exposed or buried interface), two parallel planes (representing two inequivalent interfaces), and a spherical surface (representing the enclosing surface of a grain boundary). We provide fully analytical results and scalings directly amenable to data fitting, and apply those to experimental data collected on heteroepitaxial CdTe/ZnTe/Si. PMID:27182082

  14. Tapping of Love waves in an isotropic surface waveguide by surface-to-bulk wave transduction.

    NASA Technical Reports Server (NTRS)

    Tuan, H.-S.; Chang, C.-P.

    1972-01-01

    A theoretical study of tapping a Love wave in an isotropic microacoustic surface waveguide is given. The surface Love wave is tapped by partial transduction into a bulk wave at a discontinuity. It is shown that, by careful design of the discontinuity, the converted bulk wave power and the radiation pattern may be controlled. General formulas are derived for the calculation of these important characteristics from a relatively general surface contour deformation.

  15. Pump-probe surface photovoltage spectroscopy measurements on semiconductor epitaxial layers

    SciTech Connect

    Jana, Dipankar Porwal, S.; Sharma, T. K. Oak, S. M.; Kumar, Shailendra

    2014-04-15

    Pump-probe Surface Photovoltage Spectroscopy (SPS) measurements are performed on semiconductor epitaxial layers. Here, an additional sub-bandgap cw pump laser beam is used in a conventional chopped light geometry SPS setup under the pump-probe configuration. The main role of pump laser beam is to saturate the sub-bandgap localized states whose contribution otherwise swamp the information related to the bandgap of material. It also affects the magnitude of Dember voltage in case of semi-insulating (SI) semiconductor substrates. Pump-probe SPS technique enables an accurate determination of the bandgap of semiconductor epitaxial layers even under the strong influence of localized sub-bandgap states. The pump beam is found to be very effective in suppressing the effect of surface/interface and bulk trap states. The overall magnitude of SPV signal is decided by the dependence of charge separation mechanisms on the intensity of the pump beam. On the contrary, an above bandgap cw pump laser can be used to distinguish the signatures of sub-bandgap states by suppressing the band edge related feature. Usefulness of the pump-probe SPS technique is established by unambiguously determining the bandgap of p-GaAs epitaxial layers grown on SI-GaAs substrates, SI-InP wafers, and p-GaN epilayers grown on Sapphire substrates.

  16. Study on the nonlinear polarization rotation law in a bulk semiconductor optical amplifier in a pump-probe scheme

    NASA Astrophysics Data System (ADS)

    Feng, Xianghua; Ji, Jiarong; Dou, Wenhua; Zhang, Guomin

    2012-10-01

    The physical mechanisms for the polarization rotation of the light in a bulk semiconductor optical amplifier (SOA) originate from the significant nonuniform distributions of carrier density across the active region. Due to this carrier density's nonuniformity, the effective refractive indexes experienced by transverse-electric (TE) and transverse-magnetic (TM) modes of the probe are different. This results in a phase shift between TE and TM modes of the light upon leaving the SOA. The bulk SOA polarization rotation's law can be analyzed theoretically and experimentally based on the method of measuring output power in a pump-probe scheme. The experiment employs polarizer driving by walking electromotor and power meter, the light power of every orientation is measured. The transformation law of output polarization is find for obvious polarization rotation in other perpendicular axes based on connection of ellipse in difference axes.

  17. Enhanced infrared magneto-optical response of the nonmagnetic semiconductor BiTeI driven by bulk Rashba splitting.

    PubMed

    Demkó, L; Schober, G A H; Kocsis, V; Bahramy, M S; Murakawa, H; Lee, J S; Kézsmárki, I; Arita, R; Nagaosa, N; Tokura, Y

    2012-10-19

    We study the magneto-optical (MO) response of the polar semiconductor BiTeI with giant bulk Rashba spin splitting at various carrier densities. Despite being nonmagnetic, the material is found to yield a huge MO activity in the infrared region under moderate magnetic fields (up to 3 T). Our first-principles calculations show that the enhanced MO response of BiTeI comes mainly from the intraband transitions between the Rashba-split bulk conduction bands. These transitions connecting electronic states with opposite spin directions become active due to the presence of strong spin-orbit interaction and give rise to distinct features in the MO spectra with a systematic doping dependence. We predict an even more pronounced enhancement in the low-energy MO response and dc Hall effect near the crossing (Dirac) point of the conduction bands.

  18. Separation of surface and bulk minority-carrier lifetimes in silicon

    NASA Technical Reports Server (NTRS)

    Carroll, K. A.; Casper, K. J.

    1974-01-01

    A photoexcitation technique is suggested which is direct and convenient, requiring little special equipment. No change in the dimensions of the crystal sample is necessary. Although related to the technique of interposing a filter between the light source and the sample, it differs in that the filter is part of the crystal itself. Basically, one of the electrodes is split into two electrodes, one collecting charge from carriers excited in the bulk. This phenomenon in which the carriers follow very closely the electric field lines has been used in position-sensitive semiconductor radiation detectors (Norbeck and Carlson, 1963) but has not been applied to lifetime measurements. In a sense, the split electrode creates a sample without a surface.

  19. Hot electron dynamics at semiconductor surfaces: Implications for quantum dot photovoltaics

    NASA Astrophysics Data System (ADS)

    Tisdale, William A., III

    Finding a viable supply of clean, renewable energy is one of the most daunting challenges facing the world today. Solar cells have had limited impact in meeting this challenge because of their high cost and low power conversion efficiencies. Semiconductor nanocrystals, or quantum dots, are promising materials for use in novel solar cells because they can be processed with potentially inexpensive solution-based techniques and because they are predicted to have novel optoelectronic properties that could enable the realization of ultra-efficient solar power converters. However, there is a lack of fundamental understanding regarding the behavior of highly-excited, or "hot," charge carriers near quantum-dot and semiconductor interfaces, which is of paramount importance to the rational design of high-efficiency devices. The elucidation of these ultrafast hot electron dynamics is the central aim of this Dissertation. I present a theoretical framework for treating the electronic interactions between quantum dots and bulk semiconductor surfaces and propose a novel experimental technique, time-resolved surface second harmonic generation (TR-SHG), for probing these interactions. I then describe a series of experimental investigations into hot electron dynamics in specific quantum-dot/semiconductor systems. A two-photon photoelectron spectroscopy (2PPE) study of the technologically-relevant ZnO(1010) surface reveals ultrafast (sub-30fs) cooling of hot electrons in the bulk conduction band, which is due to strong electron-phonon coupling in this highly polar material. The presence of a continuum of defect states near the conduction band edge results in Fermi-level pinning and upward (n-type) band-bending at the (1010) surface and provides an alternate route for electronic relaxation. In monolayer films of colloidal PbSe quantum dots, chemical treatment with either hydrazine or 1,2-ethanedithiol results in strong and tunable electronic coupling between neighboring quantum dots

  20. Bulk and surface sensitivity of a resonant waveguide grating imager

    NASA Astrophysics Data System (ADS)

    Orgovan, Norbert; Kovacs, Boglarka; Farkas, Eniko; Szabó, Bálint; Zaytseva, Natalya; Fang, Ye; Horvath, Robert

    2014-02-01

    We report the assessment of the sensitivity of a microplate-compatible resonant waveguide grating imager. The sensitivity to bulk refractive index changes was determined using a serial dilution of glycerol solution with the help of a refractometer. The surface sensitivity was examined using layer-by-layer polyelectrolyte films in conjunction with optical waveguide lightmode spectroscopy and characterized by the binding of acetazolamide to immobilized carbonic anhydrase under microfluidics. The results suggest that the imager has a limit of detection down to 2.2 × 10-6 for refractive index change and 0.078 ng/cm2 for the adsorbed mass.

  1. Investigation of Surface Breakdown on Semiconductor Devices Using Optical Probing Techniques.

    DTIC Science & Technology

    1990-01-01

    18] L. Bovino , T. Burke, R. Youmans, M. Weiner, and J. Car, r, "Recent Advances in Optically C’ntrolled Bulk Semiconductor Switches," Digest of...Comp. Simul. 5 (3), 175 (1988). [321 M. Weiner, L. Bovino , R. Youmans, and T. Burke, "Modeling of the Optically Conrolled Semiconductor Switch," J

  2. Time domain terahertz spectroscopy of semiconductor bulk and multiple quantum wells structures

    NASA Astrophysics Data System (ADS)

    Chen, Yue

    A time-domain terahertz spectroscopic system with high source power (average power > 10 nW) and high signal-to- noise ratio (>104) was developed and used to study ultrafast electronic processes in semiconductor structures. The physics of the spectroscopy, the theoretical basis of the interferometry, the model of the electron-electromagnetic field interaction, and the principle of experimental data processing are presented. The first direct measurement of the intervalley scattering time in In 0.53Ga0.47As was performed. The intervalley scattering time constants obtained were τLΓ = 35 fs and τLΓ = 450 fs. The spectroscopic data showed that at low carrier density the carrier- carrier scattering is unimportant. The intervalley deformation potential was obtained from the measured intervalley scattering time constant τ LΓ. The transient conductivity was obtained using time-domain terahertz spectroscopy. The frequency dependent terahertz spectroscopy enabled us to uniquely determine the transient mobility and density. The transient electron mobility is ~5200 cm2/Vs, which is less than the Hall mobility. For large photocarrier densities, this discrepancy is attributed to the additional momentum relaxation associated with electron-hole scattering. Using pump pulses with wavelength of 810 run, the electron trapping time in low-temperature-grown GaAs was accurately determined. The measured trapping time is slightly larger than that observed from a band-edge pump- probe measurements. We argue that the terahertz technique provides the most reliable measure of carrier lifetime due to the unique interaction. The carrier dynamics of low-temperature-grown InGaAs bulk and InGaAs/InAlAs multiple quantum wells were investigated. We were able to differentiate the two dominant mechanisms in the electron decay process, trapping and recombination. A trapping time as fast as 1.3-2.6 ps was observed for photo-excited electrons. The effects of Be-doping and growth temperature on the

  3. Adhesion: role of bulk viscoelasticity and surface roughness.

    PubMed

    Lorenz, B; Krick, B A; Mulakaluri, N; Smolyakova, M; Dieluweit, S; Sawyer, W G; Persson, B N J

    2013-06-05

    We study the adhesion between smooth polydimethylsiloxane (PDMS) rubber balls and smooth and rough poly(methyl methacrylate) (PMMA) surfaces, and between smooth silicon nitride balls and smooth PDMS surfaces. From the measured viscoelastic modulus of the PDMS rubber we calculate the viscoelastic contribution to the crack-opening propagation energy γeff(v,T) for a wide range of crack tip velocities v and for several temperatures T. The Johnson-Kendall-Roberts (JKR) contact mechanics theory is used to analyze the ball pull-off force data, and γeff(v,T) is obtained for smooth and rough surfaces. We conclude that γeff(v,T) has contributions of similar magnitude from both the bulk viscoelastic energy dissipation close to the crack tip, and from the bond-breaking process at the crack tip. The pull-off force on the rough surfaces is strongly reduced compared to that of the flat surface, which we attribute mainly to the decrease in the area of contact on the rough surfaces.

  4. Surface and Bulk Carbide Transformations in High-Speed Steel

    NASA Astrophysics Data System (ADS)

    Godec, M.; Večko Pirtovšek, T.; Šetina Batič, B.; McGuiness, P.; Burja, J.; Podgornik, B.

    2015-11-01

    We have studied the transformation of carbides in AISI M42 high-speed steels in the temperature window used for forging. The annealing was found to result in the partial transformation of the large, metastable M2C carbides into small, more stable grains of M6C, with an associated change in the crystal orientation. In addition, MC carbides form during the transformation of M2C to M6C. From the high-speed-steel production point of view, it is beneficial to have large, metastable carbides in the cast structure, which later during annealing, before the forging, transform into a structure of polycrystalline carbides. Such carbides can be easily decomposed into several small carbides, which are then randomly distributed in the microstructure. The results also show an interesting difference in the carbide-transformation reactions on the surface versus the bulk of the alloy, which has implications for in-situ studies of bulk phenomena that are based on surface observations.

  5. Surface and Bulk Carbide Transformations in High-Speed Steel.

    PubMed

    Godec, M; Večko Pirtovšek, T; Šetina Batič, B; McGuiness, P; Burja, J; Podgornik, B

    2015-11-05

    We have studied the transformation of carbides in AISI M42 high-speed steels in the temperature window used for forging. The annealing was found to result in the partial transformation of the large, metastable M2C carbides into small, more stable grains of M6C, with an associated change in the crystal orientation. In addition, MC carbides form during the transformation of M2C to M6C. From the high-speed-steel production point of view, it is beneficial to have large, metastable carbides in the cast structure, which later during annealing, before the forging, transform into a structure of polycrystalline carbides. Such carbides can be easily decomposed into several small carbides, which are then randomly distributed in the microstructure. The results also show an interesting difference in the carbide-transformation reactions on the surface versus the bulk of the alloy, which has implications for in-situ studies of bulk phenomena that are based on surface observations.

  6. Surface and Bulk Carbide Transformations in High-Speed Steel

    PubMed Central

    Godec, M.; Večko Pirtovšek, T.; Šetina Batič, B.; McGuiness, P.; Burja, J.; Podgornik, B.

    2015-01-01

    We have studied the transformation of carbides in AISI M42 high-speed steels in the temperature window used for forging. The annealing was found to result in the partial transformation of the large, metastable M2C carbides into small, more stable grains of M6C, with an associated change in the crystal orientation. In addition, MC carbides form during the transformation of M2C to M6C. From the high-speed-steel production point of view, it is beneficial to have large, metastable carbides in the cast structure, which later during annealing, before the forging, transform into a structure of polycrystalline carbides. Such carbides can be easily decomposed into several small carbides, which are then randomly distributed in the microstructure. The results also show an interesting difference in the carbide-transformation reactions on the surface versus the bulk of the alloy, which has implications for in-situ studies of bulk phenomena that are based on surface observations. PMID:26537780

  7. Bulk and surface calorimetric measurements at CO wavelengths.

    PubMed

    Allen, S D; Rudisill, J E

    1977-11-01

    Laser calorimetry was used to measure the optical absorption of several candidate window materials for application at CO laser wavelengths. These materials include KCl, CaF(2), SrF(2), and ZnSe. The long, thin bar technique was used to separate bulk and surface absorption contributions by means of their time dependencies. One sample of KCl, known to be low absorbing at 10.6 microm, exhibited no measurable absorption within the sensitivity of the calorimeter (beta(t) < 2 x 10(-6) cm(-1)). The absorption coefficients measured for two samples of CaF(2) at 5.41 microm were higher than those measured by other investigators at 5.25 microm, but, when fitted to an exponential dependence on wavelength, compared favorably with currently measured values. To compare results from different laboratories, precise definition of the spectral power distribution is essential. The surface absorption was, in all cases, small relative to similar measurements at 10.6 microm; in several cases it was not separable from bulk absorption by the technique used.

  8. Applications of surface acoustic and shallow bulk acoustic wave devices

    NASA Astrophysics Data System (ADS)

    Campbell, Colin K.

    1989-10-01

    Surface acoustic wave (SAW) device coverage includes delay lines and filters operating at selected frequencies in the range from about 10 MHz to 11 GHz; modeling with single-crystal piezoelectrics and layered structures; resonators and low-loss filters; comb filters and multiplexers; antenna duplexers; harmonic devices; chirp filters for pulse compression; coding with fixed and programmable transversal filters; Barker and quadraphase coding; adaptive filters; acoustic and acoustoelectric convolvers and correlators for radar, spread spectrum, and packet radio; acoustooptic processors for Bragg modulation and spectrum analysis; real-time Fourier-transform and cepstrum processors for radar and sonar; compressive receivers; Nyquist filters for microwave digital radio; clock-recovery filters for fiber communications; fixed-, tunable-, and multimode oscillators and frequency synthesizers; acoustic charge transport; and other SAW devices for signal processing on gallium arsenide. Shallow bulk acoustic wave device applications include gigahertz delay lines, surface-transverse-wave resonators employing energy-trapping gratings, and oscillators with enhanced performance and capability.

  9. Tailoring GaN semiconductor surfaces with biomolecules.

    PubMed

    Estephan, Elias; Larroque, Christian; Cuisinier, Frédéric J G; Bálint, Zoltán; Gergely, Csilla

    2008-07-24

    Functionalization of semiconductors constitutes a crucial step in using these materials for various electronic, photonic, biomedical, and sensing applications. Within the various possible approaches, selection of material-binding biomolecules from a random biological library, based on the natural recognition of proteins or peptides toward specific material, offers many advantages, most notably biocompatibility. Here we report on the selective functionalization of GaN, an important semiconductor that has found broad uses in the past decade due to its efficient electroluminescence and pronounced chemical stability. A 12-mer peptide ("GaN_probe") with specific recognition for GaN has evolved. The subtle interplay of mostly nonpolar hydrophobic and some polar amino acidic residues defines the high affinity adhesion properties of the peptide. The interaction forces between the peptide and GaN are quantified, and the hydrophobic domain of the GaN_probe is identified as primordial for the binding specificity. These nanosized binding blocks are further used for controlled placement of biotin-streptavidin complexes on the GaN surface. Thus, the controlled grow of a new, patterned inorganic-organic hybrid material is achieved. Tailoring of GaN by biological molecules can lead to a new class of nanostructured semiconductor-based devices.

  10. Surface and bulk hot electron dynamics in silicon

    NASA Astrophysics Data System (ADS)

    Jeong, Seongtae; Bokor, Jeffrey

    1997-03-01

    The direct time domain study of hot electron dynamics on the silicon surface has been an active area of research. Dynamics in Si(100) surface states was observed(M.W. Rowe, H. Liu, G. P. Williams, Jr., and R. T. Williams, Phys. Rev. B 47, 2048 (1993)) as well as cooling of a hot but thermal distribution of carriers in bulk silicon(J. R. Goldman, and J. A. Prybyla, Phys. Rev. Lett. 72, 1364 (1994)). In this work, a time-resolved photoemission study on the Si(100)2x1 surface with 1.55 eV pump and 4.66 eV probe with 0.2 psec time resolution is reported. It is observed that two-photon absorption is responsible for high kinetic energy electrons above the conduction band minimum (CBM) but direct single-photon excitation into surface states and conduction band states followed by the surface recombination dominates the dynamics. Also observed are an early nonthermal electronic distribution in silicon and its transition into a thermal one followed by a rapid cooling.

  11. Theory of surfactant-mediated growth on semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Kaxiras, Efthimios; Kandel, Daniel

    1996-08-01

    The surfactant effect, first demonstrated by Copel et al. [Phys. Rev. Lett. 63 (1989) 632] by using As to promote epitaxial growth of Ge on Si(100), has now been studied in a wide variety of systems, thus making systematic studies possible. We present theoretical models that account for the observed behavior of various surfactants on semiconductor surfaces, including homo-epitaxial and hetero-epitaxial growth. The theoretical models include first-principles calculations of the relative energy of different structures associated with surfactant layers and the activation energies for diffusion and exchange mechanisms, as well as solid-on-solid Monte Carlo simulations.

  12. Electron microscopy techniques for evaluating epitaxial and bulk III-V compound semiconductors

    SciTech Connect

    Frigeri, C.

    1996-12-01

    Electron microscopy is an important technique to study interfaces and microdefects in advanced III-V compound semiconductors. The paper briefly reviews some of the TEM methods used to this purpose and shows examples of their application to the characterization of epitaxial structures such as InGaAs/GaAs and GaAs/Ge as well as processed substrates like implanted InP.

  13. Transport Imaging: Developing an Optical Technique to Characterize Bulk Semiconductor Materials for Next Generation Radiation Detectors

    DTIC Science & Technology

    2009-06-01

    OF PAGES 79 14. SUBJECT TERMS Cathodoluminescence, Diffusion , Drift, Mobility, Lifetime, Bismuth Ferrite , BiFeO3 , Semiconductor, Transport...migrate or diffuse from a region of high concentration to low concentration. The diffusion coefficient (D) quantifies the diffusivity of a material...The diffusion coefficient is found using the Einstein relation kTD e μ = where k is Boltzmann’s constant, T is the temperature, e is the charge

  14. The role of strain in the surface structures of III-V alloyed semiconductor films

    NASA Astrophysics Data System (ADS)

    Bickel, Jessica E.

    As length scales continue to decrease, it is vital to understand the fundamental physical parameters governing surfaces and surface interactions. In semiconductors particularly, surface reconstructions are known to impact film growth, bulk atomic ordering and the development of interfacial structure, all of which can drastically impact device growth. While the parameters that determine surface reconstructions in homoepitaxially grown films are well known and understood, those that impact alloy film growth are less studied. This work examines the impact of strain on alloy surface reconstructions, using the III-V semiconductors as a model system for any covalently bonded crystal structure. The presence of surface reconstruction coexistence in both mixed cation and mixed anion systems suggests that localized strain fields on alloy surfaces stabilize elastic relaxation at boundaries, resulting in more complex surface structures than those seen on binary, unstrained films. Atomic size mismatch strain is shown to induce an ordering in alloyed surface reconstructions that is not seen in the non-alloyed constituent surfaces. Lattice mismatch strain is shown to both stabilize new reconstructions not common to the homoepitaxial system and to induce surface reconstruction coexistence on alloy surfaces. The supplied flux of material is shown to affect the kinetics of transformation between the two coexisting surface reconstructions and an incorporation model for material on the alloy surface is developed. The effects of strained surface reconstructions on subsequent film growth is explored and it is shown that identical films grown on two different surfaces have very different strain relaxation profiles, surface topographies and defect structures. The strain fields of surface reconstructions and defects are also shown to interact which may have an impact on the insertion of dislocations in these films. Combined together, this deep understanding of the role that alloy induced

  15. Nonequilibrium optical properties in semiconductors from first principles: A combined theoretical and experimental study of bulk silicon

    NASA Astrophysics Data System (ADS)

    Sangalli, Davide; Dal Conte, Stefano; Manzoni, Cristian; Cerullo, Giulio; Marini, Andrea

    2016-05-01

    The calculation of the equilibrium optical properties of bulk silicon by using the Bethe-Salpeter equation solved in the Kohn-Sham basis represents a cornerstone in the development of an ab-initio approach to the optical and electronic properties of materials. Nevertheless, calculations of the transient optical spectrum using the same efficient and successful scheme are scarce. We report, here, a joint theoretical and experimental study of the transient reflectivity spectrum of bulk silicon. Femtosecond transient reflectivity is compared to a parameter-free calculation based on the nonequilibrium Bethe-Salpeter equation. By providing an accurate description of the experimental results we disclose the different phenomena that determine the transient optical response of a semiconductor. We give a parameter-free interpretation of concepts such as bleaching, photoinduced absorption, and stimulated emission, beyond the Fermi golden rule. We also introduce the concept of optical gap renormalization, as a generalization of the known mechanism of band gap renormalization. The present scheme successfully describes the case of bulk silicon, showing its universality and accuracy.

  16. Light scattering from human corneal grafts: Bulk and surface contribution

    NASA Astrophysics Data System (ADS)

    Latour, Gaël; Georges, Gaëlle; Lamoine, Laure Siozade; Deumié, Carole; Conrath, John; Hoffart, Louis

    2010-09-01

    The cornea is the only transparent tissue in the body. The transparency is the main characteristic of the corneal tissue, and depends not only on the transmission coefficient but also on the losses by scattering and absorption. The scattering properties of the cornea tissues become one of the most important parameters in the case of the corneal graft. These scattering properties are studied in this paper in the reflected half area, similar to the diagnosis configuration. We quantify the influence of the cornea thickness and of the epithelial layer on scattering level. The technique of ellipsometry on scattered field is also used to analyze the polarization properties in order to determine the origin of scattering (surface and/or bulk).

  17. Coupling of Surface Plasmons and Semiconductor Nanocrystals for Nanophotonics Applications

    NASA Astrophysics Data System (ADS)

    Jayanti, Sriharsha V.

    The goal of this thesis is to engineer the interaction between surface plasmons and semiconductor nanocrystals for nanophotonic applications. Plasmonic metals support surface plasmon polaritons, hybrid photon and electron waves that propagate along a metal-dielectric interface. Unlike photons, surface plasmons can be confined in sub-diffraction geometries. This has two important consequences: 1) optical devices can be designed at the nanoscale, and 2) the high density of electromagnetic fields allows study of enhanced light-matter interactions. Surface plasmons have been exploited to demonstrate components of optoelectronic circuits, optical antennas, surface enhanced spectroscopy, enhanced fluorescence from fluorophores, and nanolasers. Despite the advances, surface plasmon losses limit their propagation lengths to tens of micrometers in the visible wavelengths, hindering many applications. Recently, the template-stripping approach was shown to fabricate metal films that exhibit larger grains and smoother surface, reducing the grain boundary and roughness scattering. To further improve the plasmonic properties, we investigate the importance of deposition conditions in the template-stripping approach. We provide insight and recipes to enhance the plasmonic performance of the most commonly used metals in the ultraviolet, visible, and near-infrared. We also explore the potential of low temperatures to improve the performance of metal films, where the electron-electron and electron-phonon scattering should be reduced. This sets a limit on the minimum loss metals can exhibit. Using this knowledge, we study the optical properties of quantum-confined semiconductor nanocrystals near metal structures. Semiconductor nanocrystals have many attractive characteristics that make them suitable for solid-state lighting and solar cells among others. Specifically, CdSe nanocrystals have been heavily studied for their large absorption and emission cross-sections, size dependent

  18. Semiconductor-to-metal transition in the bulk of WSe2 upon potassium intercalation

    NASA Astrophysics Data System (ADS)

    Ahmad, Mushtaq; Müller, Eric; Habenicht, Carsten; Schuster, Roman; Knupfer, Martin; Büchner, Bernd

    2017-04-01

    We present electron energy-loss spectroscopic measurements of potassium (K) intercalated tungsten diselenide (WSe2). After exposure of pristine WSe2 films to potassium, we observe a charge carrier plasmon excitation at about 0.97 eV, which indicates a semiconductor-to-metal transition. Our data reveal the formation of one particular doped K-WSe2 phase. A Kramers–Kronig analysis allows the determination of the dielectric function and the estimation of the composition of K0.6WSe2. Momentum dependent measurements reveal a substantial plasmon dispersion to higher energies.

  19. Semiconductor-to-metal transition in the bulk of WSe2 upon potassium intercalation.

    PubMed

    Ahmad, Mushtaq; Müller, Eric; Habenicht, Carsten; Schuster, Roman; Knupfer, Martin; Büchner, Bernd

    2017-04-26

    We present electron energy-loss spectroscopic measurements of potassium (K) intercalated tungsten diselenide (WSe2). After exposure of pristine WSe2 films to potassium, we observe a charge carrier plasmon excitation at about 0.97 eV, which indicates a semiconductor-to-metal transition. Our data reveal the formation of one particular doped K-WSe2 phase. A Kramers-Kronig analysis allows the determination of the dielectric function and the estimation of the composition of K0.6WSe2. Momentum dependent measurements reveal a substantial plasmon dispersion to higher energies.

  20. Modeling direct band-to-band tunneling: From bulk to quantum-confined semiconductor devices

    SciTech Connect

    Carrillo-Nuñez, H.; Ziegler, A.; Luisier, M.; Schenk, A.

    2015-06-21

    A rigorous framework to study direct band-to-band tunneling (BTBT) in homo- and hetero-junction semiconductor nanodevices is introduced. An interaction Hamiltonian coupling conduction and valence bands (CVBs) is derived using a multiband envelope method. A general form of the BTBT probability is then obtained from the linear response to the “CVBs interaction” that drives the system out of equilibrium. Simple expressions in terms of the one-electron spectral function are developed to compute the BTBT current in two- and three-dimensional semiconductor structures. Additionally, a two-band envelope equation based on the Flietner model of imaginary dispersion is proposed for the same purpose. In order to characterize their accuracy and differences, both approaches are compared with full-band, atomistic quantum transport simulations of Ge, InAs, and InAs-Si Esaki diodes. As another numerical application, the BTBT current in InAs-Si nanowire tunnel field-effect transistors is computed. It is found that both approaches agree with high accuracy. The first one is considerably easier to conceive and could be implemented straightforwardly in existing quantum transport tools based on the effective mass approximation to account for BTBT in nanodevices.

  1. Photoinduced "stick-slip" on superhydrophilic semiconductor surfaces.

    PubMed

    Denison, Kieth R; Boxall, Colin

    2007-04-10

    Transparent mesoporous TiO2 (M-TiO2) thin films were prepared on quartz via a reverse micelle, sol-gel, spin-coating technique. Films were characterized by atomic force microscopy (AFM) and Raman and UV-vis spectroscopies and were found to be mostly anatase with low surface roughness (Rt approximately 5 nm). The time dependence of film photoinduced superhydrophilicity (PISH) was measured by observation of the spreading of a sessile water drop using a new, continuous measurement technique wherein the drop was first applied to the semiconductor surface and then was filmed while it and the underlying substrate were illuminated by 315 nm ultraband gap light. Results obtained at 100% relative humidity (RH) at 293 K showed that drops on M-TiO2 surfaces exhibited a photoinduced "stick-slip" behavior, the first time such an effect has been observed. The thermodynamic driving force for this photoinduced stick-slip was the departure of the system from capillary equilibrium as, with increasing illumination time, the concentration of surface Ti-OH groups increased and the equilibrium contact angle of the drop, theta0, decreased. A simple theoretical description of photoinduced stick-slip is derived and is used to calculate a value of the potential energy barrier associated with surface inhomogeneities that oppose onset of movement of the triple line, U = 6.63 x 10(-6) J m(-1). This is the first time that U has been quantified for a surface with photoinduced superhydrophilicity. Triple line retreat measurements on an evaporating drop on M-TiO2 in the dark, RH = 60%, T = 293 K, gave a value of U = 9.4 x 10(-6) J m(-1), indicating that U decreases upon UV illumination and that U in the light is primarily associated with inhomogeneities that are unaffected by an increase in the surface Ti-OH population, such as the physical roughness of the surface. In the dark evaporation experiment, the drop was found to retreat with an areal velocity of 1.48 x 10(-8) m2 s(-1). However, under UV

  2. Towards p × n transverse thermoelectrics: extreme anisotropic conduction in bulk doped semiconductor thin films via proton implantation

    NASA Astrophysics Data System (ADS)

    Tang, Yang; Koblmüller, G.; Riedl, H.; Grayson, M.

    2016-03-01

    Transverse thermoelectrics promise entirely new strategies for integrated cooling elements for optoelectronics. The recently introduced p × n-type transverse thermoelectric paradigm indicates that the most important step to engineering artificial transverse thermoelectrics is to create alternate p- and n-doped layers with orthogonally oriented anisotropic conductivity. This paper studies an approach to creating extreme anisotropic conductivity in bulk-doped semiconductor thin films via ion implantation. This approach defines an array of parallel conduction channels with photolithographic patterning of an SiO2 mask layer, followed by proton implantation. With a 10 μm channel width and 20 μm pitch, both n-type and p-type Al0.42 Ga0.58As thin films demonstrate a conductivity anisotropy ratio σ /σ⊥ > 104 at room temperature, while the longitudinal resistivity along the channel direction after implantation only increased by a factor of 3.3 ˜ 3.6. This approach can be readily adapted to other semiconductor materials for artificial p × n-type transverse thermoelectrics as other applications.

  3. Free Surface Properties of III-V Compound Semiconductor Surfaces.

    DTIC Science & Technology

    1980-06-01

    Review of Modern Physics Vol. 42 #3 July 1980, p. 317. 2. A. Kahn, G. Cisneros, M. Bonn, P. Mark and C.B. Duke, Surface Science 71, 387 (1978). 3. A...Kahn, E. So, P. Mark , C.B. Duke, J. Vac. Sci. Technol. 15, 580 (1978). 4. R.J. Meyer, C.B. Duke, A. Paton, A. Kahn, E. So, P. Mark , Phys. Rev. B19 (1979...Yeh, J. Tsang, A. Kahn, P. Mark , Phys. Rev. (to be published). 7. E. So, Ph.D. Dissertation, Princeton University, Department of Electrical Engineering

  4. Effect of surface modification on semiconductor nanocrystal fluorescence lifetime.

    PubMed

    Ruedas-Rama, Maria J; Orte, Angel; Hall, Elizabeth A H; Alvarez-Pez, Jose M; Talavera, Eva M

    2011-04-04

    Semiconductor nanocrystals, namely, quantum dots (QDs), present a set of unique photoluminescence properties, which has led to increased interest in using them as advantageous alternatives to conventional organic dyes. Many applications of QDs involve surface modification to enhance the solubility or biocompatibility of the QDs. One of the least exploited properties of QDs is the very long photoluminescence lifetime that usually has complex kinetics owing to the effect of quantum confinement. Herein, we describe the effect of different surface modifications on the photoluminescence decay kinetics of QDs. The different surface modifications were carefully chosen to provide lipophilic or water-soluble QDs with either positive or negative surface net charges. We also survey the effect on the QD lifetime of several ligands that interact with the QD surface, such as organic chromophores or fluorescent proteins. The results obtained demonstrate that time-resolved fluorescence is a useful tool for QD-based sensing to set the basis for the development of time-resolved-based nanosensors.

  5. The use of bulk states to accelerate the band edge statecalculation of a semiconductor quantum dot

    SciTech Connect

    Vomel, Christof; Tomov, Stanimire Z.; Wang, Lin-Wang; Marques,Osni A.; Dongarra, Jack J.

    2006-05-10

    We present a new technique to accelerate the convergence of the folded spectrum method in empirical pseudopotential band edge state calculations for colloidal quantum dots. We use bulk band states of the materials constituent of the quantum dot to construct initial vectors and a preconditioner. We apply these to accelerate the convergence of the folded spectrum method for the interior states at the top of the valence and the bottom of the conduction band. For large CdSe quantum dots, the number of iteration steps until convergence decreases by about a factor of 4 compared to previous calculations.

  6. Semiconductor meta-surface based perfect light absorber.

    PubMed

    Liu, Guiqiang; Nie, Yiyou; Fu, Guolan; Liu, Xiaoshan; Liu, Yi; Tang, Li; Liu, Zhengqi

    2017-04-21

    We numerically proposed and demonstrated a semiconductor meta-surface light absorber, which consists of a silicon patches array on a silicon thin-film and an opaque silver substrate. The Mie resonances of the silicon patches and the fundamental cavity mode of the ultra-thin silicon film couple strongly to the incident optical field, leading to a multi-band perfect absorption. The maximal absorption is above 99.5% and the absorption is polarization-independent. Moreover, the absorption behavior is scalable in the frequency region via tuning the structural parameters. These features hold the absorber platform with wide applications in optoelectronics such as hot-electron excitation and photo-detection.

  7. Note: All solid-state high repetitive sub-nanosecond risetime pulse generator based on bulk gallium arsenide avalanche semiconductor switches.

    PubMed

    Hu, Long; Su, Jiancang; Ding, Zhenjie; Hao, Qingsong; Fan, Yajun; Liu, Chunliang

    2016-08-01

    An all solid-state high repetitive sub-nanosecond risetime pulse generator featuring low-energy-triggered bulk gallium arsenide (GaAs) avalanche semiconductor switches and a step-type transmission line is presented. The step-type transmission line with two stages is charged to a potential of 5.0 kV also biasing at the switches. The bulk GaAs avalanche semiconductor switch closes within sub-nanosecond range when illuminated with approximately 87 nJ of laser energy at 905 nm in a single pulse. An asymmetric dipolar pulse with peak-to-peak amplitude of 9.6 kV and risetime of 0.65 ns is produced on a resistive load of 50 Ω. A technique that allows for repetition-rate multiplication of pulse trains experimentally demonstrated that the parallel-connected bulk GaAs avalanche semiconductor switches are triggered in sequence. The highest repetition rate is decided by recovery time of the bulk GaAs avalanche semiconductor switch, and the operating result of 100 kHz of the generator is discussed.

  8. Anomalous acoustoelectric effect in semiconductor layered structures using separated medium configuration

    NASA Astrophysics Data System (ADS)

    Abedin, M. N.; Strashilov, V. L.; Das, P.

    1990-01-01

    An anomalous acoustoelectric effect is observed in semiconductor layered structures and bulk semiconductors due to semiconductor surface conditions. We report preliminary results of this effect in semiconductors using the nondestructive surface acoustic wave (SAW) technique. The magnitude and polarity of the acoustoelectric voltages in GaAs/AlAs superlattices exhibit strong SAW frequency dependencies, a phenomenon that is not observed in bulk semiconductors. The anomalous acoustoelectric voltage (AAV) is detected in high electron mobility transistor (HEMT) and also bulk semiconductors as a function of bias voltage.

  9. Influence of the side chain and substrate on polythiophene thin film surface, bulk, and buried interfacial structures.

    PubMed

    Xiao, Minyu; Jasensky, Joshua; Zhang, Xiaoxian; Li, Yaoxin; Pichan, Cayla; Lu, Xiaolin; Chen, Zhan

    2016-08-10

    The molecular structures of organic semiconducting thin films mediate the performance of various devices composed of such materials. To fully understand how the structures of organic semiconductors alter on substrates due to different polymer side chains and different interfacial interactions, thin films of two kinds of polythiophene derivatives with different side-chains, poly(3-hexylthiophene) (P3HT) and poly(3-potassium-6-hexanoate thiophene) (P3KHT), were deposited and compared on various surfaces. A combination of analytical tools was applied in this research: contact angle goniometry and X-ray photoelectron spectroscopy (XPS) were used to characterize substrate dielectric surfaces with varied hydrophobicity for polymer film deposition; X-ray diffraction and UV-vis spectroscopy were used to examine the polythiophene film bulk structure; sum frequency generation (SFG) vibrational spectroscopy was utilized to probe the molecular structures of polymer film surfaces in air and buried solid/solid interfaces. Both side-chain hydrophobicity and substrate hydrophobicity were found to mediate the crystallinity of the polythiophene film, as well as the orientation of the thiophene ring within the polymer backbone at the buried polymer/substrate interface and the polymer thin film surface in air. For the same type of polythiophene film deposited on different substrates, a more hydrophobic substrate surface induced thiophene ring alignment with the surface normal at both the buried interface and on the surface in air. For different films (P3HT vs. P3KHT) deposited on the same dielectric substrate, a more hydrophobic polythiophene side chain caused the thiophene ring to align more towards the surface at the buried polymer/substrate interface and on the surface in air. We believe that the polythiophene surface, bulk, and buried interfacial molecular structures all influence the hole mobility within the polythiophene film. Successful characterization of an organic conducting

  10. Localized photovoltaic investigations on organic semiconductors and bulk heterojunction solar cells

    PubMed Central

    Kollender, Jan Philipp; Gasiorowski, Jacek; Sariciftci, Niyazi Serdar; Mardare, Andrei Ionut; Hassel, Achim Walter

    2014-01-01

    Newly synthesized organic electronics materials are often available in submicrogram amounts only. Photoelectrochemical scanning droplet cell microscopy is a powerful method that allows a comprehensive characterisation of such small amounts including oxidation, reduction potentials, doping, determination of charge carriers, band gap, charge capacity, over-oxidation sensitivity and many more. Localized photoelectrochemical characterization of the poly[4,8-bis-substituted-benzo[1,2-b:4,5-b0]dithiophene-2,6-diyl-alt-4-substituted-thieno [3,4-b] thiophene-2,6-diyl] (PBDTTT-c) and PBDTTT-c:PCBM bulk heterojunction was performed using photoelectrochemical scanning droplet cell microscopy (PE-SDCM). The optical properties and the real and imaginary part of the dielectric function, of the polymer were determined using spectroscopic ellipsometry. The photoelectrochemical characterizations were performed in a three and two electrode configuration of PE-SDCM under laser and white light illumination. The effect of illumination was characterized using dark/illumination sequences. The stability of the photocurrent was studied using longer term (600 s) illumination. Finally the effect of cell configuration and illumination conditions on the photovoltage was studied. PMID:27877711

  11. Stability analysis and simulations of coupled bulk-surface reaction–diffusion systems

    PubMed Central

    Madzvamuse, Anotida; Chung, Andy H. W.; Venkataraman, Chandrasekhar

    2015-01-01

    In this article, we formulate new models for coupled systems of bulk-surface reaction–diffusion equations on stationary volumes. The bulk reaction–diffusion equations are coupled to the surface reaction–diffusion equations through linear Robin-type boundary conditions. We then state and prove the necessary conditions for diffusion-driven instability for the coupled system. Owing to the nature of the coupling between bulk and surface dynamics, we are able to decouple the stability analysis of the bulk and surface dynamics. Under a suitable choice of model parameter values, the bulk reaction–diffusion system can induce patterning on the surface independent of whether the surface reaction–diffusion system produces or not, patterning. On the other hand, the surface reaction–diffusion system cannot generate patterns everywhere in the bulk in the absence of patterning from the bulk reaction–diffusion system. For this case, patterns can be induced only in regions close to the surface membrane. Various numerical experiments are presented to support our theoretical findings. Our most revealing numerical result is that, Robin-type boundary conditions seem to introduce a boundary layer coupling the bulk and surface dynamics. PMID:25792948

  12. Toward understanding the electrical properties of metal/semiconductor Schottky contacts: The effects of barrier inhomogeneities and geometry in bulk and nanoscale structures

    NASA Astrophysics Data System (ADS)

    Sarpatwari, Karthik

    The work presented in this thesis comprises of two parts. Part I deals with Schottky contacts to the wide bandgap (WBG) semiconductors SiC, GaN and ZnO. These semiconductors offer great promise for a wide variety of electronic and optoelectronic applications. Schottky barriers to WBG semiconductors are attractive in particular for high temperature/high power diodes, photodetectors, and gas sensors. However, the Schottky barriers exhibit non-ideal behavior, due in part to inhomogeneities originating from immature crystal growth and device processing technologies. Apart from being a versatile electronic component, the Schottky diode is a valuable test structure. The Schottky contact is routinely used to probe substrate and epilayer quality by different electrical characterization techniques. It is well established that the current-voltage-temperature ( I-V-T) characteristics of Schottky contacts are routinely affected by the presence of barrier height inhomogeneities (BHI). Consequently, Schottky diode parameters such as the Schottky barrier height and the Richardson constant extracted using the I-V-T measurements can deviate from their actual values. The effects of BHI on the extracted Schottky barrier height have been studied in the literature. However, the effects of BHI on the Richardson constant have not been thoroughly explored and are the focus of the first part of this thesis. Based on the inhomogeneous Schottky barrier model provided by Tung, a new method for the extraction of the Richardson constant is developed. The new method is applied to the Richardson constant determination of n-type ZnO and GaN. Excellent agreement with the theoretical value is obtained in both cases. The advent of the nanoelectronics era has resulted in the Schottky contact evolving from the relatively simple, planar structure into a more complex structure. Compared to bulk Schottky contacts, the Schottky barrier properties are expected to be widely different at the nanoscale. For

  13. Terahertz surface plasmon polaritons on a semiconductor surface structured with periodic V-grooves.

    PubMed

    Li, Shanshan; Jadidi, Mohammad M; Murphy, Thomas E; Kumar, Gagan

    2013-03-25

    We demonstrate propagation of terahertz waves confined to a semiconductor surface that is periodically corrugated with V-shaped grooves. A one-dimensional array of V-grooves is fabricated on a highly-doped silicon surface, using anisotropic wet-etching of crystalline silicon, thereby forming a plasmonic waveguide. Terahertz time domain spectroscopy is used to characterize the propagation of waves near the corrugated surface. We observe that the grating structure creates resonant modes that are confined near the surface. The degree of confinement and frequency of the resonant mode is found to be related to the pitch and depth of the V-grooves. The surface modes are confirmed through both numerical simulations and experimental measurements. Not only does the V-groove geometry represent a new and largely unexplored structure for supporting surface waves, but it also enables the practical fabrication of terahertz waveguides directly on semiconductor surfaces, without relying on reactive-ion etching or electroplating of sub-millimeter metallic surfaces.

  14. Surface-segregated monolayers: a new type of ordered monolayer for surface modification of organic semiconductors.

    PubMed

    Wei, Qingshuo; Tajima, Keisuke; Tong, Yujin; Ye, Shen; Hashimoto, Kazuhito

    2009-12-09

    We report a new type of ordered monolayer for the surface modification of organic semiconductors. Fullerene derivatives with fluorocarbon chains ([6,6]-phenyl-C(61)-buryric acid 1H,1H-perfluoro-1-alkyl ester or FC(n)) spontaneously segregated as a monolayer on the surface of a [6,6]-phenyl-C(61)-butyric acid methyl ester (PCBM) film during a spin-coating process from the mixture solutions, as confirmed by X-ray photoelectron spectroscopy (XPS). Ultraviolet photoelectron spectroscopy (UPS) showed the shift of ionization potentials (IPs) depending on the fluorocarbon chain length, indicating the formation of surface dipole moments. Surface-sensitive vibrational spectroscopy, sum frequency generation (SFG) revealed the ordered molecular orientations of the C(60) moiety in the surface FC(n) layers. The intensity of the SFG signals from FC(n) on the surface showed a clear odd-even effect when the length of the fluorocarbon chain was changed. This new concept of the surface-segregated monolayer provides a facile and versatile approach to modifying the surface of organic semiconductors and is applicable to various organic optoelectronic devices.

  15. Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states.

    PubMed

    Bilc, Daniel I; Hautier, Geoffroy; Waroquiers, David; Rignanese, Gian-Marco; Ghosez, Philippe

    2015-04-03

    Thermoelectrics are promising for addressing energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the thermal conductivity but less by maximizing the power factor. The latter imposes apparently conflicting requirements on the band structure: a narrow energy distribution and a low effective mass. Quantum confinement in nanostructures and the introduction of resonant states were suggested as possible solutions to this paradox, but with limited success. Here, we propose an original approach to fulfill both requirements in bulk semiconductors. It exploits the highly directional character of some orbitals to engineer the band structure and produce a type of low-dimensional transport similar to that targeted in nanostructures, while retaining isotropic properties. Using first-principle calculations, the theoretical concept is demonstrated in Fe2YZ Heusler compounds, yielding power factors 4 to 5 times larger than in classical thermoelectrics at room temperature. Our findings are totally generic and rationalize the search of alternative compounds with similar behavior. Beyond thermoelectricity, these might be relevant also in the context of electronic, superconducting, or photovoltaic applications.

  16. Atomically Flat Surfaces Developed for Improved Semiconductor Devices

    NASA Technical Reports Server (NTRS)

    Powell, J. Anthony

    2001-01-01

    New wide bandgap semiconductor materials are being developed to meet the diverse high temperature, -power, and -frequency demands of the aerospace industry. Two of the most promising emerging materials are silicon carbide (SiC) for high-temperature and high power applications and gallium nitride (GaN) for high-frequency and optical (blue-light-emitting diodes and lasers) applications. This past year Glenn scientists implemented a NASA-patented crystal growth process for producing arrays of device-size mesas whose tops are atomically flat (i.e., step-free). It is expected that these mesas can be used for fabricating SiC and GaN devices with major improvements in performance and lifetime. The promising new SiC and GaN devices are fabricated in thin-crystal films (known as epi films) that are grown on commercial single-crystal SiC wafers. At this time, no commercial GaN wafers exist. Crystal defects, known as screw defects and micropipes, that are present in the commercial SiC wafers propagate into the epi films and degrade the performance and lifetime of subsequently fabricated devices. The new technology isolates the screw defects in a small percentage of small device-size mesas on the surface of commercial SiC wafers. This enables atomically flat surfaces to be grown on the remaining defect-free mesas. We believe that the atomically flat mesas can also be used to grow GaN epi films with a much lower defect density than in the GaN epi films currently being grown. Much improved devices are expected from these improved low-defect epi films. Surface-sensitive SiC devices such as Schottky diodes and field effect transistors should benefit from atomically flat substrates. Also, we believe that the atomically flat SiC surface will be an ideal surface on which to fabricate nanoscale sensors and devices. The process for achieving atomically flat surfaces is illustrated. The surface steps present on the "as-received" commercial SiC wafer is also illustrated. because of the

  17. Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

    SciTech Connect

    Lollobrigida, V.; Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Borgatti, F.; Torelli, P.; Panaccione, G.; Tortora, L.; Stefani, G.; Offi, F.

    2014-05-28

    We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

  18. Surface chemistry on semiconductors studied by molecular-beam reactive scattering

    NASA Astrophysics Data System (ADS)

    Yu, Ming L.; DeLouise, Lisa A.

    1994-01-01

    This Report reviews the use of molecular-beam reactive scattering to study the surface reactions of gas molecules on semiconductors which have relevance to microelectronic technologies. Modern semiconductor fabrication techniques rely heavily on dry processes where gas-surface reactions are the basic premise. This article focuses on the use of supersonic molecular-beam-surface scattering to study the dynamics and kinetics of surface reactions connected with the growth and etching processes on semiconductor surfaces. The discussion on growth processes covers the oxidation of silicon and germanium, the tungsten-hexafluoride-based tungsten deposition, and the organometallic chemical vapor deposition of gallium arsenide. The discussion on etching processes covers the halogen-based etching of gallium arsenide and silicon. An overview of the experimental technique and the underlying principles in surface-reaction dynamics and kinetics is included for readers in the technology area. The potential use of the molecular beams for actual semiconductor materials processing is also discussed.

  19. Bulk and surface controlled diffusion of fission gas atoms

    SciTech Connect

    Andersson, Anders D.

    2012-08-09

    Fission gas retention and release impact nuclear fuel performance by, e.g., causing fuel swelling leading to mechanical interaction with the clad, increasing the plenum pressure and reducing the gap thermal conductivity. All of these processes are important to understand in order to optimize operating conditions of nuclear reactors and to simulate accident scenarios. Most fission gases have low solubility in the fuel matrix, which is especially pronounced for large fission gas atoms such as Xe and Kr, and as a result there is a significant driving force for segregation of gas atoms to extended defects such as grain boundaries or dislocations and subsequently for nucleation of gas bubbles at these sinks. Several empirical or semi-empirical models have been developed for fission gas release in nuclear fuels, e.g. [1-6]. One of the most commonly used models in fuel performance codes was published by Massih and Forsberg [3,4,6]. This model is similar to the early Booth model [1] in that it applies an equivalent sphere to separate bulk UO{sub 2} from grain boundaries represented by the sphere circumference. Compared to the Booth model, it also captures trapping at grain boundaries, fission gas resolution and it describes release from the boundary by applying timedependent boundary conditions to the circumference. In this work we focus on the step where fission gas atoms diffuse from the grain interior to the grain boundaries. The original Massih-Forsberg model describes this process by applying an effective diffusivity divided into three temperature regimes. In this report we present results from density functional theory calculations (DFT) that are relevant for the high (D{sub 3}) and intermediate (D{sub 2}) temperature diffusivities of fission gases. The results are validated by making a quantitative comparison to Turnbull's [8-10] and Matzke's data [12]. For the intrinsic or high temperature regime we report activation energies for both Xe and Kr diffusion in UO

  20. Sub-nanometer resolution of an organic semiconductor crystal surface using friction force microscopy in water.

    PubMed

    Pimentel, Carlos; Varghese, Shinto; Yoon, Seong-Jun; Park, Soo Young; Gierschner, Johannes; Gnecco, Enrico; Pina, Carlos M

    2016-04-06

    Organic semiconductors (OSC) are attracting much interest for (opto)electronic applications, such as photovoltaics, LEDs, sensors or solid state lasers. In particular, crystals formed by small π-conjugated molecules have shown to be suitable for constructing OSC devices. However, the (opto)electronic properties are complex since they depend strongly on both the mutual orientation of molecules as well as the perfection of bulk crystal surfaces. Hence, there is an urgent need to control nano-topographic OSC features in real space. Here we show that friction force microscopy in water is a very suitable technique to image the free surface morphology of an OSC single crystal (TDDCS) with sub-nanometer resolution. We demonstrate the power of the method by direct correlation to the structural information extracted from combined single crystal (SC-) and specular (s-) XRD studies, which allows us to identify the pinning centers encountered in the stick-slip motion of the probing tip with the topmost methyl groups on the TDDCS surface.

  1. A multi-scale approach to the electronic structure of doped semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Sinai, Ofer; Hofmann, Oliver T.; Rinke, Patrick; Scheffler, Matthias; Heimel, Georg; Kronik, Leeor

    2015-03-01

    The inclusion of the global effects of semiconductor doping poses a unique challenge for first-principles simulations, because the typically low concentration of dopants renders an explicit treatment intractable. Furthermore, the width of the space-charge region (SCR) at charged surfaces often exceeds realistic supercell dimensions. We present a multi-scale technique that addresses these difficulties. It is based on the introduction of excess charge, mimicking free charge carriers from the SCR, along with a fixed sheet of counter-charge mimicking the SCR-related field. Self-consistency is obtained by imposing charge conservation and Fermi level equilibration between the bulk, treated semi-classically, and the electronic states of the slab/surface, which are treated quantum-mechanically. The method, called CREST - the Charge-Reservoir Electrostatic Sheet Technique - can be used with standard electronic structure codes. We validate CREST using a simple tight-binding model, which allows for comparison of its results with calculations encompassing the full SCR explicitly. We then employ it with density functional theory, obtaining insight into the doping dependence of the electronic structures of the metallic clean-cleaved Si(111) surface and its semiconducting (2x1) reconstructions.

  2. Observing the interplay between surface and bulk optical nonlinearities in thin van der Waals crystals

    PubMed Central

    Deckoff-Jones, Skylar; Zhang, Jingjing; Petoukhoff, Christopher E.; Man, Michael K.L.; Lei, Sidong; Vajtai, Robert; Ajayan, Pulickel M.; Talbayev, Diyar; Madéo, Julien; Dani, Keshav M.

    2016-01-01

    Van der Waals materials, existing in a range of thicknesses from monolayer to bulk, allow for interplay between surface and bulk nonlinearities, which otherwise dominate only at atomically-thin or bulk extremes, respectively. Here, we observe an unexpected peak in intensity of the generated second harmonic signal versus the thickness of Indium Selenide crystals, in contrast to the quadratic increase expected from thin crystals. We explain this by interference effects between surface and bulk nonlinearities, which offer a new handle on engineering the nonlinear optical response of 2D materials and their heterostructures. PMID:26936437

  3. Observing the interplay between surface and bulk optical nonlinearities in thin van der Waals crystals

    NASA Astrophysics Data System (ADS)

    Deckoff-Jones, Skylar; Zhang, Jingjing; Petoukhoff, Christopher E.; Man, Michael K. L.; Lei, Sidong; Vajtai, Robert; Ajayan, Pulickel M.; Talbayev, Diyar; Madéo, Julien; Dani, Keshav M.

    2016-03-01

    Van der Waals materials, existing in a range of thicknesses from monolayer to bulk, allow for interplay between surface and bulk nonlinearities, which otherwise dominate only at atomically-thin or bulk extremes, respectively. Here, we observe an unexpected peak in intensity of the generated second harmonic signal versus the thickness of Indium Selenide crystals, in contrast to the quadratic increase expected from thin crystals. We explain this by interference effects between surface and bulk nonlinearities, which offer a new handle on engineering the nonlinear optical response of 2D materials and their heterostructures.

  4. Tunable Surface Plasmon and Phonon Polariton Interactions for Moderately Doped Semiconductor Surfaces

    PubMed Central

    Janipour, Mohsen; Misirlioglu, Ibrahim Burc; Sendur, Kursat

    2016-01-01

    Spatial charge distribution for biased semiconductors fundamentally differs from metals since they can allow inhomogeneous charge distributions due to penetration of the electric field, as observed in the classical Schottky junctions. Similarly, the electrostatics of the dielectric/semiconductor interface can lead to a carrier depletion or accumulation in the semiconductor side when under applied bias. In this study, we demonstrate that the inhomogeneous carrier accumulation in a moderately p-doped GaAs–dielectric interface can be tailored for tunable plasmonics by an external voltage. Solving Maxwell’s equations in the doped GaAs-dielectric stack, we investigate the tunability of the surface plasmon and phonon polaritons’ interaction via an external bias. The plasmonic mode analysis of such an interface reveals interesting dispersion curves for surface plasmon and phonon polariton interactions that are not possible in metals. We show that the plasmon dispersion curve can be engineered through an external bias using the inherent properties of the p-doped GaAs– dielectric interface. PMID:27698393

  5. Tunable Surface Plasmon and Phonon Polariton Interactions for Moderately Doped Semiconductor Surfaces

    NASA Astrophysics Data System (ADS)

    Janipour, Mohsen; Misirlioglu, Ibrahim Burc; Sendur, Kursat

    2016-10-01

    Spatial charge distribution for biased semiconductors fundamentally differs from metals since they can allow inhomogeneous charge distributions due to penetration of the electric field, as observed in the classical Schottky junctions. Similarly, the electrostatics of the dielectric/semiconductor interface can lead to a carrier depletion or accumulation in the semiconductor side when under applied bias. In this study, we demonstrate that the inhomogeneous carrier accumulation in a moderately p-doped GaAs–dielectric interface can be tailored for tunable plasmonics by an external voltage. Solving Maxwell’s equations in the doped GaAs-dielectric stack, we investigate the tunability of the surface plasmon and phonon polaritons’ interaction via an external bias. The plasmonic mode analysis of such an interface reveals interesting dispersion curves for surface plasmon and phonon polariton interactions that are not possible in metals. We show that the plasmon dispersion curve can be engineered through an external bias using the inherent properties of the p-doped GaAs– dielectric interface.

  6. Investigation of Semiconductor Surface Structure by Transmission Ion Channeling.

    NASA Astrophysics Data System (ADS)

    Lyman, Paul Francis

    The primary thrust of this dissertation is the investigation of the composition and structure of two important surface systems on Si, and the study of how this structure evolves under the influence of ion bombardment or film growth. I have studied the initial stages of oxidation of Si immediately following removal of a surface oxide by an HF etch. I have also studied the structure of Ge deposited on clean Si(100) at low temperatures. These systems are of considerable technological interest, but were chosen because they naturally pose fundamental questions regarding physical and chemical processes at surfaces. In the study of the oxidation of Si, I have focused on the influence of the bombarding ion beam in altering the structure and composition of the surface layer. Thus, the system then provides a natural vehicle to study ion-induced chemistry. In the study of low-temperature growth of Ge, I have focused on the structure of the Ge layer and the evolution of that structure upon further deposition or upon heating. This simple system is a model one for observing strained semiconductor heteroepitaxial growth. The primary probe for these studies was transmission channeling of MeV ions. The sensitivity of this technique to correlations between the substrate and an overlayer allowed us to make the following observations. The O, Si and H bound in the thin oxide formed after an HF etch and H_2O rinse occupy preferred positions with respect to the Si matrix. Upon ion bombardment, the O further reacts with the Si (the reaction proceeds linearly with the ion fluence) and the portion of the H that is uncorrelated to the substrate is preferentially desorbed. For the case of Ge growth on Si(100)-(2 x 1) at room temperature, a substantial fraction of the Ge films is strained to occupy sites having the lattice constant of the Si substrate (pseudomorphic growth). A model for film growth is proposed in which pseudomorphic domains constitute roughly half of the Ge films up to a

  7. Application of PECVD for bulk and surface passivation of high efficiency silicon solar cells

    SciTech Connect

    Krygowski, T.; Doshi, P.; Cai, L.; Doolittle, A.; Rohatgi, A.

    1995-08-01

    Plasma enhanced chemical vapor deposition (PECVD) passivation of bulk and surface defects has been shown to be an important technique to improve the performance of multicrystalline silicon (mc-Si) and single crystalline silicon solar cells. In this paper, we report the status of our on-going investigation into the bulk and surface passivation properties of PECVD insulators for photovoltaic applications. The objective of this paper is to demonstrate the ability of PECVD films to passivate the front (emitter) surface, bulk, and back surface by proper tailoring of deposition and post-PECVD annealing conditions.

  8. Bulk crystal growth, and high-resolution x-ray diffraction results of LiZnP semiconductor material

    NASA Astrophysics Data System (ADS)

    Montag, Benjamin W.; Reichenberger, Michael A.; Sunder, Madhana; Ugorowski, Philip B.; Nelson, Kyle A.; McGregor, Douglas S.

    2015-06-01

    Nowotny-Juza compounds continue to be explored as a candidate for solid-state neutron detectors. Such a device would have greater efficiency, in a compact form, than present day gas-filled 3He and 10BF3 detectors. The 6Li(n,t)4He reaction yields a total Q-value of 4.78 MeV, larger than 10B, an energy easily identified above background radiations. Hence, devices fabricated from semiconducting compounds containing either natural Li (nominally 7.5% 6Li) or enriched 6Li (usually 95% 6Li) may provide a semiconductor material for compact high efficiency neutron detectors. Starting material was synthesized by preparing equimolar portions of Li, Zn, and P sealed under vacuum (10-6 Torr) in quartz ampoules lined with boron nitride and subsequently reacted in a compounding furnace [1]. The synthesized material showed signs of high impurity levels from material and electrical property characterizations. A static vacuum sublimation in quartz was performed to help purify the synthesized material [2]. Bulk crystalline samples were grown from the purified material. An ingot 9.6 mm in diameter and 4.0 mm in length was harvested. Individual samples were characterized for crystallinity on a Bruker AXS Inc. D2 CRYSO, energy dispersive x-ray diffractometer, and a Bruker AXS D8 DISCOVER, high-resolution x-ray diffractometer with a 0.004° beam divergence. The (220) orientation was characterized as the main orientation with the D2 CRYSO, and confirmed with the D8 DISCOVER. An out-of-plane high-resolution rocking curve yielded a 0.417° full width at half maximum (FWHM) for the (220) LiZnP. In-plane ordering was confirmed by observation of the (311) orientation, where a rocking curve was collected with a FWHM of 0.294°.

  9. Photoprecursor Approach Enables Preparation of Well-Performing Bulk-Heterojunction Layers Comprising a Highly Aggregating Molecular Semiconductor.

    PubMed

    Suzuki, Mitsuharu; Yamaguchi, Yuji; Takahashi, Kohei; Takahira, Katsuya; Koganezawa, Tomoyuki; Masuo, Sadahiro; Nakayama, Ken-ichi; Yamada, Hiroko

    2016-04-06

    Active-layer morphology critically affects the performance of organic photovoltaic cells, and thus its optimization is a key toward the achievement of high-efficiency devices. However, the optimization of active-layer morphology is sometimes challenging because of the intrinsic properties of materials such as strong self-aggregating nature or low miscibility. This study postulates that the "photoprecursor approach" can serve as an effective means to prepare well-performing bulk-heterojunction (BHJ) layers containing highly aggregating molecular semiconductors. In the photoprecursor approach, a photoreactive precursor compound is solution-deposited and then converted in situ to a semiconducting material. This study employs 2,6-di(2-thienyl)anthracene (DTA) and [6,6]-phenyl-C71-butyric acid methyl ester as p- and n-type materials, respectively, in which DTA is generated by the photoprecursor approach from the corresponding α-diketone-type derivative DTADK. When only chloroform is used as a cast solvent, the photovoltaic performance of the resulting BHJ films is severely limited because of unfavorable film morphology. The addition of a high-boiling-point cosolvent, o-dichlorobenzene (o-DCB), to the cast solution leads to significant improvement such that the resulting active layers afford up to approximately 5 times higher power conversion efficiencies. The film structure is investigated by two-dimensional grazing-incident wide-angle X-ray diffraction, atomic force microscopy, and fluorescence microspectroscopy to demonstrate that the use of o-DCB leads to improvement in film crystallinity and increase in charge-carrier generation efficiency. The change in film structure is assumed to originate from dynamic molecular motion enabled by the existence of solvent during the in situ photoreaction. The unique features of the photoprecursor approach will be beneficial in extending the material and processing scopes for the development of organic thin-film devices.

  10. Generation of terahertz radiation by a surface ballistic photocurrent in semiconductors under subpicosecond laser excitation

    SciTech Connect

    Ziaziulia, P. A.; Malevich, V. L.; Manak, I. S.; Krotkus, A.

    2012-02-15

    An analytical model describing the onset of a surface ballistic photocurrent in cubic semiconductors under femtosecond laser excitation is proposed. It is shown that the contribution of the photocurrent component parallel to the surface to the generation of terahertz pulses may be comparable to the contribution of the perpendicular component. Consideration of the cubic symmetry of a semiconductor leads to the azimuthal anisotropy of terahertz generation.

  11. Bulk and surface laser damage of silica by picosecond and nanosecond pulses at 1064 nm.

    PubMed

    Smith, Arlee V; Do, Binh T

    2008-09-10

    We measured bulk and surface dielectric breakdown thresholds of pure silica for 14 ps and 8 ns pulses of 1064 nm light. The thresholds are sharp and reproducible. For the 8 ns pulses the bulk threshold irradiance is 4.75 +/- 0.25 kW/microm2. The threshold is approximately three times higher for 14 ps pulses. For 8 ns pulses the input surface damage threshold can be made equal to the bulk threshold by applying an alumina or silica surface polish.

  12. Surface to bulk Fermi arcs via Weyl nodes as topological defects

    PubMed Central

    Kim, Kun Woo; Lee, Woo-Ram; Kim, Yong Baek; Park, Kwon

    2016-01-01

    A hallmark of Weyl semimetal is the existence of surface Fermi arcs. An intriguing question is what determines the connectivity of surface Fermi arcs, when multiple pairs of Weyl nodes are present. To answer this question, we show that the locations of surface Fermi arcs are predominantly determined by the condition that the Zak phase integrated along the normal-to-surface direction is . The Zak phase can reveal the peculiar topological structure of Weyl semimetal directly in the bulk. Here, we show that the winding of the Zak phase around each projected Weyl node manifests itself as a topological defect of the Wannier–Stark ladder, energy eigenstates under an electric field. Remarkably, this leads to bulk Fermi arcs, open-line segments in the bulk spectra. Bulk Fermi arcs should exist in conjunction with surface counterparts to conserve the Weyl fermion number under an electric field, which is supported by explicit numerical evidence. PMID:27845342

  13. Surface to bulk Fermi arcs via Weyl nodes as topological defects

    NASA Astrophysics Data System (ADS)

    Kim, Kun Woo; Lee, Woo-Ram; Kim, Yong Baek; Park, Kwon

    2016-11-01

    A hallmark of Weyl semimetal is the existence of surface Fermi arcs. An intriguing question is what determines the connectivity of surface Fermi arcs, when multiple pairs of Weyl nodes are present. To answer this question, we show that the locations of surface Fermi arcs are predominantly determined by the condition that the Zak phase integrated along the normal-to-surface direction is . The Zak phase can reveal the peculiar topological structure of Weyl semimetal directly in the bulk. Here, we show that the winding of the Zak phase around each projected Weyl node manifests itself as a topological defect of the Wannier-Stark ladder, energy eigenstates under an electric field. Remarkably, this leads to bulk Fermi arcs, open-line segments in the bulk spectra. Bulk Fermi arcs should exist in conjunction with surface counterparts to conserve the Weyl fermion number under an electric field, which is supported by explicit numerical evidence.

  14. Wavelength-resonant surface-emitting semiconductor laser

    DOEpatents

    Brueck, Steven R. J.; Schaus, Christian F.; Osinski, Marek A.; McInerney, John G.; Raja, M. Yasin A.; Brennan, Thomas M.; Hammons, Burrell E.

    1989-01-01

    A wavelength resonant semiconductor gain medium is disclosed. The essential feature of this medium is a multiplicity of quantum-well gain regions separated by semiconductor spacer regions of higher bandgap. Each period of this medium consisting of one quantum-well region and the adjacent spacer region is chosen such that the total width is equal to an integral multiple of 1/2 the wavelength in the medium of the radiation with which the medium is interacting. Optical, electron-beam and electrical injection pumping of the medium is disclosed. This medium may be used as a laser medium for single devices or arrays either with or without reflectors, which may be either semiconductor or external.

  15. 40 CFR 761.265 - Sampling bulk PCB remediation waste and porous surfaces.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ..., DISTRIBUTION IN COMMERCE, AND USE PROHIBITIONS Cleanup Site Characterization Sampling for PCB Remediation Waste in Accordance with § 761.61(a)(2) § 761.265 Sampling bulk PCB remediation waste and porous surfaces... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Sampling bulk PCB remediation...

  16. Organic functionalization of group IV semiconductor surfaces: principles, examples, applications, and prospects

    NASA Astrophysics Data System (ADS)

    Bent, Stacey F.

    2002-03-01

    Organic functionalization is emerging as an important area in the development of new semiconductor-based materials and devices. Direct, covalent attachment of organic layers to a semiconductor interface provides for the incorporation of many new properties, including lubrication, optical response, chemical sensing, or biocompatibility. Methods by which to incorporate organic functionality to the surfaces of semiconductors have seen immense progress in recent years, and in this article several of these approaches are reviewed. Examples are included from both dry and wet processing environments. The focus of the article is on attachment strategies that demonstrate the molecular nature of the semiconductor surface. In many cases, the surfaces mimic the reactivity of their molecular carbon or organosilane counterparts, and examples of functionalization reactions are described in which direct analogies to textbook organic and inorganic chemistry can be applied. This article addresses the expected impact of these functionalization strategies on emerging technologies in nanotechnology, sensing, and bioengineering.

  17. Semiconductor with protective surface coating and method of manufacture thereof. [Patent application

    DOEpatents

    Hansen, W.L.; Haller, E.E.

    1980-09-19

    Passivation of predominantly crystalline semiconductor devices is provided for by a surface coating of sputtered hydrogenated amorphous semiconductor material. Passivation of a radiation detector germanium diode, for example, is realized by sputtering a coating of amorphous germanium onto the etched and quenched diode surface in a low pressure atmosphere of hydrogen and argon. Unlike prior germanium diode semiconductor devices, which must be maintained in vacuum at cryogenic temperatures to avoid deterioration, a diode processed in the described manner may be stored in air at room temperature or otherwise exposed to a variety of environmental conditions. The coating compensates for pre-existing undesirable surface states as well as protecting the semiconductor device against future impregnation with impurities.

  18. - and Mesoscopic Soft Condensed Matter Architectures on Semiconductor Surfaces

    NASA Astrophysics Data System (ADS)

    Samuilov, Vladimir; Seo, Young-Soo; Ksenevich, Vitaly; Galibert, Jean; Sokolov, John; Rafailovich, Miriam

    2003-03-01

    A novel and simple approach of self-organized fabrication of two dimensional mesoscopic networks with the feature size down to 50 nm has been developed. The technique is based on the self-organized patterning in a thin layer of complex liquid (polymer solution) in the presence of humid atmosphere. Two dimensional mesoscopic honeycomb-shaped carbon structures were produced by high temperature annealing of nitrocellulose precursors [1]. The polymer network was also utilized as a mask for further reactive ion etching of surfaces with epi-layer of GaAs [2,3] and GaAs/AlGaAs ? -doped heterostructures [4]. The electrical transport in the obtained structures was studied in a temperature range from 1.9 to 300 K and in pulsed magnetic fields up to 35 T. A crossover from the Mott variable range hopping to the Colomb-gap Efros-Shklovskii variable range hopping has been observed experimentally in mesoscopic carbon structures [1]. At low fields, ln(R/R0) is proportional to B2. In the intermediate range, the magnetoresistance is linear on B. At high temperatures, if the hopping distance is comparable to the localization length, the observed small negative magnetoresistance in our samples is consistent to the weak-localization picture. Magnetoresistance of patterned GaAs/AlGaAs ?-doped structures is negative [4], which is relater to quantum interference in hopping regime. At B=0, the resistance showed typical behavior of a two-dimensional hopping. Below about 20 K, the data followed the Mott variable-range-hopping mechanism for two dimensions. Also, we have used diblock-copolymer system, self-assembled with L-B technique, to produce nano-patterns. These structures were utilized as templates for introducing metal nanopatterns on semiconductor surfaces by reactive ion beam etching for magnetic storage systems [5] and DNA separation on a flat surface [6] devices. 1. V.A. Samuilov, J. Galibert, V.K. Ksenevich, V.J. Goldman, M. Rafailovich, J. Sokolov, I.A. Bashmakov, V.A. Dorosinets

  19. Reliability of AlGaN/GaN high electron mobility transistors on low dislocation density bulk GaN substrate: Implications of surface step edges

    SciTech Connect

    Killat, N. E-mail: Martin.Kuball@bristol.ac.uk; Montes Bajo, M.; Kuball, M. E-mail: Martin.Kuball@bristol.ac.uk; Paskova, T.; Evans, K. R.; Leach, J.; Li, X.; Özgür, Ü.; Morkoç, H.; Chabak, K. D.; Crespo, A.; Gillespie, J. K.; Fitch, R.; Kossler, M.; Walker, D. E.; Trejo, M.; Via, G. D.; Blevins, J. D.

    2013-11-04

    To enable gaining insight into degradation mechanisms of AlGaN/GaN high electron mobility transistors, devices grown on a low-dislocation-density bulk-GaN substrate were studied. Gate leakage current and electroluminescence (EL) monitoring revealed a progressive appearance of EL spots during off-state stress which signify the generation of gate current leakage paths. Atomic force microscopy evidenced the formation of semiconductor surface pits at the failure location, which corresponds to the interaction region of the gate contact edge and the edges of surface steps.

  20. Surface dynamics dominated by bulk thermal defects -- the case of NiAl (110).

    SciTech Connect

    Nobel, J. A.; McCarty, Kevin F.; Bartelt, Norman Charles

    2004-09-01

    We find that small temperature changes cause steps on the NiAl(110) surface to move. We show that this step motion occurs because mass is transferred between the bulk and the surface as the concentration of bulk thermal defects (i.e., vacancies) changes with temperature. Since the change in an island's area with a temperature change is found to scale strictly with the island's step length, the thermally generated defects are created (annihilated) very near the surface steps. To quantify the bulk/surface exchange, we oscillate the sample temperature and measure the amplitude and phase lag of the system response, i.e., the change in an island's area normalized to its perimeter. Using a one-dimensional model of defect diffusion through the bulk in a direction perpendicular to the surface, we determine the migration and formation energies of the bulk thermal defects. During surface smoothing, we show that there is no flow of material between islands on the same terrace and that all islands in a stack shrink at the same rate. We conclude that smoothing occurs by mass transport through the bulk of the crystal rather than via surface diffusion. Based on the measured relative sizes of the activation energies for island decay, defect migration, and defect formation, we show that attachment/detachment at the steps is the rate-limiting step in smoothing.

  1. Laboratory Experiment in Semiconductor Surface-Field Effects

    ERIC Educational Resources Information Center

    Goodman, F. R.; And Others

    1974-01-01

    A laboratory instructional program involving metal-insulator-semiconductor (MIS) devices is described. In the first of a two-part experiment, students become familiar with the important parameters of a simple MIS device and learn measurement techniques; in the second part, device fabrication procedures are learned. (DT)

  2. A cochlear implant fabricated using a bulk silicon-surface micromachining process

    NASA Astrophysics Data System (ADS)

    Bell, Tracy Elizabeth

    1999-11-01

    This dissertation presents the design and fabrication of two generations of a silicon microelectrode array for use in a cochlear implant. A cochlear implant is a device that is inserted into the inner ear and uses electrical stimulation to provide sound sensations to the profoundly deaf. The first-generation silicon cochlear implant is a passive device fabricated using silicon microprobe technology developed at the University of Michigan. It contains twenty-two iridium oxide (IrO) stimulating sites that are 250 mum in diameter and spaced at 750 mum intervals. In-vivo recordings were made in guinea pig auditory cortex in response to electrical stimulation with this device, verifying its ability to electrically evoke an auditory response. Auditory thresholds as low as 78 muA were recorded. The second-generation implant is a thirty-two site, four-channel device with on-chip CMOS site-selection circuitry and integrated position sensing. It was fabricated using a novel bulk silicon surface micromachining process which was developed as a part of this dissertation work. While the use of semiconductor technology offers many advantages in fabricating cochlear implants over the methods currently used, it was felt that even further advantages could be gained by developing a new micromachining process which would allow circuitry to be distributed along the full length of the cochlear implant substrate. The new process uses electropolishing of an n+ bulk silicon sacrificial layer to undercut and release n- epitaxial silicon structures from the wafer. An extremely abrupt etch-stop between the n+ and n- silicon is obtained, with no electropolishing taking place in the n-type silicon that is doped lower than 1 x 1017 cm-3 in concentration. Lateral electropolishing rates of up to 50 mum/min were measured using this technique, allowing one millimeter-wide structures to be fully undercut in as little as 10 minutes. The new micromachining process was integrated with a standard p

  3. Improving the Bulk Formula for Sea-Surface Fluxes

    DTIC Science & Technology

    2011-03-14

    weak SST heterogeneity. J. Geophys. Res, 115, D11103,doi:10.1029/2009JD013161. Vickers D and L. Mahrt 2010: Sea-surface roughness lengths in the midlatitude coastal zone. Quart. J. Roy. Meterol. Soc. 136, 1089 -1093.

  4. Contactless nondestructive measurement of bulk and surface recombination using frequency-modulated free carrier absorption

    NASA Astrophysics Data System (ADS)

    Sanii, F.; Giles, F. P.; Schwartz, R. J.; Gray, J. L.

    1992-03-01

    A measurement procedure is described which allows the contactless measurement of bulk lifetime and surface recombination. The procedure uses the the free-carrier absorption of a long-wavelength laser beam by a modulated free-carrier wave to measure and separate the bulk recombination from the surface recombination. The dependence of the absorption on the modulation frequency is used to accomplish the separation. Limitations of the technique are also discussed.

  5. Reverse Non-Equilibrium Molecular Dynamics Demonstrate That Surface Passivation Controls Thermal Transport at Semiconductor-Solvent Interfaces.

    PubMed

    Hannah, Daniel C; Gezelter, J Daniel; Schaller, Richard D; Schatz, George C

    2015-06-23

    We examine the role played by surface structure and passivation in thermal transport at semiconductor/organic interfaces. Such interfaces dominate thermal transport in semiconductor nanomaterials owing to material dimensions much smaller than the bulk phonon mean free path. Utilizing reverse nonequilibrium molecular dynamics simulations, we calculate the interfacial thermal conductance (G) between a hexane solvent and chemically passivated wurtzite CdSe surfaces. In particular, we examine the dependence of G on the CdSe slab thickness, the particular exposed crystal facet, and the extent of surface passivation. Our results indicate a nonmonotonic dependence of G on ligand-grafting density, with interfaces generally exhibiting higher thermal conductance for increasing surface coverage up to ∼0.08 ligands/Å(2) (75-100% of a monolayer, depending on the particular exposed facet) and decreasing for still higher coverages. By analyzing orientational ordering and solvent penetration into the ligand layer, we show that a balance of competing effects is responsible for this nonmonotonic dependence. Although the various unpassivated CdSe surfaces exhibit similar G values, the crystal structure of an exposed facet nevertheless plays an important role in determining the interfacial thermal conductance of passivated surfaces, as the density of binding sites on a surface determines the ligand-grafting densities that may ultimately be achieved. We demonstrate that surface passivation can increase G relative to a bare surface by roughly 1 order of magnitude and that, for a given extent of passivation, thermal conductance can vary by up to a factor of ∼2 between different surfaces, suggesting that appropriately tailored nanostructures may direct heat flow in an anisotropic fashion for interface-limited thermal transport.

  6. The influence of the semiconductor and dielectric properties on surface flashover in silicon-dielectric systems

    SciTech Connect

    Gradinaru, G.; Madangarli, V.P.; Sudarshan, T.S. . Dept. of Electrical and Computer Engineering)

    1994-07-01

    New experimental results on surface flashover are reported for high field silicon-dielectric systems. Different conditions of the lateral surface, contacts and ambient dielectrics have been studied. The strong influence of the semiconductor quality, and that of the dielectric properties, on the prebreakdown and breakdown response of the system, is demonstrated. All experimental results strongly support the conclusion that surface flashover in silicon systems is a physical process totally different from semiconductor surface breakdown. This conclusion has important practical application in the improvement of the performance of photoconductive power switches, severely limited by premature breakdown effects.

  7. Electrospray deposition of organic molecules on bulk insulator surfaces.

    PubMed

    Hinaut, Antoine; Pawlak, Rémy; Meyer, Ernst; Glatzel, Thilo

    2015-01-01

    Large organic molecules are of important interest for organic-based devices such as hybrid photovoltaics or molecular electronics. Knowing their adsorption geometries and electronic structures allows to design and predict macroscopic device properties. Fundamental investigations in ultra-high vacuum (UHV) are thus mandatory to analyze and engineer processes in this prospects. With increasing size, complexity or chemical reactivity, depositing molecules by thermal evaporation becomes challenging. A recent way to deposit molecules in clean conditions is Electrospray Ionization (ESI). ESI keeps the possibility to work with large molecules, to introduce them in vacuum, and to deposit them on a large variety of surfaces. Here, ESI has been successfully applied to deposit triply fused porphyrin molecules on an insulating KBr(001) surface in UHV environment. Different deposition coverages have been obtained and characterization of the surface by in-situ atomic force microscopy working in the non-contact mode shows details of the molecular structures adsorbed on the surface. We show that UHV-ESI, can be performed on insulating surfaces in the sub-monolayer regime and to single molecules which opens the possibility to study a variety of complex molecules.

  8. Electrospray deposition of organic molecules on bulk insulator surfaces

    PubMed Central

    Pawlak, Rémy; Glatzel, Thilo

    2015-01-01

    Summary Large organic molecules are of important interest for organic-based devices such as hybrid photovoltaics or molecular electronics. Knowing their adsorption geometries and electronic structures allows to design and predict macroscopic device properties. Fundamental investigations in ultra-high vacuum (UHV) are thus mandatory to analyze and engineer processes in this prospects. With increasing size, complexity or chemical reactivity, depositing molecules by thermal evaporation becomes challenging. A recent way to deposit molecules in clean conditions is Electrospray Ionization (ESI). ESI keeps the possibility to work with large molecules, to introduce them in vacuum, and to deposit them on a large variety of surfaces. Here, ESI has been successfully applied to deposit triply fused porphyrin molecules on an insulating KBr(001) surface in UHV environment. Different deposition coverages have been obtained and characterization of the surface by in-situ atomic force microscopy working in the non-contact mode shows details of the molecular structures adsorbed on the surface. We show that UHV-ESI, can be performed on insulating surfaces in the sub-monolayer regime and to single molecules which opens the possibility to study a variety of complex molecules. PMID:26665062

  9. Bulk growth and surface characterization of epitaxy ready cadmium zinc telluride substrates for use in IR imaging applications

    NASA Astrophysics Data System (ADS)

    Flint, J. P.; Martinez, B.; Betz, T. E. M.; MacKenzie, J.; Kumar, F. J.; Bindley, G.

    2016-05-01

    Cadmium Zinc Telluride (CZT) is an important compound semiconductor material upon which Mercury Cadmium Telluride (MCT) layers are deposited epitaxially to form structures that are used in high performance detectors covering a wide infrared (IR) spectral band. The epitaxial growth of high quality MCT layers presents many technical challenges and a critical determinant of material performance is the quality of the underlying bulk CZT substrate. CZT itself is a difficult material to manufacture where traditional methods of bulk growth are complex and low yielding, which constrains the supply of commercially available substrates. In this work we report on the epitaxy-ready finishing of Travelling Heather Method (THM) grown Cd0.96Zn0.04Te substrates. The THM method is well established for the growth of high quality CZT crystals used in nuclear, X-ray and spectroscopic imaging applications and in this work we demonstrate the application of this technique to the growth of IR specification CZT substrates with areas of up to 5 cm x 5 cm square. We will discuss the advantages of the THM method over alternative methods of bulk CZT growth where the high yield and material uniformity advantages of this technique will be demonstrated. Chemo-mechanical polishing (CMP) of 4 cm x 4 cm CZT substrates reveals that III-V (InSb/GaSb) like levels of epitaxy-ready surface finishing may be obtained with modified process chemistries. Surface quality assessments will be made by various surface analytical and microscopy techniques from which the suitability of the material for subsequent assessment of quality by epitaxial growth will be ascertained.

  10. The coexistence of surface magnetoplasmons (SMPs) and bulk magnetoplasmons (BMPs) in SIS waveguide with the Voigt configuration magnetization

    NASA Astrophysics Data System (ADS)

    Zhu, Qiong-gan; Wang, Zhi-guo

    2016-05-01

    The coexistence behavior of surface magnetoplasmons (SMPs) and bulk magnetoplasmons (BMPs) is discussed on a platform constructed by the Semicondutor-Insulator-Semiconductor (SIS) waveguide with the Voigt configuration magnetization. It is found that the coexistence of SMPs and BMPs stems from the nonzero off-diagonal terms of permittivity tensors of the top and the bottom semiconductor materials (SM) claddings which are induced by the external magnetic field. In this case, the impendence of SM for SMPs contains two contributions associated with both the transversal and the longitudinal wave vectors of SMPs. When the impendence matching condition of SMPs exciting in SIS waveguide is satisfied in the propagating band of BMPs, the coexistence of these two modes thus appears. The results show that the forward-propagating SMPs only coexists with the lower BMPs mode, however, the backward-propagating SMPs coexists with the higher BMPs mode when the top and the bottom SM claddings are magnetized by equal amplitude magnetic field but with opposite direction. In addition, the influences of external-magnetic-field intensity, insulator permittivity and waveguide width on the coexisting frequency widths are also presented.

  11. Optical Real Time Signal Processors and Semiconductor Surface and Semiconductor-Electrolyte Interface Study Using Acoustic Surface Wave.

    DTIC Science & Technology

    1981-08-01

    Resistivity GaAs", J. Appl. Phys., Vol. 50, pp. 4942-4950, 1979. Copies of the papers are available upon request. 2 5. J . Scott Moore and P. Das, "The...Papers presented with support from the contract 1. J . Scott Moore and P. Das, "Hot Electron Effects in Quasi-Two Dimensional Semiconductors

  12. Determination of Surface Recombination Velocities at Contacts in Organic Semiconductor Devices Using Injected Carrier Reservoirs

    NASA Astrophysics Data System (ADS)

    Sandberg, Oskar J.; Sandén, Simon; Sundqvist, Anton; Smâtt, Jan-Henrik; Österbacka, Ronald

    2017-02-01

    A method to determine surface recombination velocities at collecting contacts in interface-limited organic semiconductor devices, based on the extraction of injected carrier reservoirs in a single-carrier sandwich-type structure, is presented. The analytical framework is derived and verified with drift-diffusion simulations. The method is demonstrated on solution-processed organic semiconductor devices with hole-blocking TiO2/organic and SiO2/organic interfaces, relevant for solar cell and transistor applications, respectively.

  13. In situ Magnetotransport Measurements in Ultrathin Bi Films: Evidence for Surface-Bulk Coherent Transport

    NASA Astrophysics Data System (ADS)

    Aitani, Masaki; Hirahara, Toru; Ichinokura, Satoru; Hanaduka, Masahiro; Shin, Dongyoon; Hasegawa, Shuji

    2014-11-01

    We performed in situ magnetotransport measurements on ultrathin Bi(111) films [4-30 bilayers (BLs), 16-120 Å thick] to elucidate the role of bulk or surface states in the transport phenomena. We found that the temperature dependence of the film conductivity shows no thickness dependence for the 6-16 BL films and is affected by the electron-electron scattering, suggesting surface-state dominant contribution. In contrast, the weak antilocalization effect observed by applying a magnetic field shows clear thickness dependence, indicating bulk transport. This apparent inconsistency is explained by a coherent bulk-surface coupling that produces a single channel transport. For the films thicker than 20 BLs, the behavior changes drastically which can likely be interpreted as a bulk dominant conduction.

  14. Li(Zn,Co,Mn)As: A bulk form diluted magnetic semiconductor with Co and Mn co-doping at Zn sites

    NASA Astrophysics Data System (ADS)

    Chen, Bijuan; Deng, Zheng; Li, Wenmin; Gao, Moran; Zhao, Jianfa; Zhao, Guoqiang; Yu, Shuang; Wang, Xiancheng; Liu, Qingqing; Jin, Changqing

    2016-11-01

    We report the synthesis and characterization of a series of bulk forms of diluted magnetic semiconductors Li(Zn1-x-yCoxMny)As with a crystal structure close to that of III-V diluted magnetic semiconductor (Ga,Mn)As. No ferromagnetic order occurs with single (Zn,Co) or (Zn, Mn) substitution in the parent compound LiZnAs. Only with co-doped Co and Mn ferromagnetic ordering can occur at the Curie temperature ˜40 K. The maximum saturation moment of the this system reached to 2.17 μB /Mn , which is comparable to that of Li (Zn,Mn)As. It is the first time that a diluted magnetic semiconductor with co-doping Co and Mn into Zn sites is achieved in "111" LiZnAs system, which could be utilized to investigate the basic science of ferromagnetism in diluted magnetic semiconductors. In addition, ferromagnetic Li(Zn,Co,Mn)As, antiferromagnetic LiMnAs, and superconducting LiFeAs share square lattice at As layers, which may enable the development of novel heterojunction devices in the future.

  15. Relationship between surface concentration of L-leucine and bulk powder properties in spray dried formulations.

    PubMed

    Mangal, Sharad; Meiser, Felix; Tan, Geoffrey; Gengenbach, Thomas; Denman, John; Rowles, Matthew R; Larson, Ian; Morton, David A V

    2015-08-01

    The amino acid L-leucine has been demonstrated to act as a lubricant and improve the dispersibility of otherwise cohesive fine particles. It was hypothesized that optimum surface L-leucine concentration is necessary to achieve optimal surface and bulk powder properties. Polyvinylpyrrolidone was spray dried with different concentration of L-leucine and the change in surface composition of the formulations was determined using X-ray photoelectron spectroscopy (XPS) and time of flight-secondary ion mass spectrometry (ToF-SIMS). The formulations were also subjected to powder X-ray diffraction analysis in order to understand the relationship between surface concentration and solid-state properties of L-leucine. In addition, the morphology, surface energy and bulk cohesion of spray dried formulations were also assessed to understand the relation between surface L-leucine concentration and surface and bulk properties. The surface concentration of L-leucine increased with higher feed concentrations and plateaued at about 10% L-leucine. Higher surface L-leucine concentration also resulted in the formation of larger L-leucine crystals and not much change in crystal size was noted above 10% L-leucine. A change in surface morphology of particles from spherical to increasingly corrugated was also observed with increasing surface l-leucine concentration. Specific collapsed/folded over particles were only seen in formulations with 10% or higher l-leucine feed concentration suggesting a change in particle surface formation process. In addition, bulk cohesion also reduced and approached a minimum with 10% L-leucine concentration. Thus, the surface concentration of L-leucine governs particle formation and optimum surface L-leucine concentration results in optimum surface and bulk powder properties.

  16. 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.

  17. Analysis of Surface and Bulk Behavior in Ni-Pd Alloys

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Noebe, Rondald D.

    2003-01-01

    The most salient features of the surface structure and bulk behavior of Ni-Pd alloys have been studied using the BFS method for alloys. Large-scale atomistic simulations were performed to investigate surface segregation profiles as a function of temperature, crystal face, and composition. Pd enrichment of the first layer was observed in (111) and (100) surfaces, and enrichment of the top two layers occurred for (110) surfaces. In all cases, the segregation profile shows alternate planes enriched and depleted in Pd. In addition, the phase structure of bulk Ni-Pd alloys as a function of temperature and composition was studied. A weak ordering tendency was observed at low temperatures, which helps explain the compositional oscillations in the segregation profiles. Finally, based on atom-by-atom static energy calculations, a comprehensive explanation for the observed surface and bulk features will be presented in terms of competing chemical and strain energy effects.

  18. Bulk and surface effects in segmented high purity germanium detectors

    NASA Astrophysics Data System (ADS)

    Abt, I.; Caldwell, A.; Dönmez, B.; Irlbeck, S.; Majorovits, B.; Volynets, O.

    2013-08-01

    Segmented high-purity germanium detectors have been developed for a variety of experiments. The segmentation is used to augment the excellent energy resolution of such a device with spatial information to disentangle event topologies. Several performance aspects of true-coaxial segmented detectors are presented, especially the effects due to the crystallographic axes and the problem of events close to the surfaces of the detector. A test stand and Monte Carlo tools developed to study such effects are introduced. The simulation tools can also be used to design novel detectors, such as segmented point-contact detectors. A particular design is presented and discussed.

  19. Collective excitations of spherical semiconductor nanoparticles

    NASA Astrophysics Data System (ADS)

    Moradi, Afshin

    2016-10-01

    In this article, we study the dispersion properties of bulk and surface electrostatic oscillations of a spherical quantum electron-hole semiconductor plasma as a simple model of a semiconductor nanoparticle. We derive general dispersion relation for both bulk and surface modes, using quantum hydrodynamic theory (including the electrons and holes quantum recoil effects, quantum statistical pressures of the plasma species, as well as exchange and correlation effects) in conjunction with Poisson’s equation and appropriate boundary conditions. We show that for the arbitrary value of angular quantum number {\\ell }≥slant 1 there are only two surface plasmon modes, but two infinite series of bulk modes for {\\ell }≥slant 0 that owe their existence to the curvature of the interface. We use the typical values of GaAs semiconductor to compute the bulk and surface mode frequencies for different value of {\\ell }.

  20. Latex Surface and Bulk Coagulation Induced by Solvent Vapors.

    PubMed

    Braga; da Silva Md; Cardoso; Galembeck

    2000-08-01

    Latex exposure to solvent vapors leads to highly specific changes in latex stability as well as on the morphologies of the particle association products, depending on the latex and solvent used. Examples of solvent vapor-induced aggregation are given: surface films are obtained on two PS latexes; in one case, the film surface is mirror-reflective and very flat, as evidenced by AFM. Another PS latex coagulates under exposure to acetone vapors, and the morphologies of the coagula are highly sensitive to the exposure conditions. This latex yields a highly porous foam-like structure, in which particles are strongly coalesced but form percolating patches around the pores. The same latex but under other conditions produces a coagulum of large numbers of aggregated particles with a raspberry-like morphology. Density centrifugation experiments show that the effect of solvents on different latex fractions is not uniform, and some fractions show larger density changes than others, thus evidencing a variability in their swelling ability. Copyright 2000 Academic Press.

  1. A New Commercializable Route for the Preparation of Single-Source Precursors for Bulk, Thin-Film, and Nanocrystallite I-III-IV Semiconductors

    NASA Technical Reports Server (NTRS)

    Banger, Kulbinder K.; Jin, Michael H. C.; Harris, Jerry D.; Fanwick, Philip E.; Hepp, Aloysius F.

    2004-01-01

    We report a new simplified synthetic procedure for commercial manufacture of ternary single source precursors (SSP). This new synthetic process has been successfully implemented to fabricate known SSPs on bulk scale and the first liquid SSPs to the semiconductors CuInSe2 and AgIn(x)S(y). Single crystal X-ray determination reveals the first unsolvated ternary AgInS SSP. SSPs prepared via this new route have successfully been used in a spray assisted chemical vapor deposition (CVD) process to deposit polycrystalline thin films, and for preparing ternary nanocrystallites.

  2. Disentanglement of surface and bulk Rashba spin splittings in noncentrosymmetric BiTeI.

    PubMed

    Landolt, Gabriel; Eremeev, Sergey V; Koroteev, Yury M; Slomski, Bartosz; Muff, Stefan; Neupert, Titus; Kobayashi, Masaki; Strocov, Vladimir N; Schmitt, Thorsten; Aliev, Ziya S; Babanly, Mahammad B; Amiraslanov, Imamaddin R; Chulkov, Evgueni V; Osterwalder, Jürg; Dil, J Hugo

    2012-09-14

    BiTeI has a layered and noncentrosymmetric structure where strong spin-orbit interaction leads to a giant Rashba spin splitting in the bulk bands. We present direct measurements of the bulk band structure obtained with soft x-ray angle-resolved photoemission (ARPES), revealing the three-dimensional Fermi surface. The observed spindle torus shape bears the potential for a topological transition in the bulk by hole doping. Moreover, the bulk electronic structure is clearly disentangled from the two-dimensional surface electronic structure by means of high-resolution and spin-resolved ARPES measurements in the ultraviolet regime. All findings are supported by ab initio calculations.

  3. Near-surface and bulk behavior of Ag in SiC

    SciTech Connect

    Xiao, Haiyan; Zhang, Yanwen; Snead, Lance Lewis; Shutthanandan, Vaithiyalingam; Xue, Haizhou; Weber, William J

    2012-01-01

    The diffusive release of fission products, such as Ag, from TRISO particles at high temperatures has raised concerns regarding safe and economic operation of advanced nuclear reactors. Understanding the mechanisms of Ag diffusion is thus of crucial importance for effective retention of fission products. Two mechanisms, i.e., grain boundary diffusion and vapor or surface diffusion through macroscopic structures such as nano-pores or nano-cracks, remain in debate. In the present work, an integrated computational and experimental study of the near-surface and bulk behavior of Ag in silicon carbide (SiC) has been carried out. The ab initio calculations show that Ag prefers to adsorb on the SiC surface rather than in the bulk, and the mobility of Ag on the surface is high. The energy barrier for Ag desorption from the surface is calculated to be 0.85-1.68 eV, and Ag migration into bulk SiC through equilibrium diffusion process is not favorable. Experimentally, Ag ions are implanted into SiC to produce Ag profiles buried in the bulk and peaked at the surface. High-temperature annealing leads to Ag release from the surface region instead of diffusion into the interior of SiC. It is suggested that surface diffusion through mechanical structural imperfection, such as vapor transport through cracks in SiC coatings, may be a dominating mechanism accounting for Ag release from the SiC in the nuclear reactor.

  4. Guided evolution of bulk metallic glass nanostructures: A platform for designing three-dimensional electrocatalytic surfaces

    SciTech Connect

    Doubek, Gustavo; Sekol, Ryan C.; Li, Jinyang; Ryu, Won -Hee; Gittleson, Forrest S.; Nejati, Siamak; Moy, Eric; Reid, Candy; Carmo, Marcelo; Linardi, Marcelo; Bordeenithikasem, Punnathat; Kinser, Emily; Liu, Yanhui; Tong, Xiao; Osuji, Chinedum; Schroers, Jan; Mukherjee, Sundeep; Taylor, Andre D.

    2015-12-22

    Precise control over catalyst surface composition and structure is necessary to improve the function of electrochemical systems. To that end, bulk metallic glass (BMG) alloys with atomically dispersed elements provide a highly processable, nanoscale platform for electrocatalysis and surface modification. Here we report on nanostructures of Pt-based BMGs that are modified with various subtractive and additive processes to improve their electrochemical performance.

  5. Surface flashover threshold and switched fields of photoconductive semiconductor switches

    SciTech Connect

    Loubriel, G.M.; O'Malley, M.W.; Zutavern, F.J.; McKenzie, B.B.; Conley, W.R.

    1988-01-01

    We have shown that Si Photoconductive Semiconductor Switches (PCSS) can be used to switch high voltages (up to 123 kV), high fields (up to 82 kV/cm) and high currents (2.8 kA). The ability of the samples to withstand this type of high voltage, high current switching depends on the way in which the current penetrates the semiconductor. The appropriate use of water or contacts greatly improves the switching capability. We have also shown that the wafers can support large currents (4.0 kA for GaAs and 2.8 kA for Si) and large linear current densities (3.2 kA/cm for GaAs and 1.4 kA/cm for Si). For GaAs this linear current density corresponds to about 1 Ma/cm/sup 2/ given a penetration depth of about 10/sup /minus/3/ cm. 4 refs., 4 figs., 2 tabs.

  6. Edge Dislocations Triggered Surface Instability in Tensile Epitaxial Hexagonal Nitride Semiconductor.

    PubMed

    Cheng, Jianpeng; Yang, Xuelin; Zhang, Jie; Hu, Anqi; Ji, Panfeng; Feng, Yuxia; Guo, Lei; He, Chenguang; Zhang, Lisheng; Xu, Fujun; Tang, Ning; Wang, Xinqiang; Shen, Bo

    2016-12-14

    Understanding the semiconductor surface and its properties including surface stability, atomic morphologies, and even electronic states is of great importance not only for understanding surface growth kinetics but also for evaluating the degree to which they affect the devices' performance. Here, we report studies on the nanoscale fissures related surface instability in AlGaN/GaN heterostructures. Experimental results reveal that edge dislocations are actually the root cause of the surface instability. The nanoscale fissures are initially triggered by the edge dislocations, and the subsequent evolution is associated with tensile lattice-mismatch stress and hydrogen etching. Our findings resolve a long-standing problem on the surface instability in AlGaN/GaN heterostructures and will also lead to new understandings of surface growth kinetics in other hexagonal semiconductor systems.

  7. Near-surface and bulk behavior of Ag in SiC

    SciTech Connect

    Xiao, Haiyan Y.; Zhang, Yanwen; Snead, Lance L.; Shutthanandan, V.; Xue, Haizhou; Weber, William J.

    2012-01-01

    The diffusive release of fission products, such as Ag, from TRISO particles at high temperatures has raised concerns regarding safe and economic operation of advanced nuclear reactors. Understanding the mechanisms of Ag diffusion is thus of crucial importance for effective retention of fission products. Two mechanisms, i.e., grain boundary diffusion and vapor or surface diffusion through macroscopic structures such as nano-pores or nano-cracks, remain in debate. In the present work, an integrated computational and experimental study of the nearsurface and bulk behavior of Ag in silicon carbide (SiC) has been carried out. The ab initio calculations show that Ag prefers to adsorb on the SiC surface rather than in the bulk, and the mobility of Ag on the surface is high. The energy barrier for Ag desorption from the surface is calculated to be 0.85~1.68 eV, and Ag migration into bulk SiC through equilibrium diffusion process is not favorable. Experimentally, Ag ions are implanted into SiC to produce Ag profiles buried in the bulk and peaked at the surface. High-temperature annealing leads to Ag release from the surface region instead of diffusion into the interior of SiC. It is suggested that surface diffusion through mechanical structural imperfection, such as vapor transport through cracks in 2 SiC coatings, may be a dominating mechanism accounting for Ag release from the SiC in the nuclear reactor.

  8. In-crystal and surface charge transport of electric-field-induced carriers in organic single-crystal semiconductors.

    PubMed

    Takeya, J; Kato, J; Hara, K; Yamagishi, M; Hirahara, R; Yamada, K; Nakazawa, Y; Ikehata, S; Tsukagoshi, K; Aoyagi, Y; Takenobu, T; Iwasa, Y

    2007-05-11

    Gate-voltage dependence of carrier mobility is measured in high-performance field-effect transistors of rubrene single crystals by simultaneous detection of the longitudinal conductivity sigma(square) and Hall coefficient R(H). The Hall mobility mu(H) (identical with sigma(square)R(H)) reaches nearly 10 cm(2)/V s when relatively low-density carriers (<10(11) cm(-2)) distribute into the crystal. mu(H) rapidly decreases with higher-density carriers as they are essentially confined to the surface and are subjected to randomness of the amorphous gate insulators. The mechanism to realize high carrier mobility in the organic transistor devices involves intrinsic-semiconductor character of the high-purity organic crystals and diffusive bandlike carrier transport in the bulk.

  9. Electrostatic Surface Waves on Semi-Bounded Quantum Electron-Hole Semiconductor Plasmas

    NASA Astrophysics Data System (ADS)

    Moradi, Afshin

    2017-03-01

    The electrostatic surface waves on semi-bounded quantum electron-hole semiconductor plasmas are studied within the framework of the quantum hydrodynamic model, including the electrons and holes quantum recoil effects, quantum statistical pressures of the plasma species, as well as exchange and correlation effects. The dispersion characteristics of surface electrostatic oscillations are investigated by using the typical values of GaAs, GaSb and GaN semiconductors. Numerical results show the existence of one low-frequency branch due to the mass difference between the electrons and holes in addition to one high-frequency branch due to charge-separation effects.

  10. Structural Studies of Clean Semiconductor Surfaces and Metal-Semiconductor Interfaces by Photoemission Extended X-Ray Absorption Fine Structure Spectroscopy.

    NASA Astrophysics Data System (ADS)

    Mangat, Pawitterjit Singh

    We determined the atomic geometries for clean InP(110)-(1 x 1) and Si(111)-(2 x 1) surfaces and Al/InP(110), Ag/InP(110), Bi/InP(110), Na/InP(110) and Al/Si(111) interfaces by photoemission extended x-ray absorption fine structure (PEXAFS) spectroscopy to understand the correlation between electrical Schottky barrier heights and interfacial structure. P 2p PEXAFS for the InP(110) surface and Si 2p PEXAFS for the Si(111) surface were acquired which yielded information on the short range order of substrate atoms on the surface or at the interface. For Al/Si(111) interfaces, we also obtained Al 2p PEXAFS. The data analyzed by Fourier analysis and curve-fitting procedures. The theoretical backscattering phase function of McKale et al. (J. Am. Chem. Soc. 110, 3763 (1988)) and absorber phase function of Teo and Lee (J. Am. Chem. Soc. 101, 2815 (1979)) were used for phase analysis to determine the interatomic bond lengths. For the clean InP(110) surface, we observed surface relaxation. For the Si(111)-(2 x 1) surface, we found 10% contraction in the second near neighborhood Si-Si distance which is not reported in any model. For low coverage reactive metal (Al, Na)/InP(110) interfaces, we observed metal induced surface structural changes which involve removal of relaxation and change in the basis of the surface unit mesh of the substrate. For Ag/InP(110) interfaces, the noble metal atoms were found to remove the relaxation of the first P-In bond length at the interface. These changes in the substrate might bring in interface states within the semiconductor band gap and, consequently, influencing Fermi-level pinning during the Schottky barrier formation. For the Bi/InP(110) interfaces, the relaxation of the clean InP(110) surface is not removed by the deposited Bi atoms. Hence, the Bi/InP(110) interface might not have Fermi-level pinning by interface states due to the interfacial structure of InP. For Al/Si(111) interfaces, the Al atoms do not induce drastic surface

  11. Visualizing weakly bound surface Fermi arcs and their correspondence to bulk Weyl fermions

    PubMed Central

    Batabyal, Rajib; Morali, Noam; Avraham, Nurit; Sun, Yan; Schmidt, Marcus; Felser, Claudia; Stern, Ady; Yan, Binghai; Beidenkopf, Haim

    2016-01-01

    Fermi arcs are the surface manifestation of the topological nature of Weyl semimetals, enforced by the bulk-boundary correspondence with the bulk Weyl nodes. The surface of tantalum arsenide, similar to that of other members of the Weyl semimetal class, hosts nontopological bands that obscure the exploration of this correspondence. We use the spatial structure of the Fermi arc wave function, probed by scanning tunneling microscopy, as a spectroscopic tool to distinguish and characterize the surface Fermi arc bands. We find that, as opposed to nontopological states, the Fermi arc wave function is weakly affected by the surface potential: it spreads rather uniformly within the unit cell and penetrates deeper into the bulk. Fermi arcs reside predominantly on tantalum sites, from which the topological bulk bands are derived. Furthermore, we identify a correspondence between the Fermi arc dispersion and the energy and momentum of the bulk Weyl nodes that classify this material as topological. We obtain these results by introducing an analysis based on the role the Bloch wave function has in shaping quantum electronic interference patterns. It thus carries broader applicability to the study of other electronic systems and other physical processes. PMID:27551687

  12. Visualizing weakly bound surface Fermi arcs and their correspondence to bulk Weyl fermions.

    PubMed

    Batabyal, Rajib; Morali, Noam; Avraham, Nurit; Sun, Yan; Schmidt, Marcus; Felser, Claudia; Stern, Ady; Yan, Binghai; Beidenkopf, Haim

    2016-08-01

    Fermi arcs are the surface manifestation of the topological nature of Weyl semimetals, enforced by the bulk-boundary correspondence with the bulk Weyl nodes. The surface of tantalum arsenide, similar to that of other members of the Weyl semimetal class, hosts nontopological bands that obscure the exploration of this correspondence. We use the spatial structure of the Fermi arc wave function, probed by scanning tunneling microscopy, as a spectroscopic tool to distinguish and characterize the surface Fermi arc bands. We find that, as opposed to nontopological states, the Fermi arc wave function is weakly affected by the surface potential: it spreads rather uniformly within the unit cell and penetrates deeper into the bulk. Fermi arcs reside predominantly on tantalum sites, from which the topological bulk bands are derived. Furthermore, we identify a correspondence between the Fermi arc dispersion and the energy and momentum of the bulk Weyl nodes that classify this material as topological. We obtain these results by introducing an analysis based on the role the Bloch wave function has in shaping quantum electronic interference patterns. It thus carries broader applicability to the study of other electronic systems and other physical processes.

  13. Tuning apparent friction coefficient by controlled patterning bulk metallic glasses surfaces.

    PubMed

    Li, Ning; Xu, Erjiang; Liu, Ze; Wang, Xinyun; Liu, Lin

    2016-12-19

    Micro-honeycomb structures with various pitches between adjacent cells were hot-embossed on Zr35Ti30Cu8.25Be26.75 bulk metallic glass surface. The effect of pitch geometry on the frictional behavior of metallic glass surface was systematically investigated. The results revealed that all textured metallic glass surfaces show a reduction in friction coefficient compared to smooth surface. More intriguingly, the friction coefficient first decreased and then increased gradually with increasing pitches. Such unique behavior can be understood fundamentally from the perspective of competing effects between contact area and local stress level with increasing pitches. This finding not only enhance the in-depth understanding of the mechanism of the significant role of surface topography on the frictional behavior of metallic glass surface, but also opens a new route towards other functional applications for bulk metallic glasses.

  14. Tuning apparent friction coefficient by controlled patterning bulk metallic glasses surfaces

    NASA Astrophysics Data System (ADS)

    Li, Ning; Xu, Erjiang; Liu, Ze; Wang, Xinyun; Liu, Lin

    2016-12-01

    Micro-honeycomb structures with various pitches between adjacent cells were hot-embossed on Zr35Ti30Cu8.25Be26.75 bulk metallic glass surface. The effect of pitch geometry on the frictional behavior of metallic glass surface was systematically investigated. The results revealed that all textured metallic glass surfaces show a reduction in friction coefficient compared to smooth surface. More intriguingly, the friction coefficient first decreased and then increased gradually with increasing pitches. Such unique behavior can be understood fundamentally from the perspective of competing effects between contact area and local stress level with increasing pitches. This finding not only enhance the in-depth understanding of the mechanism of the significant role of surface topography on the frictional behavior of metallic glass surface, but also opens a new route towards other functional applications for bulk metallic glasses.

  15. Tuning apparent friction coefficient by controlled patterning bulk metallic glasses surfaces

    PubMed Central

    Li, Ning; Xu, Erjiang; Liu, Ze; Wang, Xinyun; Liu, Lin

    2016-01-01

    Micro-honeycomb structures with various pitches between adjacent cells were hot-embossed on Zr35Ti30Cu8.25Be26.75 bulk metallic glass surface. The effect of pitch geometry on the frictional behavior of metallic glass surface was systematically investigated. The results revealed that all textured metallic glass surfaces show a reduction in friction coefficient compared to smooth surface. More intriguingly, the friction coefficient first decreased and then increased gradually with increasing pitches. Such unique behavior can be understood fundamentally from the perspective of competing effects between contact area and local stress level with increasing pitches. This finding not only enhance the in-depth understanding of the mechanism of the significant role of surface topography on the frictional behavior of metallic glass surface, but also opens a new route towards other functional applications for bulk metallic glasses. PMID:27991571

  16. A new approach to the problem of bulk-mediated surface diffusion

    PubMed Central

    Berezhkovskii, Alexander M.; Dagdug, Leonardo; Bezrukov, Sergey M.

    2015-01-01

    This paper is devoted to bulk-mediated surface diffusion of a particle which can diffuse both on a flat surface and in the bulk layer above the surface. It is assumed that the particle is on the surface initially (at t = 0) and at time t, while in between it may escape from the surface and come back any number of times. We propose a new approach to the problem, which reduces its solution to that of a two-state problem of the particle transitions between the surface and the bulk layer, focusing on the cumulative residence times spent by the particle in the two states. These times are random variables, the sum of which is equal to the total observation time t. The advantage of the proposed approach is that it allows for a simple exact analytical solution for the double Laplace transform of the conditional probability density of the cumulative residence time spent on the surface by the particle observed for time t. This solution is used to find the Laplace transform of the particle mean square displacement and to analyze the peculiarities of its time behavior over the entire range of time. We also establish a relation between the double Laplace transform of the conditional probability density and the Fourier-Laplace transform of the particle propagator over the surface. The proposed approach treats the cases of both finite and infinite bulk layer thicknesses (where bulk-mediated surface diffusion is normal and anomalous at asymptotically long times, respectively) on equal footing. PMID:26328814

  17. Bulk and Surface Molecular Orientation Distribution in Injection-molded Liquid Crystalline Polymers: Experiment and Simulation

    SciTech Connect

    Fang, J.; Burghardt, W; Bubeck, R; Burgard, S; Fischer, D

    2010-01-01

    Bulk and surface distributions of molecular orientation in injection-molded plaques of thermotropic liquid crystalline polymers (TLCPs) have been studied using a combination of techniques, coordinated with process simulations using the Larson-Doi 'polydomain' model. Wide-angle X-ray scattering was used to map out the bulk orientation distribution. Fourier Transform Infrared Attenuated Total Reflectance (FTIR-ATR) and Near-Edge X-ray Absorption Fine Structure (NEXAFS) were utilized to probe the molecular orientation states to within about {approx}5 {micro}m and {approx}2 nm, respectively, of the sample surface. These noninvasive, surface-sensitive techniques yield reasonable self-consistency, providing complementary validation of the robustness of these methods. An analogy between Larson-Doi and fiber orientation models has allowed the first simulations of TLCP injection molding. The simulations capture many fine details in the bulk orientation distribution across the sample plaque. Direct simulation of surface orientation at the level probed by FTIR-ATR and NEXAFS was not possible due to the limited spatial resolution of the simulations. However, simulation results extracted from the shear-dominant skin region are found to provide a qualitatively accurate indicator of surface orientation. Finally, simulations capture the relation between bulk and surface orientation states across the different regions of the sample plaque.

  18. Surface plasmon-polariton resonance at diffraction of THz radiation on semiconductor gratings

    NASA Astrophysics Data System (ADS)

    Spevak, I. S.; Kuzmenko, A. A.; Tymchenko, M.; Gavrikov, V. K.; Shulga, V. M.; Feng, J.; Sun, H. B.; Kamenev, Yu. E.; Kats, A. V.

    2016-08-01

    Resonance diffraction of THz hidrogen cyanide laser radiation on a semiconductor (InSb) grating is studied both experimentally and theoretically. The specular reflectivity suppression due to the resonance excitation of the THz surface plasmon-polariton is observed on a pure semiconductor grating and on semiconductor gratings covered with a thin dielectric layer. The dielectric coating of the grating results in the resonance shift and widening depending both on the layer thickness and dielectric properties. A simple analytical theory of the resonance diffraction on rather shallow gratings covered with a dielectric layer is presented, and the results are in a good accordance with the experimental data. Analytical expressions for the resonance shift and broadening are essential for the resonance properties understanding and useful for sensing data interpretation of the agents deposited on the grating surface.

  19. Nanochemistry at the atomic scale revealed in hydrogen-induced semiconductor surface metallization.

    PubMed

    Derycke, Vincent; Soukiassian, Patrick G; Amy, Fabrice; Chabal, Yves J; D'angelo, Marie D; Enriquez, Hanna B; Silly, Mathieu G

    2003-04-01

    Passivation of semiconductor surfaces against chemical attack can be achieved by terminating the surface-dangling bonds with a monovalent atom such as hydrogen. Such passivation invariably leads to the removal of all surface states in the bandgap, and thus to the termination of non-metallic surfaces. Here we report the first observation of semiconductor surface metallization induced by atomic hydrogen. This result, established by using photo-electron and photo-absorption spectroscopies and scanning tunnelling techniques, is achieved on a Si-terminated cubic silicon carbide (SiC) surface. It results from competition between hydrogen termination of surface-dangling bonds and hydrogen-generated steric hindrance below the surface. Understanding the ingredient for hydrogen-stabilized metallization directly impacts the ability to eliminate electronic defects at semiconductor interfaces critical for microelectronics, provides a means to develop electrical contacts on high-bandgap chemically passive materials, particularly for interfacing with biological systems, and gives control of surfaces for lubrication, for example of nanomechanical devices.

  20. Nanochemistry at the atomic scale revealed in hydrogen-induced semiconductor surface metallization

    NASA Astrophysics Data System (ADS)

    Derycke, Vincent; Soukiassian, Patrick G.; Amy, Fabrice; Chabal, Yves J.; D'Angelo, Marie D.; Enriquez, Hanna B.; Silly, Mathieu G.

    2003-04-01

    Passivation of semiconductor surfaces against chemical attack can be achieved by terminating the surface-dangling bonds with a monovalent atom such as hydrogen. Such passivation invariably leads to the removal of all surface states in the bandgap, and thus to the termination of non-metallic surfaces. Here we report the first observation of semiconductor surface metallization induced by atomic hydrogen. This result, established by using photo-electron and photo-absorption spectroscopies and scanning tunnelling techniques, is achieved on a Si-terminated cubic silicon carbide (SiC) surface. It results from competition between hydrogen termination of surface-dangling bonds and hydrogen-generated steric hindrance below the surface. Understanding the ingredient for hydrogen-stabilized metallization directly impacts the ability to eliminate electronic defects at semiconductor interfaces critical for microelectronics, provides a means to develop electrical contacts on high-bandgap chemically passive materials, particularly for interfacing with biological systems, and gives control of surfaces for lubrication, for example of nanomechanical devices.

  1. Josephson Supercurrent through the Topological Surface States of Strained Bulk HgTe

    NASA Astrophysics Data System (ADS)

    Oostinga, Jeroen B.; Maier, Luis; Schüffelgen, Peter; Knott, Daniel; Ames, Christopher; Brüne, Christoph; Tkachov, Grigory; Buhmann, Hartmut; Molenkamp, Laurens W.

    2013-04-01

    Strained bulk HgTe is a three-dimensional topological insulator, whose surface electrons have a high mobility (˜30000cm2/Vs), while its bulk is effectively free of mobile charge carriers. These properties enable a study of transport through its unconventional surface states without being hindered by a parallel bulk conductance. Here, we show transport experiments on HgTe-based Josephson junctions to investigate the appearance of the predicted Majorana states at the interface between a topological insulator and a superconductor. Interestingly, we observe a dissipationless supercurrent flow through the topological surface states of HgTe. The current-voltage characteristics are hysteretic at temperatures below 1 K, with critical supercurrents of several microamperes. Moreover, we observe a magnetic-field-induced Fraunhofer pattern of the critical supercurrent, indicating a dominant 2π-periodic Josephson effect in the unconventional surface states. Our results show that strained bulk HgTe is a promising material system to get a better understanding of the Josephson effect in topological surface states, and to search for the manifestation of zero-energy Majorana states in transport experiments.

  2. Revealing Surface States in In-Doped SnTe Nanoplates with Low Bulk Mobility.

    PubMed

    Shen, Jie; Xie, Yujun; Cha, Judy J

    2015-06-10

    Indium (In) doping in topological crystalline insulator SnTe induces superconductivity, making In-doped SnTe a candidate for a topological superconductor. SnTe nanostructures offer well-defined nanoscale morphology and high surface-to-volume ratios to enhance surface effects. Here, we study In-doped SnTe nanoplates, In(x)Sn(1-x)Te, with x ranging from 0 to 0.1 and show they superconduct. More importantly, we show that In doping reduces the bulk mobility of In(x)Sn(1-x)Te such that the surface states are revealed in magnetotransport despite the high bulk carrier density. This is manifested by two-dimensional linear magnetoresistance in high magnetic fields, which is independent of temperature up to 10 K. Aging experiments show that the linear magnetoresistance is sensitive to ambient conditions, further confirming its surface origin. We also show that the weak antilocalization observed in In(x)Sn(1-x)Te nanoplates is a bulk effect. Thus, we show that nanostructures and reducing the bulk mobility are effective strategies to reveal the surface states and test for topological superconductors.

  3. Contribution of the comonomers to the bulk and surface properties of methacrylate copolymers.

    PubMed

    Hermitte, L; Thomas, F; Bougaran, R; Martelet, C

    2004-04-01

    Relationships between formulation, bulk properties, and surface properties are investigated on series of copolymers prepared with hydroxyethylmethacrylate (HEMA), methylmethacrylate (MMA), and ethylmethacrylate (EMA) monomers, and on the homopolymers PMMA and PHEMA. The bulk water content, swelling ratio, and static (sessile drop and captive bubble) and dynamic (Wilhelmy plate technique) contact angles and the electrokinetic potential (streaming potential) are measured. The bulk water content and swelling ratio of HEMA copolymers are proportional to the amount of HEMA and are linearly correlated to the contact angle hysteresis. Periodic instabilities in the wetting cycles, similar to Haines jumps, are observed with HEMA copolymers and support a bidirectional relaxation of the hydrophilic groups respectively towards external water and capillary water. The origin of the electrokinetic potential of these nonionizable polymers is attributed to specific adsorption of [Formula: see text] ions. Its dependence on surface hydrophobicity and statistical length of the side-chains is interpreted in terms of the properties of water molecules near the interface.

  4. Ultrafast photo-induced electron-transfer from coumarin dyes adsorbed on semiconductor nanoclusters surfaces

    SciTech Connect

    Castner, E.W. Jr.; Murakoshi, Kei; Yanagida, Shozo

    1997-12-31

    Photosensitizers adsorbed directly on semiconductor surfaces provide the basis for solar photoelectrochemical devices. Semiconductor nanoclusters in solution allow for simple preparation of the photosensitized surface, with very large surface area. To optimize the efficiency of the photoelectrochemical cycle, one must know the rates of forward and reverse electron-transfer from the excited state dye to the semiconductor conduction band. We present measurements of the ultrafast forward electron-transfer rates for three coumarin dyes (Coumarins 343, D-1421, and D-126) bound by the carboxylic acid group to the metal cationic sites of TiO{sub 2} and ZnO semiconductor nanocluster surfaces. These rates are obtained directly from the ultrafast fluorescence dynamics, measured using the femotosecond upconversion technique. Coumarins 343 and D-1421 on TiO{sub 2} nanoclusters in aqueous solution display very rapid forward electron-transfer with rate constants exceeding 10{sup 13} s{sup -1}. Substantially slower rates are observed for the same coumarin TiO{sub 2} systems in methanol solution.

  5. Decoupling Bulk and Surface Contributions in Water- Splitting Photocatalysts by In Situ Ultrafast Spectroscopy

    SciTech Connect

    Appavoo, Kannatassen; Mingzhao, Liu; Black, Charles T.; Sfeir, Matthew Y.

    2015-05-10

    By performing ultrafast emission spectroscopy in an operating, bias-controlled photoelectrochemical cell, we distinguish between bulk (charge transport) and surface (chemical reaction) recombination processes in a nanostructured photocatalyst and correlate its electronic properties directly with its incident-photon-to-current efficiency.

  6. Surface and bulk-loss reduction research by low-energy hydrogen doping

    NASA Technical Reports Server (NTRS)

    Fonash, S.

    1985-01-01

    Surface and bulk loss reduction by low energy hydrogen doping of silicon solar cells was examined. Hydrogen ions provided a suppression of space charge recombination currents. Implantation of hydrogen followed by the anneal cycle caused more redistribution of boron than the anneal which could complicate processing. It was demonstrated that passivation leads to space charge current reduction.

  7. Optical find of hypersonic surface acoustic waves in bulk transparent materials

    NASA Astrophysics Data System (ADS)

    Jiménez Riobóo, Rafael J.; Sánchez-Sánchez, Alberto; Prieto, Carlos

    2016-07-01

    It is shown that direct information from surface acoustic waves (SAWs) of bulk transparent materials can be obtained by using Brillouin light scattering (BLS). The study of surface phonons by means of an optical spectroscopy such as BLS has been historically constrained to nontransparent and highly reflecting bulk and film samples or even to very thin films deposited on reflecting substrates. Probably due to its low signal and to the narrow window in experimental conditions, it was assumed for years that bulk transparent samples were not suited for Brillouin spectroscopy in order to get information on SAWs, negating this optical technique in the search for SAW properties. The reported experiments on transparent glasses and single crystals (cubic MgO and trigonal sapphire) prove that there is no intrinsic physical reason not to collect SAW propagation velocity data from transparent bulk samples and opens a challenge to apply the Brillouin spectroscopy in a wider scenario to obtain direct information, in a nondestructive and contactless way, about SAWs in bulk materials.

  8. Impurities, Defects and Diffusion in Semiconductors: Bulk and Layered Structures. Materials Research Society Symposium Proceedings. Volume 163

    DTIC Science & Technology

    1990-11-21

    Ceperly-Alder correlation as parametrized by Perdew and Zunger.[3J We solve the LDA one-electron Schroedinger equations in a Gaussian-orbital based, linear...16.3 C17H3 6 4.5 17.7 C(bulk)b 4.2 22.1 aDiamond film calculations of Pederson, Jackson and Pickett[6]. bBulk band structure calculations of Erwin [5...Phys.Rev.B. (5) S.C. Erwin (private communication). 16) M.R. Pederson, K.A. Jackson and W.E. Pickett, in Technologv Update on l)Iamond Films, Ed. R.P.H. Chang

  9. Three-dimensional surface inspection for semiconductor components with fringe projection profilometry

    NASA Astrophysics Data System (ADS)

    Deng, Fuqin; Ding, Yi; Peng, Kai; Xi, Jiangtao; Yin, Yongkai; Zhu, Ziqi

    2016-11-01

    With the increasing integration level of components in modern electronic devices, three-dimensional automated optical inspection has been widely used in the manufacturing process of electronic and communication industries to improve the product quality. In this paper, we develop a three-dimensional inspection and metrology system for semiconductor components with fringe projection profilometry, which is composed of industry camera, telecentric lens and projection module. This system is used to measure the height, flatness, volume, shape, coplanarity for quality checking. To detect the discontinuous parts in the internal surface of semiconductor components, we employ the fringes with multiple spatial frequencies to avoid the measurement ambiguity. The complete three-dimensional information of semiconductor component is obtained by fusing the absolute phase maps from different views. The practical inspection results show that the depth resolution of our system reaches 10 μm . This system can be further embedded for the online inspection of various electronic and communication products.

  10. Tailoring the Spectroscopic Properties of Semiconductor Nanowires via Surface-Plasmon-Based Optical Engineering

    PubMed Central

    2014-01-01

    Semiconductor nanowires, due to their unique electronic, optical, and chemical properties, are firmly placed at the forefront of nanotechnology research. The rich physics of semiconductor nanowire optics arises due to the enhanced light–matter interactions at the nanoscale and coupling of optical modes to electronic resonances. Furthermore, confinement of light can be taken to new extremes via coupling to the surface plasmon modes of metal nanostructures integrated with nanowires, leading to interesting physical phenomena. This Perspective will examine how the optical properties of semiconductor nanowires can be altered via their integration with highly confined plasmonic nanocavities that have resulted in properties such as orders of magnitude faster and more efficient light emission and lasing. The use of plasmonic nanocavities for tailored optical absorption will also be discussed in order to understand and engineer fundamental optical properties of these hybrid systems along with their potential for novel applications, which may not be possible with purely dielectric cavities. PMID:25396030

  11. Surface plasmon polariton amplification in metal-semiconductor structures.

    PubMed

    Fedyanin, Dmitry Yu; Arsenin, Aleksey V

    2011-06-20

    We propose a novel scheme of surface plasmon polariton (SPP) amplification that is based on a minority carrier injection in a Schottky diode. This scheme uses compact electrical pumping instead of bulky optical pumping. Compact size and a planar structure of the proposed amplifier allow one to utilize it in integrated plasmonic circuits and couple it easily to passive plasmonic devices. Moreover, this technique can be used to obtain surface plasmon lasing.

  12. Surface Passivation for 3-5 Semiconductor Processing: Stable Gallium Sulphide Films by MOCVD

    NASA Technical Reports Server (NTRS)

    Macinnes, Andrew N.; Jenkins, Phillip P.; Power, Michael B.; Kang, Soon; Barron, Andrew R.; Hepp, Aloysius F.; Tabib-Azar, Massood

    1994-01-01

    Gallium sulphide (GaS) has been deposited on GaAs to form stable, insulating, passivating layers. Spectrally resolved photoluminescence and surface recombination velocity measurements indicate that the GaS itself can contribute a significant fraction of the photoluminescence in GaS/GaAs structures. Determination of surface recombination velocity by photoluminescence is therefore difficult. By using C-V analysis of metal-insulator-semiconductor structures, passivation of the GaAs with GaS films is quantified.

  13. Concurrence of bulk and surface order reconstruction to the relaxation of frustrated nematics

    NASA Astrophysics Data System (ADS)

    Amoddeo, Antonino

    2016-08-01

    Applying appropriate electric pulses to a nematic liquid crystal confined between plates, the bulk order reconstruction can occur, a mechanism allowing the switching between topologically different nematic textures without any director rotation. Using a moving mesh finite element method we describe the order tensor dynamics for a nematic inside an asymmetric n-cell, putting in evidence as textural distortions induced by strong asymmetries can be relaxed via both bulk and surface order reconstruction, occurring close to a confining plate with different time duration.

  14. Curved grating fabrication techniques for concentric-circle grating, surface-emitting semiconductor lasers

    NASA Technical Reports Server (NTRS)

    Jordan, Rebecca H.; King, Oliver; Wicks, Gary W.; Hall, Dennis G.; Anderson, Erik H.; Rooks, Michael J.

    1993-01-01

    We describe the fabrication and operational characteristics of a novel, surface-emitting semiconductor laser that makes use of a concentric-circle grating to both define its resonant cavity and to provide surface emission. A properly fabricated circular grating causes the laser to operate in radially inward- and outward-going circular waves in the waveguide, thus, introducing the circular symmetry needed for the laser to emit a beam with a circular cross-section. The basic circular-grating-resonator concept can be implemented in any materials system; an AlGaAs/GaAs graded-index, separate confinement heterostructure (GRINSCH), single-quantum-well (SQW) semiconductor laser, grown by molecular beam epitaxy (MBE), was used for the experiments discussed here. Each concentric-circle grating was fabricated on the surface of the AlGaAs/GaAs semiconductor laser. The circular pattern was first defined by electron-beam (e-beam) lithography in a layer of polymethylmethacrylate (PMMA) and subsequently etched into the semiconductor surface using chemically-assisted (chlorine) ion-beam etching (CAIBE). We consider issues that affect the fabrication and quality of the gratings. These issues include grating design requirements, data representation of the grating pattern, and e-beam scan method. We provide examples of how these techniques can be implemented and their impact on the resulting laser performance. A comparison is made of the results obtained using two fundamentally different electron-beam writing systems. Circular gratings with period lambda = 0.25 microns and overall diameters ranging from 80 microns to 500 microns were fabricated. We also report our successful demonstration of an optically pumped, concentric-circle grating, semiconductor laser that emits a beam with a far-field divergence angle that is less than one degree. The emission spectrum is quite narrow (less than 0.1 nm) and is centered at wavelength lambda = 0.8175 microns.

  15. First-principles investigations of III-nitride bulk and surface properties

    NASA Astrophysics Data System (ADS)

    Dreyer, Cyrus Eduard

    The III-nitride semiconductors, including AlN, InN, GaN, and BN have been demonstrated as technologically exciting materials for a wide range of device applications. With band gaps that span the visible range, GaN, InN, and InGaN alloys are used for high efficiency light emitting diodes for general lighting, as well as laser diodes for optical storage. The wide gaps, large band offsets, and polarization fields in AlN, GaN, and AlGaN alloys are promising for high-frequency, high-power transistors with applications in power conversion and radio frequency amplifiers. Despite the plethora of attractive material parameters of the III-nitride materials there are several issues that significantly limit the efficiency of devices and range of possible applications. In this study, we use first-principles electronic structure calculations to explore several of these properties relevant to understanding growth, processing, and device design. Arguably the most detrimental issue in this material system is the lack of widely available, cost-effective substrates for the growth of films and devices. Heteroepitaxy, as well as the lattice mismatch between the layers of different III-nitride alloys in heterostructures, results in residual stresses in films and devices. Such stress will alter the electronic structure of the materials, so it is necessary for device design to be able to quantify these effects. We explore the influence of strain on the effective mass of carriers in GaN and AlN, a parameter that is tied to the conductivity. In addition, films under tensile strain can crack if the strain energy is sufficient. We explore the propensity for AlN, GaN, and AlGaN to crack on different crystallographic planes. There has been significant work done to overcome the issue of residual strains in III-nitride films, both through the growth of bulk crystals for substrates, and the growth of structures such as nanowires that avoid many of the thickness and alloy-content limitations of

  16. Nanoscale surface structuring during ion bombardment of elemental semiconductors

    NASA Astrophysics Data System (ADS)

    Anzenberg, Eitan

    2013-01-01

    Nano-patterning of surfaces with uniform ion bombardment yields a rich phase-space of topographic patterns. Particle irradiation can cause surface ultra-smoothing or self-organized nanoscale pattern formation in surface topography. Topographic pattern formation has previously been attributed to the effects of the removal of target atoms by sputter erosion. In this thesis, the surface morphology evolution of Si(100) and Ge(100) during low energy ion bombardment of Ar+ and Kr+ ions, respectively, is studied. Our facilities for studies of surface processes at the National Synchrotron Light Source (NSLS) allow in-situ characterization of surface morphology evolution during ion bombardment using grazing incidence small angle x-ray scattering (GISAXS). This technique is used to measure in reciprocal space the kinetics of formation or decay of correlated nanostructures on the surface, effectively measuring the height-height correlations. A linear model is used to characterize the early time kinetic behavior during ion bombardment as a function of ion beam incidence angle. The curvature coefficients predicted by the widely used erosive model of Bradley and Harper are quantitatively negligible and of the wrong sign when compared to the observed effect in both Si and Ge. A mass-redistribution model explains the observed ultra-smoothing at low angles, exhibits an instability at higher angles, and predicts the observed 45° critical angle separating these two regimes in Si. The Ge surface evolution during Kr+ irradiation is qualitatively similar to that observed for Ar+ irradiation of Si at the same ion energy. However, the critical angle for Ge cannot be quantitatively reproduced by the simple mass redistribution model. Crater function theory, as developed by Norris et al., incorporates both mass redistributive and erosive effects, and predicts constraining relationships between curvature coefficients. These constraints are compared to experimental data of both Si and Ge

  17. Carbon dioxide capture by an amine functionalized ionic liquid: fundamental differences of surface and bulk behavior.

    PubMed

    Niedermaier, Inga; Bahlmann, Matthias; Papp, Christian; Kolbeck, Claudia; Wei, Wei; Krick Calderón, Sandra; Grabau, Mathias; Schulz, Peter S; Wasserscheid, Peter; Steinrück, Hans-Peter; Maier, Florian

    2014-01-08

    Carbon dioxide (CO2) absorption by the amine-functionalized ionic liquid (IL) dihydroxyethyldimethylammonium taurinate at 310 K was studied using surface- and bulk-sensitive experimental techniques. From near-ambient pressure X-ray photoelectron spectroscopy at 0.9 mbar CO2, the amount of captured CO2 per mole of IL in the near-surface region is quantified to ~0.58 mol, with ~0.15 mol in form of carbamate dianions and ~0.43 mol in form of carbamic acid. From isothermal uptake experiments combined with infrared spectroscopy, CO2 is found to be bound in the bulk as carbamate (with nominally 0.5 mol of CO2 bound per 1 mol of IL) up to ~2.5 bar CO2, and as carbamic acid (with nominally 1 mol CO2 bound per 1 mol IL) at higher pressures. We attribute the fact that at low pressures carbamic acid is the dominating species in the near-surface region, while only carbamate is formed in the bulk, to differences in solvation in the outermost IL layers as compared to the bulk situation.

  18. Chemical surface deposition of ultra-thin semiconductors

    DOEpatents

    McCandless, Brian E.; Shafarman, William N.

    2003-03-25

    A chemical surface deposition process for forming an ultra-thin semiconducting film of Group IIB-VIA compounds onto a substrate. This process eliminates particulates formed by homogeneous reactions in bath, dramatically increases the utilization of Group IIB species, and results in the formation of a dense, adherent film for thin film solar cells. The process involves applying a pre-mixed liquid coating composition containing Group IIB and Group VIA ionic species onto a preheated substrate. Heat from the substrate causes a heterogeneous reaction between the Group IIB and VIA ionic species of the liquid coating composition, thus forming a solid reaction product film on the substrate surface.

  19. Study of the ink-paper interaction by image analysis: surface and bulk inspection

    NASA Astrophysics Data System (ADS)

    Fiadeiro, Paulo T.; de O. Mendes, António; M. Ramos, Ana M.; L. de Sousa, Sónia C.

    2013-11-01

    In this work, two optical systems previously designed and implemented by our research team, were used to enable the surface and bulk inspection of the ink-paper interaction by image analysis. Basically, the first system works by ejecting micro-liter ink drops onto the papers surface while monitoring the event under three different views over time. The second system is used for sectioning the paper samples through their thickness and to simultaneously acquire images of the ink penetration of each section cut. In the performed experiments, three black inks of different brands and a common copy paper were chosen, used, and tested with the two developed optical systems. Both qualitative and quantitative analyses were carried out at the surface level and in the bulk of the paper. In terms of conclusions, it was shown that the three tested ink-paper combinations revealed very distinct characteristics.

  20. Bulk transport measurements in ZnO: The effect of surface electron layers

    NASA Astrophysics Data System (ADS)

    Allen, M. W.; Swartz, C. H.; Myers, T. H.; Veal, T. D.; McConville, C. F.; Durbin, S. M.

    2010-02-01

    Magnetotransport measurements and x-ray photoemission spectroscopy were used to investigate the surface conductivity of ZnO. Near-surface downward band bending, consistent with electron accumulation, was found on the polar and nonpolar faces of bulk ZnO single crystals. A significant polarity effect was observed in that the downward band bending was consistently stronger on the Zn-polar face and weaker on the O-polar face. The surface electron accumulation layer was found to significantly influence the electrical properties of high resistivity, hydrothermally grown bulk ZnO crystals at temperatures below 200 K, and is largely responsible for the anomalously low electron mobility reported for this material.

  1. PLASMA TREATMENT OF BULK Nb SURFACE IN THE Ar/Cl2 DISCHARGE

    SciTech Connect

    Marija Raskovic; H. Phillips; Anne-Marie Valente

    2008-02-12

    The preparation of the cavity walls has been one of the major challenges in the superconducting radio-frequency (SRF) accelerator technology. Therefore, constant research and development effort is devoted to develop surface preparation processes that will improve roughness and lower the level of impurities, like hydrogen or oxygen, embedded in bulk Nb, having in the same time reasonable etching rates. Plasma based surface modification provides an excellent opportunity to achieve these goals. We present Ar/Cl2 discharge treatment of bulk Nb where we achieved etching rates comparable to the rates obtained with the electropolishing method without introducing impurities in Nb. The current experiments were performed on disk shaped Nb samples, exposed to plasma produced in a microwave discharge system. Surface composition and topology measurements were carried out before and after plasma treatment. Upon determining optimal experimental conditions on disk shaped samples, we will apply the same procedure on the single cell cavities, pursuing improvement of their RF performance.

  2. Surface plasmon polariton assisted red shift in excitonic emission of semiconductor microflowers

    NASA Astrophysics Data System (ADS)

    Parameswaran, Chithra; Warrier, Anita R.; Bingi, Jayachandra; Vijayan, C.

    2014-10-01

    We report on the study of metal nanoparticle-semiconductor hybrid system composed of β-indium sulfide (β-In2S3) and gold (Au) nanoparticles. β-In2S3 micron sized flower like structures (˜1 μm) and Au nanoparticles (˜10 nm) were synthesized by chemical route. These Au nanoparticles have surface plasmon resonance at ˜ 520 nm. We study the influence of Au surface plasmon polaritons on the radiative properties of the β-In2S3 microflowers. As a result of the coupling between the surface plasmon polaritons and the excitons there is a red shift ˜ 50 nm in emission spectrum of hybrid β-In2S3-Au system. Such hybrid systems provide scope for a control on the optical properties of semiconductor microstructures, thus rendering them suitable for specific device applications in optoelectronics and photovoltaics.

  3. Vapor-Liquid-Solid Etch of Semiconductor Surface Channels by Running Gold Nanodroplets

    PubMed Central

    Nikoobakht, Babak; Herzing, Andrew; Muramoto, Shin; Tersoff, Jerry

    2016-01-01

    We show that Au nanoparticles spontaneously move across the (001) surface of InP, InAs, and GaP when heated in the presence of water vapor. As they move, the particles etch crystallographically aligned grooves into the surface. We show that this process is a negative analog of the vapor-liquid-solid (VLS) growth of semiconductor nanowires: semiconductor dissolves into the catalyst, and reacts with water vapor at the catalyst surface to create volatile oxides, depleting the dissolved cations and anions and so sustaining the dissolution process. This VLS etching process provides a new tool for directed assembly of structures with sub-lithographic dimensions, as small as a few nanometers in diameter. Au particles above 100 nm in size do not exhibit this process but remain stationary, with oxide accumulating around the particles. PMID:26599639

  4. Surface plasmon polariton assisted red shift in excitonic emission of semiconductor microflowers

    SciTech Connect

    Parameswaran, Chithra; Warrier, Anita R. Bingi, Jayachandra Vijayan, C.

    2014-10-15

    We report on the study of metal nanoparticle-semiconductor hybrid system composed of β-indium sulfide (β-In{sub 2}S{sub 3}) and gold (Au) nanoparticles. β-In{sub 2}S{sub 3} micron sized flower like structures (∼1 μm) and Au nanoparticles (∼10 nm) were synthesized by chemical route. These Au nanoparticles have surface plasmon resonance at ∼ 520 nm. We study the influence of Au surface plasmon polaritons on the radiative properties of the β-In{sub 2}S{sub 3} microflowers. As a result of the coupling between the surface plasmon polaritons and the excitons there is a red shift ∼ 50 nm in emission spectrum of hybrid β-In{sub 2}S{sub 3}-Au system. Such hybrid systems provide scope for a control on the optical properties of semiconductor microstructures, thus rendering them suitable for specific device applications in optoelectronics and photovoltaics.

  5. Atomic-level imaging, processing and characterization of semiconductor surfaces

    DOEpatents

    Kazmerski, L.L.

    1995-08-22

    A method for selecting and removing single specific atoms from a solid material surface uses photon biasing to break down bonds that hold the selected atom in the lattice and to reduce barrier effects that hold the atom from transferring to a probe. The photon bias is preferably light or other electromagnetic radiation with a wavelength and frequency that approximately matches the wave function of the target atom species to be removed to induce high energy, selective thermionic-like vibration. An electric field potential is then applied between the probe and the surface of the solid material to pull the atom out of the lattice and to transfer the atom to the probe. Different extrinsic atoms can be installed in the lattice sites that are vacated by the removed atoms by using a photon bias that resonates the extrinsic atom species, reversing polarity of the electric field, and blowing gas comprising the extrinsic atoms through a hollow catheter probe. 8 figs.

  6. Atomic-level imaging, processing and characterization of semiconductor surfaces

    DOEpatents

    Kazmerski, Lawrence L.

    1995-01-01

    A method for selecting and removing single specific atoms from a solid material surface uses photon biasing to break down bonds that hold the selected atom in the lattice and to reduce barrier effects that hold the atom from transferring to a probe. The photon bias is preferably light or other electromagnetic radiation with a wavelength and frequency that approximately matches the wave function of the target atom species to be removed to induce high energy, selective thermionic-like vibration. An electric field potential is then applied between the probe and the surface of the solid material to pull the atom out of the lattice and to transfer the atom to the probe. Different extrinsic atoms can be installed in the lattice sites that are vacated by the removed atoms by using a photon bias that resonates the extrinsic atom species, reversing polarity of the electric field, and blowing gas comprising the extrinsic atoms through a hollow catheter probe.

  7. Bulk-surface relationship of an electronic structure for high-throughput screening of metal oxide catalysts

    NASA Astrophysics Data System (ADS)

    Kweun, Joshua Minwoo; Li, Chenzhe; Zheng, Yongping; Cho, Maenghyo; Kim, Yoon Young; Cho, Kyeongjae

    2016-05-01

    Designing metal-oxides consisting of earth-abundant elements has been a crucial issue to replace precious metal catalysts. To achieve efficient screening of metal-oxide catalysts via bulk descriptors rather than surface descriptors, we investigated the relationship between the electronic structure of bulk and that of the surface for lanthanum-based perovskite oxides, LaMO3 (M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu). Through density functional theory calculations, we examined the d-band occupancy of the bulk and surface transition-metal atoms (nBulk and nSurf) and the adsorption energy of an oxygen atom (Eads) on (001), (110), and (111) surfaces. For the (001) surface, we observed strong correlation between the nBulk and nSurf with an R-squared value over 94%, and the result was interpreted in terms of ligand field splitting and antibonding/bonding level splitting. Moreover, the Eads on the surfaces was highly correlated with the nBulk with an R-squared value of more than 94%, and different surface relaxations could be explained by the bulk electronic structure (e.g., LaMnO3 vs. LaTiO3). These results suggest that a bulk-derived descriptor such as nBulk can be used to screen metal-oxide catalysts.

  8. Direct laser fabrication of nanowires on semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Haghizadeh, Anahita; Yang, Haeyeon

    2016-03-01

    Periodic nanowires are observed from (001) orientation of Si and GaAs when the surfaces are irradiated interferentially by high power laser pulses. These nanowires are self-assembled and can be strain-free while their period is consistent with interference period. The nanowire morphologies are studied by atomic force microscopy. The observed period between nanowires depends on the wavelengths used and interference angle. The nanowire width increases with laser intensity. The narrowest nanowires observed have the width smaller than 20 nm, which is more than 10 times smaller than the interference period.

  9. Bulk electrical properties of single-walled carbon nanotubes immobilized by dielectrophoresis: evidence of metallic or semiconductor behavior.

    PubMed

    Mureau, Natacha; Watts, Paul C P; Tison, Yann; Silva, S Ravi P

    2008-06-01

    We report the electrical characterization of single-walled carbon nanotubes (SWCNTs) trapped between two electrodes by dielectrophoresis (DEP). At high frequency, SWCNTs collected by DEP are expected to be of metallic type. Indeed current-voltage (I-V) measurements for devices made at 10 MHz show high values of conductivity and exhibit metallic behavior with linear and symmetric electrical features attributed to ohmic conduction. At low frequency, SWCNTs attracted by DEP are expected to be of semiconducting nature. Devices made at 10 kHz behave as semiconductors and demonstrate nonlinear and rectifying electrical characteristics with conductivities many orders of magnitude below the sample resulting from high-frequency immobilization of SWCNTs. Conducting atomic force microscopy (C-AFM) and current density calculation results are presented to reinforce results obtained by I-V measurements which clearly show type separation of SWCNTs after DEP experiments.

  10. Novel Surface Preparation and Contacts for CdZnTe Nuclear Radiation Detectors Using Patterned Films of Semiconductors and Insulators

    NASA Astrophysics Data System (ADS)

    Burger, Arnold; Groza, Michael; Conway, Adam; Payne, Steve

    2013-04-01

    The semiconductor Cadmium Zinc Telluride (CZT) has emerged as the material of choice for room temperature detection of X-rays and gamma-rays. The detectors will cover the energy range from 30 keV to several MeV, and will achieve excellent 662 keV energy resolution. The development of high resolution gamma ray detectors based on CZT is dependent on low electronic noise levels. One common source of noise is the surface leakage current, which limits the performance of advanced readout schemes such as the coplanar grid and pixelated architectures with steering grids. Excessive bulk leakage current can result from one of several surface effects: leaky native oxides, unsatisfied bonds, and surface damage. We propose to fabricate and test oriented [111] CZT crystals with thicknesses up to 1.5 cm with an innovative detection technique based on co-planar or other electron only transport designs using plasma processing, thin film sputtering, chemical passivation and wet etching techniques. Compared to conventional pixel detectors, the proposed contact configuration needs lower power consumption and a lower cost. The detector design can be used for building very low-cost handheld radiation detection devices.

  11. 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.

  12. Surface-state spin textures in strained bulk HgTe: Strain-induced topological phase transitions

    NASA Astrophysics Data System (ADS)

    Kirtschig, Frank; van den Brink, Jeroen; Ortix, Carmine

    2016-12-01

    The opening of a band gap due to compressive uniaxial strain renders bulk HgTe a strong three-dimensional topological insulator with protected gapless surface states at any surface. By employing a six-band k .p model, we determine the spin textures of the topological surface states of bulk HgTe uniaxially strained along the (100 ) direction. We show that at the (010 ) and (001 ) surfaces, an increase in the strain magnitude triggers a topological phase transition where the winding number of the surface-state spin texture is flipped while the four topological invariants characterizing the bulk band structure of the material are unchanged.

  13. Surface and bulk modified high capacity layered oxide cathodes with low irreversible capacity loss

    DOEpatents

    Manthiram, Arumugam; Wu, Yan

    2010-03-16

    The present invention includes compositions, surface and bulk modifications, and methods of making of (1-x)Li[Li.sub.1/3Mn.sub.2/3]O.sub.2.xLi[Mn.sub.0.5-yNi.sub.0.5-yCo.sub.2- y]O.sub.2 cathode materials having an O3 crystal structure with a x value between 0 and 1 and y value between 0 and 0.5, reducing the irreversible capacity loss in the first cycle by surface modification with oxides and bulk modification with cationic and anionic substitutions, and increasing the reversible capacity to close to the theoretical value of insertion/extraction of one lithium per transition metal ion (250-300 mAh/g).

  14. Imaging of surface spin textures on bulk crystals by scanning electron microscopy

    PubMed Central

    Akamine, Hiroshi; Okumura, So; Farjami, Sahar; Murakami, Yasukazu; Nishida, Minoru

    2016-01-01

    Direct observation of magnetic microstructures is vital for advancing spintronics and other technologies. Here we report a method for imaging surface domain structures on bulk samples by scanning electron microscopy (SEM). Complex magnetic domains, referred to as the maze state in CoPt/FePt alloys, were observed at a spatial resolution of less than 100 nm by using an in-lens annular detector. The method allows for imaging almost all the domain walls in the mazy structure, whereas the visualisation of the domain walls with the classical SEM method was limited. Our method provides a simple way to analyse surface domain structures in the bulk state that can be used in combination with SEM functions such as orientation or composition analysis. Thus, the method extends applications of SEM-based magnetic imaging, and is promising for resolving various problems at the forefront of fields including physics, magnetics, materials science, engineering, and chemistry. PMID:27872493

  15. Imaging of surface spin textures on bulk crystals by scanning electron microscopy

    NASA Astrophysics Data System (ADS)

    Akamine, Hiroshi; Okumura, So; Farjami, Sahar; Murakami, Yasukazu; Nishida, Minoru

    2016-11-01

    Direct observation of magnetic microstructures is vital for advancing spintronics and other technologies. Here we report a method for imaging surface domain structures on bulk samples by scanning electron microscopy (SEM). Complex magnetic domains, referred to as the maze state in CoPt/FePt alloys, were observed at a spatial resolution of less than 100 nm by using an in-lens annular detector. The method allows for imaging almost all the domain walls in the mazy structure, whereas the visualisation of the domain walls with the classical SEM method was limited. Our method provides a simple way to analyse surface domain structures in the bulk state that can be used in combination with SEM functions such as orientation or composition analysis. Thus, the method extends applications of SEM-based magnetic imaging, and is promising for resolving various problems at the forefront of fields including physics, magnetics, materials science, engineering, and chemistry.

  16. Glass formation, chemical properties and surface analysis of Cu-based bulk metallic glasses.

    PubMed

    Qin, Chunling; Zhao, Weimin; Inoue, Akihisa

    2011-01-01

    This paper reviews the influence of alloying elements Mo, Nb, Ta and Ni on glass formation and corrosion resistance of Cu-based bulk metallic glasses (BMGs). In order to obtain basic knowledge for application to the industry, corrosion resistance of the Cu-Hf-Ti-(Mo, Nb, Ta, Ni) and Cu-Zr-Ag-Al-(Nb) bulk glassy alloy systems in various solutions are reported in this work. Moreover, X-ray photoelectron spectroscopy (XPS) analysis is performed to clarify the surface-related chemical characteristics of the alloy before and after immersion in the solutions; this has lead to a better understanding of the correlation between the surface composition and the corrosion resistance.

  17. Imaging of surface spin textures on bulk crystals by scanning electron microscopy.

    PubMed

    Akamine, Hiroshi; Okumura, So; Farjami, Sahar; Murakami, Yasukazu; Nishida, Minoru

    2016-11-22

    Direct observation of magnetic microstructures is vital for advancing spintronics and other technologies. Here we report a method for imaging surface domain structures on bulk samples by scanning electron microscopy (SEM). Complex magnetic domains, referred to as the maze state in CoPt/FePt alloys, were observed at a spatial resolution of less than 100 nm by using an in-lens annular detector. The method allows for imaging almost all the domain walls in the mazy structure, whereas the visualisation of the domain walls with the classical SEM method was limited. Our method provides a simple way to analyse surface domain structures in the bulk state that can be used in combination with SEM functions such as orientation or composition analysis. Thus, the method extends applications of SEM-based magnetic imaging, and is promising for resolving various problems at the forefront of fields including physics, magnetics, materials science, engineering, and chemistry.

  18. Surface and bulk modified high capacity layered oxide cathodes with low irreversible capacity loss

    NASA Technical Reports Server (NTRS)

    Manthiram, Arumugam (Inventor); Wu, Yan (Inventor)

    2010-01-01

    The present invention includes compositions, surface and bulk modifications, and methods of making of (1-x)Li[Li.sub.1/3Mn.sub.2/3]O.sub.2.xLi[Mn.sub.0.5-yNi.sub.0.5-yCo.sub.2- y]O.sub.2 cathode materials having an O3 crystal structure with a x value between 0 and 1 and y value between 0 and 0.5, reducing the irreversible capacity loss in the first cycle by surface modification with oxides and bulk modification with cationic and anionic substitutions, and increasing the reversible capacity to close to the theoretical value of insertion/extraction of one lithium per transition metal ion (250-300 mAh/g).

  19. Distinct surface and bulk charge density waves in ultrathin 1 T -Ta S2

    NASA Astrophysics Data System (ADS)

    He, Rui; Okamoto, Junichi; Ye, Zhipeng; Ye, Gaihua; Anderson, Heidi; Dai, Xia; Wu, Xianxin; Hu, Jiangping; Liu, Yu; Lu, Wenjian; Sun, Yuping; Pasupathy, Abhay N.; Tsen, Adam W.

    2016-11-01

    We employ low-frequency Raman spectroscopy to study the nearly commensurate (NC) to commensurate (C) charge density wave (CDW) transition in 1 T -Ta S2 ultrathin flakes protected from oxidation. We identify additional modes originating from C-phase CDW phonons that are distinct from those seen in bulk 1 T -Ta S2 . We attribute these to CDW modes from the surface layers. By monitoring individual modes with temperature, we find that surfaces undergo a separate, low-hysteresis NC-C phase transition that is decoupled from the transition in the bulk layers. This indicates the activation of a secondary phase nucleation process in the limit of weak interlayer interaction, which can be understood from energy considerations.

  20. Metal-oxide-semiconductor field effect transistor humidity sensor using surface conductance

    NASA Astrophysics Data System (ADS)

    Song, Seok-Ho; Yang, Hyun-Ho; Han, Chang-Hoon; Ko, Seung-Deok; Lee, Seok-Hee; Yoon, Jun-Bo

    2012-03-01

    This letter presents a metal-oxide-semiconductor field effect transistor based humidity sensor which does not use any specific materials to sense the relative humidity. We simply make use of the low pressure chemical vapor deposited (LPCVD) silicon dioxide's surface conductance change. When the gate is biased and then floated, the electrical charge in the gate is dissipated through the LPCVD silicon dioxide's surface to the surrounding ground with a time constant depending on the surface conductance which, in turn, varies with humidity. With this method, extremely high sensitivity was achieved—the charge dissipation speed increased thousand times as the relative humidity increased.

  1. 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.

  2. 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

  3. 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.

  4. Compositional correlation and anticorrelation in quaternary alloys: competition between bulk thermodynamics and surface kinetics.

    PubMed

    Albrecht, M; Abu-Farsakh, H; Remmele, T; Geelhaar, L; Riechert, H; Neugebauer, J

    2007-11-16

    We analyze the atomistic mechanisms driving the compositional correlation of In and N in the quaternary Inx Ga1-xAs1-yNy alloys combining atomic scale chemical analysis in transmission electron microscopy and density-functional theory calculations. Our results show that for typical growth conditions surface kinetics prevail over bulk thermodynamics resulting in a hitherto unexpected compositional anticorrelation between In and N.

  5. Bulk anisotropic excitons in type-II semiconductors built with 1D and 2D low-dimensional structures

    NASA Astrophysics Data System (ADS)

    Coyotecatl, H. A.; Del Castillo-Mussot, M.; Reyes, J. A.; Vazquez, G. J.; Montemayor-Aldrete, J. A.; Reyes-Esqueda, J. A.; Cocoletzi, G. H.

    2005-08-01

    We used a simple variational approach to account for the difference in the electron and hole effective masses in Wannier-Mott excitons in type-II semiconducting heterostructures in which the electron is constrained in an one-dimensional quantum wire (1DQW) and the hole is in a two-dimensional quantum layer (2DQL) perpendicular to the wire or viceversa. The resulting Schrodinger equation is similar to that of a 3D bulk exciton because the number of free (nonconfined) variables is three; two coming from the 2DQL and one from the 1DQW. In this system the effective electron-hole interaction depends on the confinement potentials.

  6. Superconducting topological surface states in the noncentrosymmetric bulk superconductor PbTaSe2

    PubMed Central

    Guan, Syu-You; Chen, Peng-Jen; Chu, Ming-Wen; Sankar, Raman; Chou, Fangcheng; Jeng, Horng-Tay; Chang, Chia-Seng; Chuang, Tien-Ming

    2016-01-01

    The search for topological superconductors (TSCs) is one of the most urgent contemporary problems in condensed matter systems. TSCs are characterized by a full superconducting gap in the bulk and topologically protected gapless surface (or edge) states. Within each vortex core of TSCs, there exists the zero-energy Majorana bound states, which are predicted to exhibit non-Abelian statistics and to form the basis of the fault-tolerant quantum computation. To date, no stoichiometric bulk material exhibits the required topological surface states (TSSs) at the Fermi level (EF) combined with fully gapped bulk superconductivity. We report atomic-scale visualization of the TSSs of the noncentrosymmetric fully gapped superconductor PbTaSe2. Using quasi-particle scattering interference imaging, we find two TSSs with a Dirac point at E ≅ 1.0 eV, of which the inner TSS and the partial outer TSS cross EF, on the Pb-terminated surface of this fully gapped superconductor. This discovery reveals PbTaSe2 as a promising candidate for TSC. PMID:28138520

  7. Differentiation of surface and bulk conductivities in topological insulator via four-probe spectroscopy

    NASA Astrophysics Data System (ADS)

    Li, An-Ping; Durand, Corentin; Hus, Saban; Zhang, Xiaoguang; McGuire, Michael; Chen, Yong

    The direct measurement of the topological surface states (TSS) conductivity is often hard to achieve due to the pronounced contribution from the bulk conduction channel. Here, we show a new method to differentiate conductivities from the surface states and the coexisting bulk states in topological insulators (TI) using a four-probe transport spectroscopy in a multi-probe scanning tunneling microscopy system. In contrast to conventional models that assume two resistors in parallel to count for both the TSS and bulk conductance channels, we derive a scaling relation of measured resistance with respect to varying inter-probe spacing for two interconnected conduction channels, which allows quantitative determination of conductivities from both channels. Using this method, we demonstrate the separation of 2D and 3D conduction in TI by comparing the conductance scaling of Bi2Se3, Bi2Te2Se, and Sb-doped Bi2Se3 with that of a pure 2D conductance of graphene on SiC substrate. We also quantitatively show the effect of surface doping carriers on the 2D conductance enhancement in TI. The method offers an approach to understanding not just the topological insulators but also the 2D to 3D crossover of conductance in other complex systems. This research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility.

  8. Superconducting topological surface states in the noncentrosymmetric bulk superconductor PbTaSe2.

    PubMed

    Guan, Syu-You; Chen, Peng-Jen; Chu, Ming-Wen; Sankar, Raman; Chou, Fangcheng; Jeng, Horng-Tay; Chang, Chia-Seng; Chuang, Tien-Ming

    2016-11-01

    The search for topological superconductors (TSCs) is one of the most urgent contemporary problems in condensed matter systems. TSCs are characterized by a full superconducting gap in the bulk and topologically protected gapless surface (or edge) states. Within each vortex core of TSCs, there exists the zero-energy Majorana bound states, which are predicted to exhibit non-Abelian statistics and to form the basis of the fault-tolerant quantum computation. To date, no stoichiometric bulk material exhibits the required topological surface states (TSSs) at the Fermi level (EF) combined with fully gapped bulk superconductivity. We report atomic-scale visualization of the TSSs of the noncentrosymmetric fully gapped superconductor PbTaSe2. Using quasi-particle scattering interference imaging, we find two TSSs with a Dirac point at E ≅ 1.0 eV, of which the inner TSS and the partial outer TSS cross EF, on the Pb-terminated surface of this fully gapped superconductor. This discovery reveals PbTaSe2 as a promising candidate for TSC.

  9. Analysis of bulk and surface contributions in the neutron skin of nuclei

    SciTech Connect

    Warda, M.; Vinas, X.; Roca-Maza, X.; Centelles, M.

    2010-05-15

    The neutron skin thickness of nuclei is a sensitive probe of the nuclear symmetry energy and has multiple implications for nuclear and astrophysical studies. However, precision measurements of this observable are difficult to obtain. The analysis of the experimental data may imply some assumptions about the bulk or surface nature of the formation of the neutron skin. Here we study the bulk or surface character of neutron skins of nuclei following from calculations with Gogny, Skyrme, and covariant nuclear mean-field interactions. These interactions are successful in describing nuclear charge radii and binding energies but predict different values for neutron skins. We perform the study by fitting two-parameter Fermi distributions to the calculated self-consistent neutron and proton densities. We note that the equivalent sharp radius is a more suitable reference quantity than the half-density radius parameter of the Fermi distributions to discern between the bulk and surface contributions in neutron skins. We present calculations for nuclei in the stability valley and for the isotopic chains of Sn and Pb.

  10. Bulk and surface phase transitions in the three-dimensional O(4) spin model

    NASA Astrophysics Data System (ADS)

    Deng, Youjin

    2006-05-01

    We investigate the O(4) spin model on the simple-cubic lattice by means of the Wolff cluster algorithm. Using the toroidal boundary condition, we locate the bulk critical point at coupling Kc=0.935856(2) , and determine the bulk thermal magnetic renormalization exponents as yt=1.3375(15) and yh=2.4820(2) , respectively. The universal ratio Q=⟨m2⟩2/⟨m4⟩ is also determined as 0.9142(1). The precision of these estimates significantly improves over that of the existing results. Then, we simulate the critical O(4) model with two open surfaces on which the coupling strength K1 can be varied. At the ordinary transitions, the surface magnetic exponent is determined as yh1(o)=1.0202(12) . Further, we find a so-called special surface transition at κ=K1/K-1=1.258(20) . At this point, the surface thermal exponent yt1(s) is rather close to zero, and we cannot exclude that the corresponding surface transition is Kosterlitz-Thouless-like. The surface magnetic exponent is yh1(s)=1.816(2) .

  11. Bulk and surface phase transitions in the three-dimensional O4 spin model.

    PubMed

    Deng, Youjin

    2006-05-01

    We investigate the O(4) spin model on the simple-cubic lattice by means of the Wolff cluster algorithm. Using the toroidal boundary condition, we locate the bulk critical point at coupling K(c) = 0.935 856(2), and determine the bulk thermal magnetic renormalization exponents as y(t) = 1.337 5(15) and y(h) = 2.482 0(2), respectively. The universal ratio Q=m(2)(2)/m(4) is also determined as 0.9142(1). The precision of these estimates significantly improves over that of the existing results. Then, we simulate the critical O(4) model with two open surfaces on which the coupling strength K(1) can be varied. At the ordinary transitions, the surface magnetic exponent is determined as y((o))(h1) = 1.020 2(12). Further, we find a so-called special surface transition at (k) = K(1)/K-1 = 1.258(20). At this point, the surface thermal exponent y(s)(t1) is rather close to zero, and we cannot exclude that the corresponding surface transition is Kosterlitz-Thouless-like. The surface magnetic exponent is y((s))/h1 = 1.816(2).

  12. Relative influence of surface states and bulk impurities on the electrical properties of Ge nanowires.

    PubMed

    Zhang, Shixiong; Hemesath, Eric R; Perea, Daniel E; Wijaya, Edy; Lensch-Falk, Jessica L; Lauhon, Lincoln J

    2009-09-01

    We quantitatively examine the relative influence of bulk impurities and surface states on the electrical properties of Ge nanowires with and without phosphorus (P) doping. The unintentional impurity concentration in nominally undoped Ge nanowires is less than 2 x 10(17) cm(-3) as determined by atom probe tomography. Surprisingly, P doping of approximately 10(18) cm(-3) reduces the nanowire conductivity by 2 orders of magnitude. By modeling the contributions of dopants, impurities, and surface states, we confirm that the conductivity of nominally undoped Ge nanowires is mainly due to surface state induced hole accumulation rather than impurities introduced by catalyst. In P-doped nanowires, the surface states accept the electrons generated by the P dopants, reducing the conductivity and leading to ambipolar behavior. In contrast, intentional surface-doping results in a high conductivity and recovery of n-type characteristics.

  13. Improvement of the Sintered Surface and Bulk of the Product Via Differentiating Laser Sintering (Melting) Modes

    NASA Astrophysics Data System (ADS)

    Saprykina, N. A.; Saprykin, A. A.; Arkhipova, D. A.; Borovikov, I. F.

    2016-08-01

    Selective laser sintering (melting) enables using metal powdered materials to manufacture products of any geometrical complexity, requiring no preliminary costs to prepare processing equipment. However, quality of the sintered surface is often inadequate as against the product manufactured traditionally. Manufacturing a high quality product requires solution of such vital task as prediction of the sintered surface roughness. The authors address to the effect of laser sintering modes on roughness of the surface, sintered of copper powdered material PMS-l (IIMC-1). The dependence of roughness of the surface layer sintered of copper powder material PMS-l upon sintering process conditions is expressed mathematically. The authors suggest differentiating sintering modes to improve the sintered surface and the bulk of the product and dividing them into rough, semi-finishing, and finishing ones.

  14. Chalcogenopyrylium Dyes with Anchors to Nanoparticle and Semiconductor Surfaces

    NASA Astrophysics Data System (ADS)

    Bedics, Matthew Allen

    Surface enhanced Raman scattering (SERS) has gained widespread attention as a biomedical imaging technique due to its multiplexing capabilities and the low limits of detection (LODs) of SERS-nanoprobes. The library of available reporter molecules, which are used to generate unique SERS spectra, was previously limited to commercially available dyes or a small group of cyanine reporters. Herein, the design and synthesis of a novel group of chalcogenopyrylium SERS reporters is described. These dyes have a high affinity for Au and absorption maxima that range into the NIR region. These reporter molecules enabled the use of the 1280 nm laser, which was previously incompatible with SERS imaging. Also, nanoprobe LODs using these dyes as reporters are lower than any previously documented systems, with a 100 aM LOD using a 785 nm excitation and multiple examples of fM to pM LODs using a 1064 nm or 1280 nm excitation source. Nanoprobes functionalized with these compounds have also been successfully utilized in vivo, and produce more intense SERS spectra as compared to a commonly used cyanine reporter. Dye sensitized solar cells (DSSCs) have produced considerable interest as an alternative to conventionally used Si-based solar cells. Specifically, DSSCs that use metal-free organic dyes as sensitizers are important due to the lower cost and the use of earth abundant materials as starting materials. Herein, a group of chalcogenopyrylium dyes were appended with an anchoring group to TiO2, which enables the use of these dyes as sensitizers. Structural modifications were used to extend absorption maxima into the near-infrared region of the light spectrum and to evaluate the effect that dye aggregation has on device performance. The monomethine dyes successfully produced a photocurrent, with incident photon to current efficiency values as high as 20%. Aggregation was found to benefit these systems due to the spectral broadening of aggregated dyes, and consequent increased range of

  15. High-coherent-power, two-dimensional grating surface-emitting (GSE) semiconductor lasers

    NASA Astrophysics Data System (ADS)

    Li, Shuang

    High-power semiconductor lasers, with coherent radiation, are attractive sources for many applications. However, achieving stable, coherent radiation to watt-range power from monolithic semiconductor lasers has been a challenge. This work covers the study and development of high power coherent semiconductor lasers employing novel-types of both surface-emitting and edge-emitting structures. Surface-emitting (SE) semiconductor lasers are preferred over edge-emitting lasers due to their inherent reliability, scalability, and packaging advantages. Horizontal-cavity, grating SE semiconductor lasers are promising candidates for high-power coherent sources. Here we present the design and analysis of a two-dimensional (2D) horizontal-cavity GSE laser (so called ROW-SEDFB laser), for which 2nd-order, distributed feedback/distributed Bragg reflector (DFB/DBR) gratings with central pi phaseshift are preferentially placed in the element regions of a resonant-optical-waveguide (ROW) structure. We find that beside their usual functions (feedback and outcoupling), the gratings act as an effective array-mode selector. The in-phase mode is strongly favored to lase around its resonance due both to better field overlap with the active-grating (i.e., DFB) and to lower interelement loss than the other array modes. For 20-element arrays with 700/600mum-long DFB/DBR gratings, and of 100mum-wide lateral dimension, high intermodal discrimination is obtained. The primary mechanisms behind this discrimination are found to be: absorption losses for the interelement field to the metal contact and to a semiconductor/metal grating layer, and the longitudinal guided-field overlap with the DFB region. The discrimination can be further enhanced by introducing free-carrier absorption in the interelement regions. The device has relatively uniform guided-field profiles in both lateral and longitudinal directions and a strong built-in index profile in the lateral direction. These features make the ROW

  16. Topological Polymer Dispersed Liquid Crystals with Bulk Nematic Defect Lines Pinned to Handlebody Surfaces

    NASA Astrophysics Data System (ADS)

    Campbell, Michael G.; Tasinkevych, Mykola; Smalyukh, Ivan I.

    2014-05-01

    Polymer dispersed liquid crystals are a useful model system for studying the relationship between surface topology and defect structures. They are comprised of a polymer matrix with suspended spherical nematic drops and are topologically constrained to host defects of an elementary hedgehog charge per droplet, such as bulk or surface point defects or closed disclination loops. We control the genus of the closed surfaces confining such micrometer-sized nematic drops with tangential boundary conditions for molecular alignment imposed by the polymer matrix, allowing us to avoid defects or, on the contrary, to generate them in a controlled way. We show, both experimentally and through numerical modeling, that topological constraints in nematic microdrops can be satisfied by hosting topologically stable half-integer bulk defect lines anchored to opposite sides of handlebody surfaces. This enriches the interplay of topologies of closed surfaces and fields with nonpolar symmetry, yielding new unexpected configurations that cannot be realized in vector fields, having potential implications for topologically similar defects in cosmology and other fields.

  17. Bulk and surface properties of magnesium peroxide MgO2

    NASA Astrophysics Data System (ADS)

    Esch, Tobit R.; Bredow, Thomas

    2016-12-01

    Magnesium peroxide has been identified in Mg/air batteries as an intermediate in the oxygen reduction reaction (ORR) [1]. It is assumed that MgO2 is involved in the solid-electrolyte interphase on the cathode surface. Therefore its structure and stability play a crucial role in the performance of Mg/air batteries. In this work we present a theoretical study of the bulk and low-index surface properties of MgO2. All methods give a good account of the experimental lattice parameters for MgO2 and MgO bulk. The reaction energies, enthalpies and free energies for MgO2 formation from MgO are compared among the different DFT methods and with the local MP2 method. A pronounced dependence from the applied functional is found. At variance with a previous theoretical study but in agreement with recent experiments we find that the MgO2 formation reaction is endothermic (HSE06-D3BJ: ΔH = 51.9 kJ/mol). The stability of low-index surfaces MgO2 (001) (Es = 0.96 J/m2) and (011) (Es = 1.98 J/m2) is calculated and compared to the surface energy of MgO (001). The formation energy of neutral oxygen vacancies in the topmost layer of the MgO2 (001) surface is calculated and compared with defect formation energies for MgO (001).

  18. Nickel Alloy Primary Water Bulk Surface and SCC Corrosion Film Analytical Characterization and SCC Mechanistic Implications

    SciTech Connect

    Morton, D.; Lewis, N.; Hanson, M.; Rice, S.; Sanders, P.

    2007-04-18

    Alloy 600 corrosion coupon tests were performed: (1) to quantify the temperature dependency of general corrosion and (2) to characterize the composition and structure of bulk surface corrosion films for comparison with ongoing primary water SCC (PWSCC) crack tip corrosion film analyses. Results suggest that the thermal activation energy of Alloy 600 corrosion is consistent with the thermal activation energy of nickel alloy PWSCC. Analytical investigations of the structure and composition of Alloy 600 bulk surface corrosion oxides revealed a duplex (inner and outer) oxide layer structure. The outer layer is discontinuous and comprised of relatively large (1 to 3 {micro}m) nickel ferrite crystals and smaller ({approx}0.1 {micro}m) chromium containing nickel ferrite crystals. The inner layer consists of a relatively continuous chromite spinel (major phase) and chromia (Cr{sub 2}O{sub 3} minor phase) which formed through non-selective oxidation. Chromia and dealloyed Alloy 600 (highly Ni enriched metal) were only observed at 337 C (640 F) and only along the boundaries of deformation induced fine grains and subcells. Specimens having deformation free surfaces exhibited continuous uniform inner chromite spinel oxide layers. Specimens with machining induced surface deformation produced non-uniform inner layer oxides (chromite spinel, Cr{sub 2}O{sub 3} and unoxidized material). PWSCC crack tip oxides, in contrast, were fine grain (no duplex structure) and consisted of both chromium rich spinels and ''NiO'' structure oxides. Generally, nickel rich oxides were more abundant under more oxidized conditions (reduced coolant hydrogen) and spinel rich crack tip oxides were favored under more reducing conditions (increased coolant hydrogen). Bulk surface corrosion film thickness did not correlate with observed SCC growth rates. These results suggest that corrosion is not the rate controlling step of PWSCC but rather that PWSCC and corrosion have a common rate controlling sub

  19. Surface and bulk crystallization of amorphous solid water films: Confirmation of “top-down” crystallization

    SciTech Connect

    Yuan, Chunqing; Smith, R. Scott; Kay, Bruce D.

    2016-01-11

    Here, the crystallization kinetics of nanoscale amorphous solid water (ASW) films are investigated using temperature-programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS). TPD measurements are used to probe surface crystallization and RAIRS measurements are used to probe bulk crystallization. Isothermal TPD results show that surface crystallization is independent of the film thickness (from 100 to 1000 ML). Conversely, the RAIRS measurements show that the bulk crystallization time increases linearly with increasing film thickness. These results suggest that nucleation and crystallization begin at the ASW/vacuum interface and then the crystallization growth front propagates linearly into the bulk. This mechanism was confirmed by selective placement of an isotopic layer (5% D2O in H2O) at various positions in an ASW (H2O) film. In this case, the closer the isotopic layer was to the vacuum interface, the earlier the isotopic layer crystallized. These experiments provide direct evidence to confirm that ASW crystallization in vacuum proceeds by a “top-down” crystallization mechanism.

  20. Surface and bulk crystallization of amorphous solid water films: Confirmation of “top-down” crystallization

    DOE PAGES

    Yuan, Chunqing; Smith, R. Scott; Kay, Bruce D.

    2016-01-11

    Here, the crystallization kinetics of nanoscale amorphous solid water (ASW) films are investigated using temperature-programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS). TPD measurements are used to probe surface crystallization and RAIRS measurements are used to probe bulk crystallization. Isothermal TPD results show that surface crystallization is independent of the film thickness (from 100 to 1000 ML). Conversely, the RAIRS measurements show that the bulk crystallization time increases linearly with increasing film thickness. These results suggest that nucleation and crystallization begin at the ASW/vacuum interface and then the crystallization growth front propagates linearly into the bulk. This mechanism wasmore » confirmed by selective placement of an isotopic layer (5% D2O in H2O) at various positions in an ASW (H2O) film. In this case, the closer the isotopic layer was to the vacuum interface, the earlier the isotopic layer crystallized. These experiments provide direct evidence to confirm that ASW crystallization in vacuum proceeds by a “top-down” crystallization mechanism.« less

  1. Surface and bulk crystallization of amorphous solid water films: Confirmation of “top-down” crystallization

    SciTech Connect

    Yuan, Chunqing; Smith, R. Scott; Kay, Bruce D.

    2016-10-01

    The crystallization kinetics of nanoscale amorphous solid water (ASW) films are investigated using temperature-programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS). TPD measurements are used to probe surface crystallization and RAIRS measurements are used to probe bulk crystallization. Isothermal TPD results show that surface crystallization is independent of the film thickness (from 100 to 1000 ML). Conversely, the RAIRS measurements show that the bulk crystallization time increases linearly with increasing film thickness. These results suggest that nucleation and crystallization begin at the ASW/vacuum interface and then the crystallization growth front propagates linearly into the bulk. This mechanism was confirmed by selective placement of an isotopic layer (5% D2O in H2O) at various positions in an ASW (H2O) film. In this case, the closer the isotopic layer was to the vacuum interface, the earlier the isotopic layer crystallized. These experiments provide direct evidence to confirm that ASW crystallization in vacuum proceeds by a “top-down” crystallization mechanism.

  2. Generalized Electron Counting in Determination of Metal-Induced Reconstruction of Compound Semiconductor Surfaces

    SciTech Connect

    Zhang, Lixin; Wang, E. G.; Xue, Qi-Kun; Zhang, S. B.; Zhang, Zhenyu

    2006-01-01

    Based on theoretical analysis, first-principles calculations, and experimental observations, we establish a generic guiding principle, embodied in generalized electron counting (GEC), that governs the surface reconstruction of compound semiconductors induced by different metal adsorbates. Within the GEC model, the adsorbates serve as an electron bath, donating or accepting the right number of electrons as the host surface chooses a specific reconstruction that obeys the classic electron-counting model. The predictive power of the GEC model is illustrated for a wide range of metal adsorbates.

  3. Simulation Study on Semiconductor Coupled Surface Acoustic Wave Convolver through a Multi-Strip Electrodes

    NASA Astrophysics Data System (ADS)

    Hohkawa, Kohji; Suda, Takaya; Aoki, Yusuke; Kaneshiro, Chinami; Koh, Keishin

    2001-05-01

    This paper presents results of simulation study on a semiconductor coupled surface acoustic wave (SAW) convolver, in which the propagating SAW on a highly coupling coefficient piezoelectric substrate, couples with a bonded semiconductor diodes through multi-strip electrodes. We focus our study on a relatively wide band device which is the main feature of a highly efficiency device. By using a simple analysis and circuit simulator, based on the simulation program with integrated circuit emphasis (SPICE), we clarified the effect of device parameters, such as the shape of multi-strip tapping electrodes, characteristics of diode, impedance matching condition, kinds of transmission code and electro-mechanical coupling coefficient of SAW, on the device performances. We discussed the phenomenon, which cause the degradation, focusing on the frequency domain. We also clarified the essential problems of second order effect on the wide bandwidth device, which should be solved.

  4. Nonreciprocal propagation of surface plasmon mode guided through graphene layer on magnetized semiconductor

    NASA Astrophysics Data System (ADS)

    Bhagyaraj, C.; Mathew, Vincent

    2017-01-01

    This paper discusses the nonreciprocal effect induced by magnetized semiconductor substrate on surface plasmon mode guided through monolayer graphene. Dispersion relation for the fundamental antisymmetric mode is derived analytically. Nonreciprocal propagation characteristics of fundamental mode is studied as a function of wavelength, graphene layer chemical potential and biasing magnetic field. Fundamental mode exhibits appreciable nonreciprocal dispersion for transversal magnetization of semiconductor substrate in midinfrared and terahertz frequencies. Cutoff wavelength for backward propagating mode is observed above 2.5 T of external biasing field. Cutoff wavelength is found to be decreasing with increase in the biasing magnetic field and cladding index, also identified to be independent of graphene layer chemical potential. Proposed waveguide structure suggests the possibility of realizing one way propagating plasmonic waveguides with widely tunable guiding characteristics and related functional devices such as isolators, modulators, phase shifters and switches for integrated photonic circuits.

  5. Skyrmions in quasi-2D chiral magnets with broken bulk and surface inversion symmetry (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    Randeria, Mohit; Banerjee, Sumilan; Rowland, James

    2015-09-01

    Most theoretical studies of chiral magnetism, and the resulting spin textures, have focused on 3D systems with broken bulk inversion symmetry, where skyrmions are stabilized by easy-axis anisotropy. In this talk I will describe our results on 2D and quasi-2D systems with broken surface inversion, where we find [1] that skyrmion crystals are much more stable than in 3D, especially for the case of easy-plane anisotropy. These results are of particular interest for thin films, surfaces, and oxide interfaces [2], where broken surface-inversion symmetry and Rashba spin-orbit coupling naturally lead to both the chiral Dzyaloshinskii-Moriya (DM) interaction and to easy-plane compass anisotropy. I will then turn to systems that break both bulk and surface inversion, resulting in two distinct DM terms arising from Dresselhaus and Rashba spin-orbit coupling. I will describe [3] the evolution of the skyrmion structure and of the phase diagram as a function of the ratio of Dresselhaus and Rashba terms, which can be tuned by varying film thickness and strain. [1] S. Banerjee, J. Rowland, O. Erten, and M. Randeria, PRX 4, 031045 (2014). [2] S. Banerjee, O. Erten, and M. Randeria, Nature Phys. 9, 626 (2013). [3] J. Rowland, S. Banerjee and M. Randeria, (unpublished).

  6. Comparing near-surface and bulk densities of asteroids using radar scattering properties

    NASA Astrophysics Data System (ADS)

    Zambrano Marin, Luisa Fernanda; Nolan, Michael C.; Taylor, Patrick A.; Virkki, Anne

    2016-10-01

    Dual-polarization radar measurements of asteroids provide a joint constraint on the near-surface density and porosity, which can give insights on asteroid composition and evolution. Magri et al. (2001) used (433) Eros radar and spacecraft data as calibration for estimating the near-surface densities and porosities of 45 other radar-detected asteroids (36 main-belt and 9 near-Earth). At that time, only (433) Eros had both radar observations and a measured bulk density. Now that there have been spacecraft observations of several other asteroids and radar measurements of the densities of several binary near-Earth asteroids with various compositions, we can expand the calibration to include those objects. We begin by applying the method of Magri et al. to Ceres, Vesta, Itokawa, 1994 CC, 2001 SN263, 1998 QE2, and 2000 DP107 to explore the differences between the bulk density and the near-surface density measured with radar. We expect significant differences between Ceres and Vesta and the small near-Earth asteroids as the porosities of these objects are expected to be quite different. However, we expect that small binary objects likely have similar internal structures, so that any differences should depend on composition and perhaps surface weathering.Reference: Magri et al., "Radar constraints on asteroid Properties using 433 Eros as ground truth". Meteoritics & Planetary Science 36, 1697-1709, 2001.

  7. ANALYSES AND COMPARISON OF BULK AND COIL SURFACE SAMPLES FROM THE DWPF SLURRY MIX EVAPORATOR

    SciTech Connect

    Hay, M.; Nash, C.; Stone, M.

    2012-02-17

    Sludge samples from the DWPF Slurry Mix Evaporator (SME) heating coil frame and coil surface were characterized to identify differences that might help identify heat transfer fouling materials. The SME steam coils have seen increased fouling leading to lower boil-up rates. Samples of the sludge were taken from the coil frame somewhat distant from the coil (bulk tank material) and from the coil surface (coil surface sample). The results of the analysis indicate the composition of the two SME samples are very similar with the exception that the coil surface sample shows {approx}5-10X higher mercury concentration than the bulk tank sample. Elemental analyses and x-ray diffraction results did not indicate notable differences between the two samples. The ICP-MS and Cs-137 data indicate no significant differences in the radionuclide composition of the two SME samples. Semi-volatile organic analysis revealed numerous organic molecules, these likely result from antifoaming additives. The compositions of the two SME samples also match well with the analyzed composition of the SME batch with the exception of significantly higher silicon, lithium, and boron content in the batch sample indicating the coil samples are deficient in frit relative to the SME batch composition.

  8. Differentiation of surface and bulk conductivities in topological insulator via four-probe spectroscopy

    SciTech Connect

    Zhang, Xiaoguang; McGuire, Michael A.; Chen, Yong P.; Li, An -Ping; Durand, Corentin; Hus, Saban M.; Ma, Chuanxu; Hu, Yang; Cao, Helin; Miotkowski, Ireneusz

    2016-03-08

    Topological insulators, with characteristic topological surface states, have emerged as a new state of matter with rich potentials for both fundamental physics and device applications. However, the experimental detection of the surface transport has been hampered by the unavoidable extrinsic conductivity associated with the bulk crystals. Here we show that a four-probe transport spectroscopy in a multi-probe scanning tunneling microscopy system can be used to differentiate conductivities from the surface states and the coexisting bulk states in topological insulators. We derive a scaling relation of measured resistance with respect to varying inter-probe spacing for two interconnected conduction channels, which allows quantitative determination of conductivities from both channels. Using this method, we demonstrate the separation of 2D and 3D conduction in topological insulators by comparing the conductance scaling of Bi2Se3, Bi2Te2Se, and Sb-doped Bi2Se3 with that of a pure 2D conductance of graphene on SiC substrate. We also report the 2D conductance enhancement due to the surface doping effect in topological insulators. This technique can be applied to reveal 2D to 3D crossover of conductance in other complex systems.

  9. Differentiation of surface and bulk conductivities in topological insulator via four-probe spectroscopy

    DOE PAGES

    Zhang, Xiaoguang; McGuire, Michael A.; Chen, Yong P.; ...

    2016-03-08

    Topological insulators, with characteristic topological surface states, have emerged as a new state of matter with rich potentials for both fundamental physics and device applications. However, the experimental detection of the surface transport has been hampered by the unavoidable extrinsic conductivity associated with the bulk crystals. Here we show that a four-probe transport spectroscopy in a multi-probe scanning tunneling microscopy system can be used to differentiate conductivities from the surface states and the coexisting bulk states in topological insulators. We derive a scaling relation of measured resistance with respect to varying inter-probe spacing for two interconnected conduction channels, which allowsmore » quantitative determination of conductivities from both channels. Using this method, we demonstrate the separation of 2D and 3D conduction in topological insulators by comparing the conductance scaling of Bi2Se3, Bi2Te2Se, and Sb-doped Bi2Se3 with that of a pure 2D conductance of graphene on SiC substrate. We also report the 2D conductance enhancement due to the surface doping effect in topological insulators. This technique can be applied to reveal 2D to 3D crossover of conductance in other complex systems.« less

  10. Photocatalysis with chromium-doped TiO2: bulk and surface doping.

    PubMed

    Ould-Chikh, Samy; Proux, Olivier; Afanasiev, Pavel; Khrouz, Lhoussain; Hedhili, Mohamed N; Anjum, Dalaver H; Harb, Moussab; Geantet, Christophe; Basset, Jean-Marie; Puzenat, Eric

    2014-05-01

    The photocatalytic properties of TiO2 modified by chromium are usually found to depend strongly on the preparation method. To clarify this problem, two series of chromium-doped titania with a chromium content of up to 1.56 wt % have been prepared under hydrothermal conditions: the first series (Cr:TiO2) is intended to dope the bulk of TiO2, whereas the second series (Cr/TiO2) is intended to load the surface of TiO2 with Cr. The catalytic properties have been compared in the photocatalytic oxidation of formic acid. Characterization data provides evidence that in the Cr/TiO2 catalysts chromium is located on the surface of TiO2 as amorphous CrOOH clusters. In contrast, in the Cr:TiO2 series, chromium is mostly dissolved in the titania lattice, although a minor part is still present on the surface. Photocatalytic tests show that both series of chromium-doped titania demonstrate visible-light-driven photo-oxidation activity. Surface-doped Cr/TiO2 solids appear to be more efficient photocatalysts than the bulk-doped Cr:TiO2 counterparts.

  11. Semiconductor nanocrystals covalently bound to solid inorganic surfaces using self-assembled monolayers

    DOEpatents

    Alivisatos, A.P.; Colvin, V.L.

    1998-05-12

    Methods are described for attaching semiconductor nanocrystals to solid inorganic surfaces, using self-assembled bifunctional organic monolayers as bridge compounds. Two different techniques are presented. One relies on the formation of self-assembled monolayers on these surfaces. When exposed to solutions of nanocrystals, these bridge compounds bind the crystals and anchor them to the surface. The second technique attaches nanocrystals already coated with bridge compounds to the surfaces. Analyses indicate the presence of quantum confined clusters on the surfaces at the nanolayer level. These materials allow electron spectroscopies to be completed on condensed phase clusters, and represent a first step towards synthesis of an organized assembly of clusters. These new products are also disclosed. 10 figs.

  12. Schottky-barrier-free contacts with two-dimensional semiconductors by surface-engineered MXenes

    DOE PAGES

    Liu, Yuanyue; Xiao, Hai; Goddard, III, William A.

    2016-11-22

    Two-dimensional (2D) metal carbides and nitrides, called MXenes, have attracted great interest for applications such as energy storage. Here we demonstrate their potential as Schottky-barrier-free metal contacts to 2D semiconductors, providing a solution to the contact-resistance problem in 2D electronics. Based on first principles calculations, we find that the surface chemistry strongly affects the Fermi level of MXenes: O termination always increases the work function with respect to that of bare surface, OH always decreases it, while F exhibits either trend depending on the specific material. This phenomenon originates from the effect of surface dipoles, which together with the weakmore » Fermi level pinning, enable Schottky-barrier-free hole (or electron) injection into 2D semiconductors through van der Waals junctions with some of the O-terminated (or all the OH-terminated) MXenes. Furthermore, we suggest synthetic routes to control the surface terminations based on the calculated formation energies. Finally, this study enhances the understanding of the correlation between surface chemistry and electronic/transport properties of 2D materials, and also gives practical predictions for improving 2D electronics.« less

  13. The surface as molecular reagent: organic chemistry at the semiconductor interface

    NASA Astrophysics Data System (ADS)

    Filler, Michael A.; Bent, Stacey F.

    2003-09-01

    Methods for the incorporation of organic functionality onto semiconductor surfaces have seen immense progress in recent years. Of the multiple methods developed, the direct, covalent attachment of organic moieties is valuable because it allows for excellent control of the interfacial properties. This review article will focus on a number of synthetic strategies that have been developed to exploit the unique reactivity of group-IV surfaces under vacuum. A picture of the semiconductor surface and its reactions will be developed within the standard framework of organic chemistry with emphasis on the importance of combined experimental and theoretical approaches. Three broad areas of organic chemistry will be highlighted, including nucleophilic/electrophilic, pericyclic, and aromatic reactions. The concept of nucleophilicity and electrophilicity will be discussed within the context of dative bonding and proton transfer of amines and alcohols. Pericyclic reactions cover the [4 + 2] or Diels-Alder cycloaddition, [2 + 2] cycloaddition, dipolar, and ene reactions. Examples include the reactions of alkenes, dienes, ketones, nitriles, and related multifunctional molecules at the interface. Aromaticity and the use of directing groups to influence the distribution of surface products will be illustrated with benzene, xylene, and heteroaromatic compounds. Finally, multifunctional molecules are used to describe the competition and selectively observed among different surface reactions.

  14. Schottky-barrier-free contacts with two-dimensional semiconductors by surface-engineered MXenes

    SciTech Connect

    Liu, Yuanyue; Xiao, Hai; Goddard, III, William A.

    2016-11-22

    Two-dimensional (2D) metal carbides and nitrides, called MXenes, have attracted great interest for applications such as energy storage. Here we demonstrate their potential as Schottky-barrier-free metal contacts to 2D semiconductors, providing a solution to the contact-resistance problem in 2D electronics. Based on first principles calculations, we find that the surface chemistry strongly affects the Fermi level of MXenes: O termination always increases the work function with respect to that of bare surface, OH always decreases it, while F exhibits either trend depending on the specific material. This phenomenon originates from the effect of surface dipoles, which together with the weak Fermi level pinning, enable Schottky-barrier-free hole (or electron) injection into 2D semiconductors through van der Waals junctions with some of the O-terminated (or all the OH-terminated) MXenes. Furthermore, we suggest synthetic routes to control the surface terminations based on the calculated formation energies. Finally, this study enhances the understanding of the correlation between surface chemistry and electronic/transport properties of 2D materials, and also gives practical predictions for improving 2D electronics.

  15. Modelling the chemistry of Mn-doped MgO for bulk and (100) surfaces.

    PubMed

    Logsdail, Andrew J; Downing, Christopher A; Keal, Thomas W; Sherwood, Paul; Sokol, Alexey A; Catlow, C Richard A

    2016-10-19

    We have investigated the energetic properties of Mn-doped MgO bulk and (100) surfaces using a QM/MM embedding computational method, calculating the formation energy for doped systems, as well as for surface defects, and the subsequent effect on chemical reactivity. Low-concentration Mn doping is endothermic for isovalent species in the bulk but exothermic for higher oxidation states under p-type conditions, and compensated by electrons going to the Fermi level rather than cation vacancies. The highest occupied dopant Mn 3d states are positioned in the MgO band gap, about 4.2 eV below the vacuum level. Surface Mn-doping is more favourable than subsurface doping, and marginally exothermic on a (100) surface at high O2 pressures. For both types of isovalent Mn-doped (100) surfaces, the formation energy for catalytically important oxygen defects is less than for pristine MgO, with F(0) and F(2+)-centres favoured in n- and p-type conditions, respectively. In addition, F(+)-centres are stabilised by favourable exchange coupling between the Mn 3d states and the vacancy-localised electrons, as verified through calculation of the vertical ionisation potential. The adsorption of CO2 on to the pristine and defective (100) surface is used as a probe of chemical reactivity, with isovalent subsurface Mn dopants mildly affecting reactivity, whereas isovalent surface-positioned Mn strongly alters the chemical interactions between the substrate and adsorbate. The differing chemical reactivity, when compared to pristine MgO, justifies further detailed investigations for more varied oxidation states and dopant species.

  16. Excitation and propagation of shear-horizontal-type surface and bulk acoustic waves.

    PubMed

    Hashimoto, K Y; Yamaguchi, M

    2001-09-01

    This paper reviews the basic properties of shear-horizontal (SH)-type surface acoustic waves (SAWs) and bulk acoustic waves (BAWs). As one of the simplest cases, the structure supporting Bleustein-Gulyaev-Shimizu waves is considered, and their excitation and propagation are discussed from various view points. First, the formalism based on the complex integral theory is presented, where the surface is assumed to be covered with an infinitesimally thin metallic film, and it is shown how the excitation and propagation of SH-type waves are affected by the surface perturbation. Then, the analysis is extended to a periodic grating structure, and the behavior of SH-type SAWs under the grating structure is discussed. Finally, the origin of the leaky nature is explained.

  17. Influences of bulk and surface recombinations on the power conversion efficiency of perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Xie, Ziang; Sun, Shuren; Yan, Yu; Wang, Wei; Qin, Laixiang; Qin, G. G.

    2016-07-01

    For a novel kind of solar cell (SC) material, it is critical to estimate how far the power conversion efficiencies (PCEs) of the SCs made of it can go. In 2010 Han and Chen proposed the equation for the ultimate efficiency of SCs without considering the carrier recombination η un. η un is capable of estimating the theoretical upper limits of the SC efficiencies and has attracted much attention. However, carrier recombination, which is one of the key factors influencing the PCEs of the SCs, is ignored in the equation for η un. In this paper, we develop a novel equation to calculate the ultimate efficiency for the SCs, η ur, which considers both the bulk and the surface carrier recombinations. The novel equation for η ur can estimate how much the bulk and the surface carrier recombinations influence the PCEs of the SCs. Moreover, with η ur we can estimate how much PCE improvement space can be gained only by reducing the influence of the carrier recombination to the least. The perovskite organometal trihalide SCs have attracted tremendous attention lately. For the planar CH3NH3PbI3 SCs, in the material depth range from 31.25-2000 nm, we apply the equation of η ur to investigate how the bulk and the surface carrier recombinations affect PCE. From a typically reported PCE of 15% for the planar CH3NH3PbI3 SC, using the equation of η ur, it is concluded that by reducing the influence of carrier recombination to the least the improvement of PCE is in the range of 17-30%.

  18. Electronic properties of surfaces, subsurface layers and interfaces for semiconductor and semimetal solid solutions

    NASA Astrophysics Data System (ADS)

    Romanov, O. V.; Belygh, A. M.; Krasnov, E. L.; Kalenik, V. I.

    1992-05-01

    The electronic and physical-chemical properties of restorded (dDX≤0.5-1.0 nm) surfaces at the depth of the space-charge region and of semiconductor(semimetal)-native anodic oxide (dDX=1.0-100 nm) interfaces have been investigated by the combined field effect in electrolytes (CFEE) method at T = 273-305 K and in metal-oxide-semiconductor (MOS) systems at T = 77-305 K for monocrystalline solid solutions CdxHg1-xTe (0≤x≤0.4) and MnxHg1-xTe (0≤x≤0.24). The interpretation of experimental capacitance-potential and current-potential characteristics has been effectuated allowing for the degeneracy of the electron-hole gas and conduction band non-parabolicity (considered in the Kane approximation). The electronic properties of the surface and subsurface regions have been determined: the forbidden zone (Eg), the thermodynamic equilibrium (ni) and non-equilibrium (nix) carrier concentrations for intrinsic material or the doping level (NA,D) for extrinsic material, the density-of- states effective masses (mcx, mhx), the equilibrium semiconductor(semimetal) surface potential (Vs0) and total electric charge captured at the interface defects (Qtot0), the fast surface states (FSS) density (NSS). The FSS density and the total electric charge at the interface (Qtotox) increase drastically (0.5-2 orders) as a function of the anodic oxide thickness at dOX < 8-12 nm.

  19. Surface Majorana fermions and bulk collective modes in superfluid 3He-B

    NASA Astrophysics Data System (ADS)

    Park, YeJe; Chung, Suk Bum; Maciejko, Joseph

    2015-02-01

    The theoretical study of topological superfluids and superconductors has so far been carried out largely as a translation of the theory of noninteracting topological insulators into the superfluid language, whereby one replaces electrons by Bogoliubov quasiparticles and single-particle band Hamiltonians by Bogoliubov-de Gennes Hamiltonians. Band insulators and superfluids are, however, fundamentally different: While the former exist in the absence of interparticle interactions, the latter are broken symmetry states that owe their very existence to such interactions. In particular, unlike the static energy gap of a band insulator, the gap in a superfluid is due to a dynamical order parameter that is subject to both thermal and quantum fluctuations. In this work, we explore the consequences of bulk quantum fluctuations of the order parameter in the B phase of superfluid 3He on the topologically protected Majorana surface states. Neglecting the high-energy amplitude modes, we find that one of the three spin-orbit Goldstone modes in 3He-B couples to the surface Majorana fermions. This coupling in turn induces an effective short-range two-body interaction between the Majorana fermions, with coupling constant inversely proportional to the strength of the nuclear dipole-dipole interaction in bulk 3He. A mean-field theory suggests that the surface Majorana fermions in 3He-B may be in the vicinity of a metastable gapped time-reversal-symmetry-breaking phase.

  20. Computer simulation of bulk mechanical properties and surface hydration of biomaterials.

    PubMed

    Raffaini, Giuseppina; Elli, Stefano; Ganazzoli, Fabio

    2006-06-01

    Some intrinsic properties of biomaterials are calculated with atomistic computer simulations through energy minimizations and molecular dynamics methods. The mechanical properties of bulk polymers such as poly(vinyl alcohol) and poly(ethylene terephthalate) are obtained in terms of the Young's modulus, the bulk and shear moduli, and the Poisson ratio below the glass transition temperature. The calculated values apply to an ideal, defect-free sample, and therefore, they correspond to the theoretical upper limit for the mechanical behavior of these materials. The surface hydration of the same polymers and of graphite is analyzed in terms of the statistical distribution of the water molecules near the surfaces of these materials that range from hydrophilic to strongly hydrophobic. Consistent with recent spectroscopic evidence, it is found that water forms relatively ordered hydration shells driven by hydrogen bonds above the hydrophilic surface, but is highly disordered over the hydrophobic one. Therefore, it is suggested that computer simulations provide a new useful tool to investigate various aspects of biomaterials.

  1. Surface properties and photocatalytic activity of KTaO3, CdS, MoS2 semiconductors and their binary and ternary semiconductor composites.

    PubMed

    Bajorowicz, Beata; Cybula, Anna; Winiarski, Michał J; Klimczuk, Tomasz; Zaleska, Adriana

    2014-09-24

    Single semiconductors such as KTaO3, CdS MoS2 or their precursor solutions were combined to form novel binary and ternary semiconductor nanocomposites by the calcination or by the hydro/solvothermal mixed solutions methods, respectively. The aim of this work was to study the influence of preparation method as well as type and amount of the composite components on the surface properties and photocatalytic activity of the new semiconducting photoactive materials. We presented different binary and ternary combinations of the above semiconductors for phenol and toluene photocatalytic degradation and characterized by X-ray powder diffraction (XRD), UV-Vis diffuse reflectance spectroscopy (DRS), scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET) specific surface area and porosity. The results showed that loading MoS2 onto CdS as well as loading CdS onto KTaO3 significantly enhanced absorption properties as compared with single semiconductors. The highest photocatalytic activity in phenol degradation reaction under both UV-Vis and visible light irradiation and very good stability in toluene removal was observed for ternary hybrid obtained by calcination of KTaO3, CdS, MoS2 powders at the 10:5:1 molar ratio. Enhanced photoactivity could be related to the two-photon excitation in KTaO3-CdS-MoS2 composite under UV-Vis and/or to additional presence of CdMoO4 working as co-catalyst.

  2. Super-roughening: A new phase transition on the surfaces of crystals with quenched bulk disorder

    NASA Astrophysics Data System (ADS)

    Toner, John; Divincenzo, D. P.

    1990-01-01

    We present and study a model for surface fluctuations and equilibrium crystal shapes in solids with quenched bulk translational disorder but infinitely long-ranged orientational order. Strictly speaking, such surfaces have no sharp surface phase transition. However, for reasonable values of the bulk correlation length ξB (ξB>~30 Å should be sufficient), an experimentally sharp ``super-roughening'' transition occurs at a temperature TSR. This transition separates a high-temperature ``rough'' phase of the surface from a low-temperature ``super-rough'' phase that, counterintuitively, is even rougher. Specifically, the root-mean-square equilibrium vertical fluctuation in the position of the interface

    ¯ 1/2 diverge like √lnL as the length L of the surface -->∞ for T>TSR (just as in ordered solids for T greater than the roughening temperature TR), while

    ¯ 1/2lnL for T measured in surface-sensitive scattering experiments (e.g., anti-Bragg x-ray scattering) to go from algebraic decay C(qzx)~||x||-η(qz) in the rough phase to short-ranged order C(qzx)~||x-h¯(qz)ln(||x||) in the super-rough phase. The functional dependence of η(qz) on qz differs from that for fluctuating surfaces of both bulk ordered solids (above TR) and liquids. We identify an experimentally measurable correlation length ξSR that diverges as T-->TSR- as exp[ATSR2/(TSR-T)2], where A is a constant of order ln-4||ξB/a|| and a is a lattice constant. The equilibrium crystal shapes do not have facets in either the rough or the super-rough phase. At low temperatures in the super-rough phase, however, nearly flat regions appear, with a radius of curvature scaling like (ξB)-1.

  3. Bulk and surface electromagnetic response of metallic metamaterials to convection electrons

    NASA Astrophysics Data System (ADS)

    So, Jin-Kyu; Jang, Kyu-Ha; Park, Gun-Sik; Garcia-Vidal, F. J.

    2011-08-01

    The electromagnetic response of three-dimensional metallic metamaterials with isotropic effective index of refraction to fast-moving electrons is studied by numerical simulations. The considered metamaterials can support Cerenkov radiation [P. A. Cherenkov, Dokl. Akad. Nauk SSSR 2, 451 (1934)], and their effective dielectric behavior is confirmed by the detailed angular dependence of the generated radiation cone on the kinetic energy of electrons. Moreover, in addition to the predicted bulk modes, surface electromagnetic excitation is observed in a specific type of metamaterials and its dispersion is sensitive to the thickness of the subwavelength rods.

  4. Ultrafast magneto-photocurrents in GaAs: Separation of surface and bulk contributions

    SciTech Connect

    Schmidt, Christian B. Priyadarshi, Shekhar; Bieler, Mark; Tarasenko, Sergey A.

    2015-04-06

    We induce ultrafast magneto-photocurrents in a GaAs crystal employing interband excitation with femtosecond laser pulses at room temperature and non-invasively separate surface and bulk contributions to the overall current response. The separation between the different symmetry contributions is achieved by measuring the simultaneously emitted terahertz radiation for different sample orientations. Excitation intensity and photon energy dependences of the magneto-photocurrents for linearly and circularly polarized excitations reveal an involvement of different microscopic origins, one of which is the inverse spin Hall effect. Our experiments are important for a better understanding of the complex momentum-space carrier dynamics in magnetic fields.

  5. Photochemical etching during ultraviolet photolytic deposition of metal films on semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Kowalczyk, Steven P.; Miller, D. L.

    1986-01-01

    UV photochemical deposition of Sn films on GaAs (001) surfaces from a variety of tin-containing compounds (tetramethyltin, tetrabutyltin, dibutyltin dibromide, stannic chloride, hexamethylditin, dibutyltin sulfide, and iodotrimethyltin) was studied. X-ray photoelectron spectroscopy showed that during the initial stages of deposition from the halogenated compounds, the GaAs surface was photochemically etched, most likely by a halogen radical species. The photochemical etching resulted in an arsenic deficient surface which was particularly dramatic for the case of SnCl4. These results have important implications for the choice of sources for photochemical deposition when the metal-semiconductor interface is important and for photochemical etching if stoichiometric surfaces are required.

  6. Nature of Catalytic Active Sites Present on the Surface of Advanced Bulk Tantalum Mixed Oxide Photocatalysts

    SciTech Connect

    Phivilay, Somphonh; Puretzky, Alexander A; Domen, Kazunari Domen; Wachs, Israel

    2013-01-01

    The most active photocatalyst system for water splitting under UV irradiation (270 nm) is the promoted 0.2%NiO/NaTaO3:2%La photocatalyst with optimized photonic efficiency (P.E.) of 56%, but fundamental issues about the nature of the surface catalytic active sites and their involvement in the photocatalytic process still need to be clarified. This is the first study to apply cutting edge surface spectroscopic analyses to determine the surface nature of tantalum mixed oxide photocatalysts. Surface analysis with HR-XPS (1-3nm) and HS-LEIS (0.3nm) spectroscopy indicates that the NiO and La2O3 promoters are concentrated in the surface region of the bulk NaTaO3 phase. The La2O3 is concentrated on the NaTaO3 outermost surface layers while NiO is distributed throughout the NaTaO3 surface region (1-3nm). Raman and UV-vis spectroscopy revealed that the bulk molecular and electronic structures, respectively, of NaTaO3 were not modified by the addition of the La2O3 and NiO promoters, with La2O3 resulting in a slightly more ordered structure. Photoluminescence (PL) spectroscopy reveals that the addition of La2O3 and NiO produces a greater number of electron traps resulting in the suppression of the recombination of excited electrons/holes. In contrast to earlier reports, the La2O3 is only a textural promoter (increasing the BET surface area ~7x by stabilizing smaller NaTaO3 particles), but causes a ~3x decrease in the specific photocatalytic TORs ( mol H2/m2/h) rate because surface La2O3 blocks exposed catalytic active NaTaO3 sites. The NiO promoter was found to be a potent electronic promoter that enhances the NaTaO3 surface normalized TORs by a factor of ~10-50 and TOF by a factor of ~10. The level of NiO promotion is the same in the absence and presence of La2O3 demonstrating that there is no promotional synergistic interaction between the NiO and La2O3 promoters. This study demonstrates the important contributions of the photocatalyst surface properties to the fundamental

  7. Platinum nanoparticles on gallium nitride surfaces: effect of semiconductor doping on nanoparticle reactivity.

    PubMed

    Schäfer, Susanne; Wyrzgol, Sonja A; Caterino, Roberta; Jentys, Andreas; Schoell, Sebastian J; Hävecker, Michael; Knop-Gericke, Axel; Lercher, Johannes A; Sharp, Ian D; Stutzmann, Martin

    2012-08-01

    Platinum nanoparticles supported on n- and p-type gallium nitride (GaN) are investigated as novel hybrid systems for the electronic control of catalytic activity via electronic interactions with the semiconductor support. In situ oxidation and reduction were studied with high pressure photoemission spectroscopy. The experiments revealed that the underlying wide-band-gap semiconductor has a large influence on the chemical composition and oxygen affinity of supported nanoparticles under X-ray irradiation. For as-deposited Pt cuboctahedra supported on n-type GaN, a higher fraction of oxidized surface atoms was observed compared to cuboctahedral particles supported on p-type GaN. Under an oxygen atmosphere, immediate oxidation was recorded for nanoparticles on n-type GaN, whereas little oxidation was observed for nanoparticles on p-type GaN. Together, these results indicate that changes in the Pt chemical state under X-ray irradiation depend on the type of GaN doping. The strong interaction between the nanoparticles and the support is consistent with charge transfer of X-ray photogenerated free carriers at the semiconductor-nanoparticle interface and suggests that GaN is a promising wide-band-gap support material for photocatalysis and electronic control of catalysis.

  8. Surface reactions during the atomic layer deposition of high-kappa dielectrics on III-V semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Ye, Liwang

    The quality of the dielectric/semiconductor interface is one of the most critical parameters for the fabrication of high-speed and low-power-consumption III-V semiconductor based metal-oxide-semiconductor field effect transistors (MOSFETs), as it determines the device performance. This dissertation contains investigations of the deposition and interface of binary oxide films on GaAs(100) and InAs(100) surfaces aiming at understanding the removal of the surface native oxides during certain atomic layer deposition (ALD) processes. To accomplish that, two complementary experimental approaches have been used. Initially, films were deposited in a conventional ALD reactor and characterized ex situ using spectroscopic ellipsometry (SE), X-ray photoelectron spectroscopy (XPS), high-resolution transmission electron microscopy (HRTEM), and atomic force microscopy (AFM). The systems examined were Ta2O 5 on GaAs(100) surfaces from pentakis(dimethylamino) tantalum (Ta(N(CH 3)2)5, PDMAT) and TiO2 on GaAs(100) and InAs(100) surfaces from tetrakis(dimethylamino) titanium (Ti(N(CH 3)2)4, TDMAT). For these systems, deposition at the optimal ALD temperature resulted in practically sharp interfaces. Indium oxides were found to diffuse through ~ 6 nm of TiO2 film and accumulate on the topmost film layer. For the ALD of Ta2O5 on GaAs(100) surfaces, native oxide removal was enhanced at deposition temperatures above the ALD window; for ALD of TiO2 on both GaAs(100) and InAs(100) surfaces, native oxide removal was enhanced as the deposition temperatures increased up to 250 A°C, while oxidation of the interface was observed for deposition above 300 A°C due to the formation of noncontinuous films. To elucidate the surface reactions occurring during the deposition, an in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy apparatus was constructed and used to investigate the surface reactions during the ALD of TiO2 and HfO2 on GaAs(100) surfaces. The

  9. Ba(Zn1−2xMnxCux)2As2: A Bulk Form Diluted Ferromagnetic Semiconductor with Mn and Cu Codoping at Zn Sites

    PubMed Central

    Man, Huiyuan; Guo, Shengli; Sui, Yu; Guo, Yang; Chen, Bin; Wang, Hangdong; Ding, Cui; Ning, F.L.

    2015-01-01

    We report the synthesis and characterization of a bulk form diluted magnetic semiconductor Ba(Zn1−2xMnxCux)2As2 with the crystal structure identical to that of “122” family iron based superconductors and the antiferromagnet BaMn2As2. No ferromagnetic order occurs with (Zn, Mn) or (Zn, Cu) substitution in the parent compound BaZn2As2. Only when Zn is substituted by both Mn and Cu simultaneously, can the system undergo a ferromagnetic transition below TC ~ 70 K, followed by a magnetic glassy transition at Tf  ~ 35 K. AC susceptibility measurements for Ba(Zn0.75Mn0.125Cu0.125)2As2 reveal that Tf strongly depends on the applied frequency with and a DC magnetic field dependence of , demonstrating that a spin glass transition takes place at Tf. As large as −53% negative magnetoresistance has been observed in Ba(Zn1−2xMnxCux)2As2, enabling its possible application in memory devices. PMID:26492957

  10. K and Mn co-doped BaCd{sub 2}As{sub 2}: A hexagonal structured bulk diluted magnetic semiconductor with large magnetoresistance

    SciTech Connect

    Yang, Xiaojun; Zhang, Pan; Jiang, Hao; Luo, Yongkang; Chen, Qian; Feng, Chunmu; Tao, Qian; Cao, Guanghan; Xu, Zhu-An; Li, Yuke; Cao, Chao; Dai, Jianhui

    2013-12-14

    A bulk diluted magnetic semiconductor was found in the K and Mn co-doped BaCd{sub 2}As{sub 2} system. Different from recently reported tetragonal ThCr{sub 2}Si{sub 2}-structured II-II-V based (Ba,K)(Zn,Mn){sub 2}As{sub 2}, the Ba{sub 1−y}K{sub y}Cd{sub 2−x}Mn{sub x}As{sub 2} system has a hexagonal CaAl{sub 2}Si{sub 2}-type structure with the Cd{sub 2}As{sub 2} layer forming a honeycomb-like network. The Mn concentration reaches up to x ∼ 0.4. Magnetization measurements show that the samples undergo ferromagnetic transitions with Curie temperature up to 16 K. With low coercive field of less than 10 Oe and large magnetoresistance of about −70%, the hexagonal structured Ba{sub 1−y}K{sub y}Cd{sub 2−x}Mn{sub x}As{sub 2} can be served as a promising candidate for spin manipulations.

  11. Graded morphology in bulk-heterojunction solar cells based on colloidal semiconductor nanostructures: Directed charge-separation and facile carrier transport

    NASA Astrophysics Data System (ADS)

    Dasgupta, Uttiya; Pal, Amlan J.

    2016-08-01

    We introduce density gradient of p- and n-type compound semiconductor nanostructures in bulk-heterojunction (BHJ) solar cells. The graded BHJs (GBHJs) were formed with the p-type copper-zinc-tin-sulfide (Cu2ZnSnS4) nanoparticles and n-type Bi2S3 nanorods, both of which were based on nontoxic and earth-abundant elements and were grown at a moderate reaction temperature (180 °C). The concentration gradient of the nanostructures in the GBHJs provided a preferred directionality of nano-depletion regions for directed charge separation and also a controlled vertical segregation for ever-increasing carrier-transport pathways during the charge-extraction process. A comparison of solar cell characteristics having a bilayer, a BHJ, and a GBHJ structure is being presented. The performance of the thickness-optimized devices for highest efficiency shows that the GBHJ offered an improved short-circuit current as compared to the bilayer and the BHJ structures and a higher fill-factor as compared to the BHJ device. The overall energy conversion efficiency (η) of GBHJ exceeded that of the other two heterojunctions. The advantages of GBHJ structures in yielding an improved η have been explained through an increased exciton dissociation process along with a lower carrier recombination as compared to the bilayer and the BHJ structures, respectively. Series and shunt resistances, which were derived from current-voltage characteristics and impedance spectroscopy, supported such analyses.

  12. Structural and electronic properties of bulk and low-index surfaces of zincblende PtC

    NASA Astrophysics Data System (ADS)

    Gokhan Sensoy, Mehmet; Toffoli, Daniele; Ustunel, Hande

    2017-03-01

    Transition metal carbides have been extensively used in diverse applications over the past decade. Their versatility is in part thanks to their unique bonding, which displays a mixture of ionic, metallic and covalent character. While the bulk structure of zincblende (ZB) PtC has been investigated several times, a detailed understanding of the electronic and structural properties of its low-index surfaces is lacking. In this work, we present an ab initio investigation of the properties of five crystallographic ZB PtC surfaces (Pt/C-terminated PtC(1 0 0), PtC(1 1 0) and Pt/C-terminated PtC(1 1 1)). Upon geometry optimization, both polar and nonpolar surfaces undergo a mild interlayer relaxation, without extensive reconstructions. Calculated vacancy formation energies indicate facile C removal on the (1 1 1) surface while Pt-vacancy formation is endothermic. Finally, atomic O adsorption energies on all surfaces reveal a high affinity of the C-terminated surfaces towards this species.

  13. Passive microwave sensing of soil moisture content: Soil bulk density and surface roughness

    NASA Technical Reports Server (NTRS)

    Wang, J. R.

    1982-01-01

    Microwave radiometric measurements over bare fields of different surface roughnesses were made at the frequencies of 1.4 GHz, 5 GHz, and 10.7 GHz to study the frequency dependence as well as the possible time variation of surface roughness. The presence of surface roughness was found to increase the brightness temperature of soils and reduce the slope of regression between brightness temperature and soil moisture content. The frequency dependence of the surface roughness effect was relatively weak when compared with that of the vegetation effect. Radiometric time series observation over a given field indicated that field surface roughness might gradually diminish with time, especially after a rainfall or irrigation. This time variation of surface roughness served to enhance the uncertainty in remote soil moisture estimate by microwave radiometry. Three years of radiometric measurements over a test site revealed a possible inconsistency in the soil bulk density determination, which turned out to be an important factor in the interpretation of radiometric data.

  14. The role of bandgap energy excess in surface emission of terahertz radiation from semiconductors

    NASA Astrophysics Data System (ADS)

    Alfaro-Gomez, M.; Castro-Camus, E.

    2017-01-01

    We use a Monte-Carlo model to simulate semi-classical photo-carrier dynamics of InAs, InGaAs, and GaAs that leads to terahertz emission. We compare the emission power of all three semiconductors as a function of excitation photon energy finding that the carrier excess excitation energy is more relevant to explain their performance difference than their mobilities. We conclude that ballistic transport after photoexcitation is the dominant mechanism for terahertz emission instead of diffusion driven or surface field driven charge separation, which were traditionally considered the most relevant mechanisms.

  15. Skyrmions in quasi-2D chiral magnets with broken bulk and surface inversion symmetry

    NASA Astrophysics Data System (ADS)

    Rowland, James; Banerjee, Sumilan; Randeria, Mohit

    2015-03-01

    Most theoretical studies of skyrmions have focused on chiral magnets with broken bulk inversion symmetry, stabilized by easy-axis anisotropy. Recently, we considered 2D systems with broken surface inversion and showed that skyrmion crystals are more stable than in 3D, pointing out the importance of easy-plane anisotropy. In the present work we investigate quasi-2D systems which break both bulk and surface inversion symmetry. The Landau-Ginzburg free energy functional thus contains two Dzyloshinskii-Moriya terms of strength DD and DR arising from Dresselhaus and Rashba spin-orbit coupling respectively. We trace the evolution of the phase diagram as DD /DR is varied, and find that skyrmions are increasingly destabilized with respect to the cone phase as DD increases relative to DR. We find an evolution from vortex-like skyrmions in the pure Dresselhaus limit to hedgehog-like skyrmions in the pure Rashba limit. We discuss the relevance of these results to existing experiments and the prospects of tuning the ratio of Dresselhaus and Rashba spin-orbit coupling via film thickness and strain. Supported by NSF DMR-1410364 (J.R. and M.R.) and DOE-BES DE-SC0005035 (S.B.)

  16. Discerning the Location and Nature of Coke Deposition from Surface to Bulk of Spent Zeolite Catalysts

    PubMed Central

    Devaraj, Arun; Vijayakumar, Murugesan; Bao, Jie; Guo, Mond F.; Derewinski, Miroslaw A.; Xu, Zhijie; Gray, Michel J.; Prodinger, Sebastian; Ramasamy, Karthikeyan K.

    2016-01-01

    The formation of carbonaceous deposits (coke) in zeolite pores during catalysis leads to temporary deactivation of catalyst, necessitating regeneration steps, affecting throughput, and resulting in partial permanent loss of catalytic efficiency. Yet, even to date, the coke molecule distribution is quite challenging to study with high spatial resolution from surface to bulk of the catalyst particles at a single particle level. To address this challenge we investigated the coke molecules in HZSM-5 catalyst after ethanol conversion treatment by a combination of C K-edge X-ray absorption spectroscopy (XAS), 13C Cross polarization-magic angle spinning nuclear magnetic resonance (CP-MAS NMR) spectroscopy, and atom probe tomography (APT). XAS and NMR highlighted the aromatic character of coke molecules. APT permitted the imaging of the spatial distribution of hydrocarbon molecules located within the pores of spent HZSM-5 catalyst from surface to bulk at a single particle level. 27Al NMR results and APT results indicated association of coke molecules with Al enriched regions within the spent HZSM-5 catalyst particles. The experimental results were additionally validated by a level-set–based APT field evaporation model. These results provide a new approach to investigate catalytic deactivation due to hydrocarbon coking or poisoning of zeolites at an unprecedented spatial resolution. PMID:27876869

  17. 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

  18. Discerning the Location and Nature of Coke Deposition from Surface to Bulk of Spent Zeolite Catalysts

    NASA Astrophysics Data System (ADS)

    Devaraj, Arun; Vijayakumar, Murugesan; Bao, Jie; Guo, Mond F.; Derewinski, Miroslaw A.; Xu, Zhijie; Gray, Michel J.; Prodinger, Sebastian; Ramasamy, Karthikeyan K.

    2016-11-01

    The formation of carbonaceous deposits (coke) in zeolite pores during catalysis leads to temporary deactivation of catalyst, necessitating regeneration steps, affecting throughput, and resulting in partial permanent loss of catalytic efficiency. Yet, even to date, the coke molecule distribution is quite challenging to study with high spatial resolution from surface to bulk of the catalyst particles at a single particle level. To address this challenge we investigated the coke molecules in HZSM-5 catalyst after ethanol conversion treatment by a combination of C K-edge X-ray absorption spectroscopy (XAS), 13C Cross polarization-magic angle spinning nuclear magnetic resonance (CP-MAS NMR) spectroscopy, and atom probe tomography (APT). XAS and NMR highlighted the aromatic character of coke molecules. APT permitted the imaging of the spatial distribution of hydrocarbon molecules located within the pores of spent HZSM-5 catalyst from surface to bulk at a single particle level. 27Al NMR results and APT results indicated association of coke molecules with Al enriched regions within the spent HZSM-5 catalyst particles. The experimental results were additionally validated by a level-set–based APT field evaporation model. These results provide a new approach to investigate catalytic deactivation due to hydrocarbon coking or poisoning of zeolites at an unprecedented spatial resolution.

  19. Analysis of surface, subsurface, and bulk hydrogen in ZnO using nuclear reaction analysis

    SciTech Connect

    Traeger, F.; Kauer, M.; Woell, Ch.; Rogalla, D.; Becker, H.-W.

    2011-08-15

    Hydrogen concentrations in ZnO single crystals exposing different surfaces have been determined to be in the range of (0.02-0.04) at.% with an error of {+-}0.01 at.% using nuclear reaction analysis. In the subsurface region, the hydrogen concentration has been determined to be higher by up to a factor of 10. In contrast to the hydrogen in the bulk, part of the subsurface hydrogen is less strongly bound, can be removed by heating to 550 deg. C, and reaccommodated by loading with atomic hydrogen. By exposing the ZnO(1010) surface to water above room temperature and to atomic hydrogen, respectively, hydroxylation with the same coverage of hydrogen is observed.

  20. General aspects of the vapor growth of semiconductor crystals - A study based on DFT simulations of the NH3/NH2 covered GaN(0001) surface in hydrogen ambient

    NASA Astrophysics Data System (ADS)

    Kempisty, Paweł; Strak, Paweł; Sakowski, Konrad; Krukowski, Stanisław

    2014-03-01

    Vapor growth of semiconductors is analyzed using recently obtained dependence of the adsorption energy on the electron charge transfer between the surface adsorbed species and the bulk [Krukowski et al. J. Appl. Phys. 114 (2013) 063507, Kempisty et al. ArXiv1307.5778 (2013)]. Ab initio calculations were performed to study the physical properties of GaN(0001) surface in ammonia-rich conditions, i.e. covered by mixture of NH3 molecules and NH2 radicals. The Fermi level is pinned at valence band maximum (VBM) and conduction band minimum (CBM) for full coverage by NH3 molecules and NH2 radicals, respectively. For the crossover content of ammonia of about 25% monolayer (ML), the Fermi level is unpinned. It was shown that hydrogen adsorption energy depends on the doping in the bulk for the unpinned Fermi level, i.e. for this coverage. Surface structure thermodynamic and mechanical stability criteria are defined and compared. Mechanical stability of the coverage of such surfaces was checked by determination of the desorption energy of hydrogen molecules. Thermodynamic stability analysis indicates that initially equilibrium hydrogen vapor partial pressure steeply increases with NH3 content to attain the crossover NH3/NH2 coverage, i.e. the unpinned Fermi level condition. For such condition the entire range of experimentally accessible pressures belongs showing that vapor growth of semiconductor crystals occurs predominantly for unpinned Fermi level at the surface, i.e. for flat bands. Accordingly, adsorption energy of most species depends on the doping in the bulk that is based on the possible molecular scenario explaining dependence of the growth and the doping of semiconductor crystals on the doping in the bulk.

  1. Characterizing Surfaces of the Wide Bandgap Semiconductor Ilmenite with Scanning Probe Microcopies

    NASA Technical Reports Server (NTRS)

    Wilkins, R.; Powell, Kirk St. A.

    1997-01-01

    Ilmenite (FeTiO3) is a wide bandgap semiconductor with an energy gap of about 2.5eV. Initial radiation studies indicate that ilmenite has properties suited for radiation tolerant applications, as well as a variety of other electronic applications. Two scanning probe microscopy methods have been used to characterize the surface of samples taken from Czochralski grown single crystals. The two methods, atomic force microscopy (AFM) and scanning tunneling microscopy (STM), are based on different physical principles and therefore provide different information about the samples. AFM provides a direct, three-dimensional image of the surface of the samples, while STM give a convolution of topographic and electronic properties of the surface. We will discuss the differences between the methods and present preliminary data of each method for ilmenite samples.

  2. Ultrafast optical studies of surface reaction processes at semiconductor interfaces. Progress report

    SciTech Connect

    Miller, R.J.D.

    1994-10-01

    The DOE funded research has focused on the development of novel non-linear optical methods for the in situ study of surface reaction dynamics. In particular, the work has concentrated on interfacial charge transfer processes as this is the simplest of all surface reactions, i.e., no bonds are broken and the reaction is derived from nuclear repolarization. Interfacial charge transfer forms the basis for a number of important solar energy conversion strategies. In these studies, semiconductor liquid junctions provide a convenient system in which the interfacial charge transfer can be optically initiated. The all-optical approach necessitates that the dynamics of the charge transfer event itself be put in the proper context of the operating photophysical processes at the surface. There are at least four dynamical processes that are coupled in determining the overall rate of electron flux across the interface. In the limit that interfacial charge transfer approaches strong coupling, the time scale for transport of even field accelerated carriers within the space charge region becomes comparable to the charge transfer dynamics. The transport component needs to be convolved to probes of the carrier population at the surface. The other two dynamical processes, carrier thermalization and surface state trapping, determine the states which ultimately serve as the donor levels to the solution acceptor distribution. In terms of the hot carrier model, these latter two processes compete with direct unthermalized charge transfer. There is a fifth dynamical process which also needs consideration: the solvent modes that are coupled to the reaction coordinate. Ultimately, the dynamics of solvent relaxation determine the upper limit to the charge transfer process. Different optical techniques have been developed to follow all the above dynamical processes in which a real time view of charge transfer dynamics at semiconductor surfaces is emerging. These results are discussed here.

  3. Modulating semiconductor surface electronic properties by inorganic peptide-binders sequence design.

    PubMed

    Matmor, Maayan; Ashkenasy, Nurit

    2012-12-19

    The use of proteins and peptides as part of biosensors and electronic devices has been the focus of intense research in recent years. However, despite the fact that the interface between the bioorganic molecules and the inorganic matter plays a significant role in determining the properties of such devices, information on the electronic properties of such interfaces is sparse. In this work, we demonstrate that the identity and position of single amino acid in short inorganic binding protein-segments can significantly modulate the electronic properties of semiconductor surfaces on which they are bound. Specifically, we show that the introduction of tyrosine or tryptophan, both possessing an aromatic side chain which higher occupied molecular orbitals are positioned in proximity to the edge of GaAs valence band, to the sequence of a peptide that binds to GaAs (100) results in changes of both the electron affinity and surface potential of the semiconductor. These effects were found to be more pronounced than the effects induced by the same amino acids once bound on the surface in a head-tail configuration. Furthermore, the relative magnitude of each effect was found to depend on the position of the modification in the sequence. This sequence dependent behavior is induced both indirectly by changes in the peptide surface coverage, and directly, probably, due to changes in the orientation and proximity of the tyrosine/tryptophan side group with respect to the surface due to the preferred conformation the peptide adopts on the surface. These studies reveal that despite the use of short protein oligomers and aiming at a non-natural-electronic task, the well-known relations between the proteins' structure and function is preserved. Combining the ability to tune the electronic properties at the interface with the ability to direct the growth of inorganic materials makes peptides promising building blocks for the construction of novel hybrid electronic devices and biosensors.

  4. Theoretical characterization of divacancies at the surface and in bulk MgO

    NASA Astrophysics Data System (ADS)

    Ojamäe, Lars; Pisani, Cesare

    1998-12-01

    Two types of divacancy at the (001) surface of MgO are theoretically studied and compared with the corresponding defect in the bulk: the pit, where a surface magnesium and the oxygen ion underneath are removed, and the tub, where both removed ions are at the surface. All calculations have been performed by means of the EMBED program which adopts an embedded-cluster approach in the frame of the Hartree-Fock (HF) approximation [C. Pisani F. Corà, R. Nada, and R. Orlando, Comput. Phys. Commun. 82, 139 (1994); C. Pisani and U. Birkenheuer, ibid. 96, 152 (1996)]; the semi-infinite host crystal for the study of the surface defects has been simulated with a four-layer slab. The energy released on formation of the divacancy from the two charged isolated vacancies is very high, almost 300 kcal/mol. The tub divacancy is the most stable, both as a neutral and as a singly charged defect. For the paramagnetic center (one electron trapped in the cavity), spin density data are provided and discussed with reference to results from electron paramagnetic resonance experiments and molecular cluster calculations [E. Giamello M. C. Paganini, D. Murphy, A. M. Ferrari, and G. Pacchioni, J. Phys. Chem. 101, 971 (1997)]. It is suggested that the tub divacancy is a common defect, if not the most common, at the highly dehydrated MgO surface.

  5. Degradation Potential of Bulk Versus Incrementally Applied and Indirect Composites: Color, Microhardness, and Surface Deterioration.

    PubMed

    El Gezawi, M; Kaisarly, D; Al-Saleh, H; ArRejaie, A; Al-Harbi, F; Kunzelmann, K H

    This study investigated the color stability and microhardness of five composites exposed to four beverages with different pH values. Composite discs were produced (n=10); Filtek Z250 (3M ESPE) and Filtek P90 (3M ESPE) were applied in two layers (2 mm, 20 seconds), and Tetric N-Ceram Bulk Fill (TetricBF, Ivoclar Vivadent) and SonicFill (Kerr) were applied in bulk (4 mm) and then light cured (40 seconds, Ortholux-LED, 1600 mW/cm(2)). Indirect composite Sinfony (3M ESPE) was applied in two layers (2 mm) and cured (Visio system, 3M ESPE). The specimens were polished and tested for color stability; ΔE was calculated using spectrophotometer readings. Vickers microhardness (50 g, dwell time=45 seconds) was assessed on the top and bottom surfaces at baseline, 40 days of storage, subsequent repolishing, and 60 days of immersion in distilled water (pH=7.0), Coca-Cola (pH=2.3), orange juice (pH=3.75), or anise (pH=8.5) using scanning electron microscopy (SEM). The materials had similar ΔE values (40 days, p>0.05), but TetricBF had a significantly greater ΔE than P90 or SF (40 days). The ΔE was less for P90 and TetricBF than for Z250, SonicFill, and Sinfony (60 days). Repolishing and further immersion significantly affected the ΔE (p<0.05) except for P90. All composites had significantly different top vs bottom baseline microhardnesses. This was insignificant for the Z250/water, P90/orange juice (40 days), and Sinfony groups (40 and 60 days). Immersion produced variable time-dependent deterioration of microhardness in all groups. Multivariate repeated measures analysis of variance with post hoc Bonferroni tests were used to compare the results. ΔE and microhardness changes were significantly inversely correlated at 40 days, but this relationship was insignificant at 60 days (Pearson test). SEM showed degradation (40 days) that worsened (60 days). Bulk-fill composites differ regarding color-stability and top-to-bottom microhardness changes compared with those of other

  6. Periodic density functional theory calculations of bulk and the (010) surface of goethite

    PubMed Central

    Kubicki, James D; Paul, Kristian W; Sparks, Donald L

    2008-01-01

    Background Goethite is a common and reactive mineral in the environment. The transport of contaminants and anaerobic respiration of microbes are significantly affected by adsorption and reduction reactions involving goethite. An understanding of the mineral-water interface of goethite is critical for determining the molecular-scale mechanisms of adsorption and reduction reactions. In this study, periodic density functional theory (DFT) calculations were performed on the mineral goethite and its (010) surface, using the Vienna Ab Initio Simulation Package (VASP). Results Calculations of the bulk mineral structure accurately reproduced the observed crystal structure and vibrational frequencies, suggesting that this computational methodology was suitable for modeling the goethite-water interface. Energy-minimized structures of bare, hydrated (one H2O layer) and solvated (three H2O layers) (010) surfaces were calculated for 1 × 1 and 3 × 3 unit cell slabs. A good correlation between the calculated and observed vibrational frequencies was found for the 1 × 1 solvated surface. However, differences between the 1 × 1 and 3 × 3 slab calculations indicated that larger models may be necessary to simulate the relaxation of water at the interface. Comparison of two hydrated surfaces with molecularly and dissociatively adsorbed H2O showed a significantly lower potential energy for the former. Conclusion Surface Fe-O and (Fe)O-H bond lengths are reported that may be useful in surface complexation models (SCM) of the goethite (010) surface. These bond lengths were found to change significantly as a function of solvation (i.e., addition of two extra H2O layers above the surface), indicating that this parameter should be carefully considered in future SCM studies of metal oxide-water interfaces. PMID:18477389

  7. Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3.

    PubMed

    Vildosola, Verónica; Güller, Francisco; Llois, Ana María

    2013-05-17

    In this Letter, we find by means of first-principles calculations a new physical mechanism to generate a two-dimensional electron gas, namely, the breaking of charge ordering at the surface of a charge-ordered semiconductor due to the incomplete oxygen environment of the surface ions. The emergence of the 2D gas is independent of the presence of oxygen vacancies or polar discontinuities; this is a self-doping effect. This mechanism might apply to many charge-ordered systems, in particular, we study the case of BaBiO(3)(001). Our calculations show that the outer layer of the Bi-terminated simulated surface turns more cubiclike and metallic while the inner layers remain in the insulating monoclinic state that the system present in the bulk form. On the other hand, the metallization does not occur for the Ba termination, a fact that makes this system appealing for nanostructuring. Finally, in view of the bulk properties of this material under doping, this particular finding sets another possible route for future exploration: the potential scenario of 2D superconductivity at the BaBiO(3) surface.

  8. Mechanism to Generate a Two-Dimensional Electron Gas at the Surface of the Charge-Ordered Semiconductor BaBiO3

    NASA Astrophysics Data System (ADS)

    Vildosola, Verónica; Güller, Francisco; Llois, Ana María

    2013-05-01

    In this Letter, we find by means of first-principles calculations a new physical mechanism to generate a two-dimensional electron gas, namely, the breaking of charge ordering at the surface of a charge-ordered semiconductor due to the incomplete oxygen environment of the surface ions. The emergence of the 2D gas is independent of the presence of oxygen vacancies or polar discontinuities; this is a self-doping effect. This mechanism might apply to many charge-ordered systems, in particular, we study the case of BaBiO3(001). Our calculations show that the outer layer of the Bi-terminated simulated surface turns more cubiclike and metallic while the inner layers remain in the insulating monoclinic state that the system present in the bulk form. On the other hand, the metallization does not occur for the Ba termination, a fact that makes this system appealing for nanostructuring. Finally, in view of the bulk properties of this material under doping, this particular finding sets another possible route for future exploration: the potential scenario of 2D superconductivity at the BaBiO3 surface.

  9. Properties of II-VI Semiconductors: Bulk Crystals, Epitaxial Films, Quantum Well Structures, and Dilute Magnetic Systems. Materials Research Society Symposium Proceedings. Volume 161

    DTIC Science & Technology

    1990-11-21

    BULK CdTe P.M. AMIRTHARAJ AND N.K. DHAR U.S. Army Center for Night Vision and Electro-Optics Fort Belvoir, VA-22060 ABSTRACT The native defects...those that contain exposed surfaces. ACKNOWLEDGEMENT The authors wish to acknowledge Mr. Philip R. Boyd of the U.S. Army Center for Night Vision and...del IPN. Apdo. Postal 14-740, 07000 Mexico, D. F. +Departamento de Fisica del Instituto de Ciencias, Universidad Aut6noma de Puebla , Apdo. Postal J-48

  10. Surface and bulk contributions to the second-harmonic generation in B i2S e3

    NASA Astrophysics Data System (ADS)

    Shi, Hui; Zhang, Yu; Yao, Mengyu; Ji, Fuhao; Qian, Dong; Qiao, Shan; Shen, Y. R.; Liu, Wei-Tao

    2016-11-01

    Second harmonic generation (SHG) from three-dimensional topological insulators originates from both surface and bulk, which does not allow probing of surface states unless the measurement can separate the two contributions. In this paper, we used combined measurements of transmitted and reflected SHG from epitaxially grown B i2S e3 thin films of different thickness on Ba F2 , and a bulk B i2S e3 crystal, to deduce surface and bulk nonlinear susceptibilities of B i2S e3 separately. We found that the surface contribution to SHG was comparable to that from the bulk of the crystal, but becomes dominant in ultrathin films. In the latter case, contributions from both air/B i2S e3 and B i2S e3 /Ba F2 interfaces were significant and exhibited a strong out-of-plane polar ordering. The bulk contribution came mainly from the space charge region (SCR), which was formed by Se vacancies aggregated at the air/B i2S e3 interface; its magnitude can provide an estimate on the field strength in the SCR. Clarification of surface and bulk contributions to SHG can help nonlinear optical techniques be used as a versatile in situ probe for topological insulators.

  11. Is the surface oxygen exchange rate linked to bulk ion diffusivity in mixed conducting Ruddlesden-Popper phases?

    PubMed

    Tomkiewicz, Alex C; Tamimi, Mazin A; Huq, Ashfia; McIntosh, Steven

    2015-01-01

    The possible link between oxygen surface exchange rate and bulk oxygen anion diffusivity in mixed ionic and electronic conducting oxides is a topic of great interest and debate. While a large body of experimental evidence and theoretical analyses support a link, observed differences between bulk and surface composition of these materials are hard to reconcile with this observation. This is further compounded by potential problems with simultaneous measurement of both parameters. Here we utilize separate techniques, in situ neutron diffraction and pulsed isotopic surface exchange, to examine bulk ion mobility and surface oxygen exchange rates of three Ruddlesden-Popper phases, general form A(n-1)A(2)'B(n)O(3n+1), A(n-1)A(2)'B(n)X(3n+1); LaSrCo(0.5)Fe(0.5)O(4-δ) (n = 1), La(0.3)Sr(2.7)CoFeO(7-δ) (n = 2) and LaSr3Co(1.5)Fe(1.5)O(10-δ) (n = 3). These measurements are complemented by surface composition determination via high sensitivity-low energy ion scattering. We observe a correlation between bulk ion mobility and surface exchange rate between materials. The surface exchange rates vary by more than one order of magnitude with high anion mobility in the bulk of an oxygen vacancy-rich n = 2 Ruddlesden-Popper material correlating with rapid oxygen exchange. This is in contrast with the similar surface exchange rates which we may expect due to similar surface compositions across all three samples. We conclude that experimental limitations lead to inherent convolution of surface and bulk rates, and that surface exchange steps are not likely to be rate limiting in oxygen incorporation.

  12. Is the surface oxygen exchange rate linked to bulk ion diffusivity in mixed conducting Ruddlesden–Popper phases?

    DOE PAGES

    Tomkiewicz, Alex C.; Tamimi, Mazin A.; Huq, Ashfia; ...

    2015-03-02

    There is a possible link between oxygen surface exchange rate and bulk oxygen anion diffusivity in mixed ionic and electronic conducting oxides; it is a topic of great interest and debate. While a large body of experimental evidence and theoretical analyses support a link, observed differences between bulk and surface composition of these materials are hard to reconcile with this observation. This is further compounded by potential problems with simultaneous measurement of both parameters. Here we utilize separate techniques, in situ neutron diffraction and pulsed isotopic surface exchange, to examine bulk ion mobility and surface oxygen exchange rates of threemore » Ruddlesden-Popper phases, general form An-1A2'BnO3n+1, An-1A2'BnX3n+1; LaSrCo0.5Fe0.5O4-δ (n = 1), La0.3Sr2.7CoFeO7-δ (n = 2) and LaSr3Co1.5Fe1.5O10-δ (n = 3). These measurements are complemented by surface composition determination via high sensitivity-low energy ion scattering. We observe a correlation between bulk ion mobility and surface exchange rate between materials. The surface exchange rates vary by more than one order of magnitude with high anion mobility in the bulk of an oxygen vacancy-rich n = 2 Ruddlesden-Popper material correlating with rapid oxygen exchange. Furthermore this is in contrast with the similar surface exchange rates which we may expect due to similar surface compositions across all three samples. This paper conclude that experimental limitations lead to inherent convolution of surface and bulk rates, and that surface exchange steps are not likely to be rate limiting in oxygen incorporation.« less

  13. Exchange interactions of CaMnO3 in the bulk and at the surface

    NASA Astrophysics Data System (ADS)

    Keshavarz, S.; Kvashnin, Y. O.; Rodrigues, D. C. M.; Pereiro, M.; Di Marco, I.; Autieri, C.; Nordström, L.; Solovyev, I. V.; Sanyal, B.; Eriksson, O.

    2017-03-01

    We present electronic and magnetic properties of CaMnO3 (CMO) as obtained from ab initio calculations. We identify the preferable magnetic order by means of density functional theory plus Hubbard U calculations and extract the effective exchange parameters (Ji j's) using the magnetic force theorem. We find that the effects of geometrical relaxation at the surface as well as the change of crystal field are very strong and are able to influence the lower-energy magnetic configuration. In particular, our analysis reveals that the exchange interaction between the Mn atoms belonging to the surface and the subsurface layers is very sensitive to the structural changes. An earlier study [A. Filippetti and W. E. Pickett, Phys. Rev. Lett. 83, 4184 (1999), 10.1103/PhysRevLett.83.4184] suggested that this coupling is ferromagnetic and gives rise to the spin-flip (SF) process on the surface of CMO. In our work, we confirm their finding for an unrelaxed geometry, but once the structural relaxations are taken into account, this exchange coupling changes its sign. Thus, we suggest that the surface of CMO should have the same G -type antiferromagnetic order as in the bulk. Finally, we show that the suggested SF can be induced in the system by introducing an excess of electrons.

  14. Magnetic modification at sub-surface of FeRh bulk by energetic ion beam irradiation

    SciTech Connect

    Koide, T.; Iwase, A.; Uno, H.; Sakane, H.; Sakamaki, M.; Amemiya, K.; Matsui, T.

    2015-05-07

    Ferromagnetic layered structure has been made at sub-surface of the antiferromagnetic FeRh bulk samples by high energy He ion beam irradiation. In accordance with the Transport of Ions in Matter simulation, such ion beam can effectively deposit the elastic collision energy in several μm regions in the depth from the surface. Measurement with a superconducting quantum interference device reveals the irradiated samples to be ferromagnetic. Assuming that only the part the energy deposited can be modified to be ferromagnetic, the corresponding irradiation induced magnetization is consistent with the data that we previously reported. On the other hand, the X-ray magnetic circular dichroism (XMCD) spectra for the irradiated samples are totally unchanged as those for the unirradiated samples. Since XMCD signal in total emission yield method is considered to be surface sensitive with a typical probing depth of several nm, the surface magnetic state is maintained to be antiferromagnetic. By utilizing these phenomena, three-dimensional magnetic patterning of FeRh can be realized, which may potentially be used for future magnetic exchange device application such as nano-scale sensors and memories.

  15. Periodic DFT modeling of bulk and surface properties of MgCl2.

    PubMed

    Credendino, Raffaele; Busico, Vincenzo; Causà, Mauro; Barone, Vincenzo; Budzelaar, Peter H M; Zicovich-Wilson, Claudio

    2009-08-14

    MgCl(2) is the preferred support for the industrial Ziegler-Natta catalysts, and is believed to act as a template for the epitactic chemisorption of the active Ti species. As the first step of a thorough computational modeling of these systems, we studied the bulk and surface structure of the ordered alpha and beta phases of MgCl(2) by means of periodic DFT (B3LYP) methods using localized basis sets. The layer structure of both phases was reproduced satisfactorily with the inclusion of a (small) empirical dispersion correction ("DFT-D") as a practical method to describe the attraction between the layers. Surface models were studied on slabs with adequate thickness. It appears that various surfaces exposing 5-coordinated Mg are very similar in energy and are the lowest non-trivial surfaces. Cuts exposing 4-coordinated Mg are significantly less stable; both kinetic and equilibrium models of crystal growth indicate that they should normally not be formed to a significant extent. "Nano-ribbons" of single, flat chains of MgCl(2), sometimes proposed as components of the disordered delta phase, were also evaluated, but are predicted to be unstable to rearrangement. Implications for the role of MgCl(2) as catalyst support are discussed.

  16. Magnetic modification at sub-surface of FeRh bulk by energetic ion beam irradiation

    NASA Astrophysics Data System (ADS)

    Koide, T.; Uno, H.; Sakane, H.; Sakamaki, M.; Amemiya, K.; Iwase, A.; Matsui, T.

    2015-05-01

    Ferromagnetic layered structure has been made at sub-surface of the antiferromagnetic FeRh bulk samples by high energy He ion beam irradiation. In accordance with the Transport of Ions in Matter simulation, such ion beam can effectively deposit the elastic collision energy in several μm regions in the depth from the surface. Measurement with a superconducting quantum interference device reveals the irradiated samples to be ferromagnetic. Assuming that only the part the energy deposited can be modified to be ferromagnetic, the corresponding irradiation induced magnetization is consistent with the data that we previously reported. On the other hand, the X-ray magnetic circular dichroism (XMCD) spectra for the irradiated samples are totally unchanged as those for the unirradiated samples. Since XMCD signal in total emission yield method is considered to be surface sensitive with a typical probing depth of several nm, the surface magnetic state is maintained to be antiferromagnetic. By utilizing these phenomena, three-dimensional magnetic patterning of FeRh can be realized, which may potentially be used for future magnetic exchange device application such as nano-scale sensors and memories.

  17. Cultivable bacteria from bulk water, aggregates, and surface sediments of a tidal flat ecosystem

    NASA Astrophysics Data System (ADS)

    Stevens, Heike; Simon, Meinhard; Brinkhoff, Thorsten

    2009-04-01

    Most-probable-number (MPN) dilution series were used to enumerate and isolate bacteria from bulk water, suspended aggregates, the oxic layer, and the oxic-anoxic transition zone of the sediment of a tidal flat ecosystem in the southern North Sea. The heterotrophic aerobic bacteria were able to grow on agar-agar, alginate, cellulose, chitin, dried and ground Fucus vesiculosus, Marine Broth 2216, palmitate, and starch. MPN counts of bulk water and aggregate samples ranged between 0.18 × 101 and 1.1 × 106 cells per milliliter and those of the sediment surface and the transition zone between 0.8 × 101 and 5.1 × 107 cells per gram dry weight. Marine Broth and F. vesiculosus yielded the highest values of all substrates tested and corresponded to 2.3-32% of 4,6-diamidinophenyl indole cell counts. Strains of seven phylogenetic classes were obtained: Actinobacteria, Bacilli, α- and γ-Proteobacteria, Sphingobacteria, Flavobacteria, and Planctomycetacia. Only with agar-agar as substrate could organisms of all seven classes be isolated.

  18. The drift-diffusion interpretation of the electron current within the organic semiconductor characterized by the bulk single energy trap level

    NASA Astrophysics Data System (ADS)

    Cvikl, B.

    2010-01-01

    The closed solution for the internal electric field and the total charge density derived in the drift-diffusion approximation for the model of a single layer organic semiconductor structure characterized by the bulk shallow single trap-charge energy level is presented. The solutions for two examples of electric field boundary conditions are tested on room temperature current density-voltage data of the electron conducting aluminum/tris(8-hydroxyquinoline aluminum/calcium structure [W. Brütting et al., Synth. Met. 122, 99 (2001)] for which jexp∝Va3.4, within the interval of bias 0.4 V≤Va≤7. In each case investigated the apparent electron mobility determined at given bias is distributed within a given, finite interval of values. The bias dependence of the logarithm of their lower limit, i.e., their minimum values, is found to be in each case, to a good approximation, proportional to the square root of the applied electric field. On account of the bias dependence as incorporated in the minimum value of the apparent electron mobility the spatial distribution of the organic bulk electric field as well as the total charge density turn out to be bias independent. The first case investigated is based on the boundary condition of zero electric field at the electron injection interface. It is shown that for minimum valued apparent mobilities, the strong but finite accumulation of electrons close to the anode is obtained, which characterize the inverted space charge limited current (SCLC) effect. The second example refers to the internal electric field allowing for self-adjustment of its boundary values. The total electron charge density is than found typically to be of U shape, which may, depending on the parameters, peak at both or at either Alq3 boundary. It is this example in which the proper SCLC effect is consequently predicted. In each of the above two cases, the calculations predict the minimum values of the electron apparent mobility, which substantially

  19. Enhanced electron-phonon coupling for a semiconductor charge qubit in a surface phonon cavity

    PubMed Central

    Chen, J. C. H.; Sato, Y.; Kosaka, R.; Hashisaka, M.; Muraki, K.; Fujisawa, T.

    2015-01-01

    Electron-phonon coupling is a major decoherence mechanism, which often causes scattering and energy dissipation in semiconductor electronic systems. However, this electron-phonon coupling may be used in a positive way for reaching the strong or ultra-strong coupling regime in an acoustic version of the cavity quantum electrodynamic system. Here we propose and demonstrate a phonon cavity for surface acoustic waves, which is made of periodic metal fingers that constitute Bragg reflectors on a GaAs/AlGaAs heterostructure. Phonon band gap and cavity phonon modes are identified by frequency, time and spatially resolved measurements of the piezoelectric potential. Tunneling spectroscopy on a double quantum dot indicates the enhancement of phonon assisted transitions in a charge qubit. This encourages studying of acoustic cavity quantum electrodynamics with surface phonons. PMID:26469629

  20. Effects of ion bombardment on bulk GaAs photocathodes with different surface-cleavage planes

    NASA Astrophysics Data System (ADS)

    Liu, Wei; Zhang, Shukui; Stutzman, Marcy; Poelker, Matt

    2016-10-01

    Bulk GaAs samples with different surface cleave planes were implanted with 100 and 10 000 V hydrogen ions inside an ultrahigh vacuum test apparatus to simulate ion back-bombardment of the photocathode inside a DC high voltage photogun. The photocathode yield, or quantum efficiency, could easily be recovered following implantation with 100 V hydrogen ions but not for 10 000 V ions. Moreover, the implantation damage with 10 000 V hydrogen ions was more pronounced for GaAs photocathode samples with (100) and (111A) cleave planes, compared to the photocathode with (110) cleave plane. This result is consistent with enhanced ion channeling for the (110) cleave plane compared to the other cleave planes, with ions penetrating deeper into the photocathode material beyond the absorption depth of the laser light and beyond the region of the photocathode where the photoemitted electrons originate.

  1. The bulk, surface and corner free energies of the square lattice Ising model

    NASA Astrophysics Data System (ADS)

    Baxter, R. J.

    2017-01-01

    We use Kaufman’s spinor method to calculate the bulk, surface and corner free energies {f}{{b}},{f}{{s}},{f}{{s}}\\prime ,{f}{{c}} of the anisotropic square lattice zero-field Ising model for the ordered ferromagnetic case. For {f}{{b}},{f}{{s}},{f}{{s}}\\prime our results of course agree with the early work of Onsager, McCoy and Wu. We also find agreement with the conjectures made by Vernier and Jacobsen (VJ) for the isotropic case. We note that the corner free energy f c depends only on the elliptic modulus k that enters the working, and not on the argument v, which means that VJ’s conjecture applies for the full anisotropic model. The only aspect of this paper that is new is the actual derivation of f c, but by reporting all four free energies together we can see interesting structures linking them.

  2. Unconventional bulk three-dimensional Fermi surface in Kondo insulating SmB6

    NASA Astrophysics Data System (ADS)

    Tan, Beng

    We report the observation of a paradoxical insulator with a bulk state which is electrically insulating and simultaneously yields quantum oscillations typical of good metals. We present high field measurements of conductivity and magnetic torque in high purity single crystals of the Kondo insulator SmB6 which reveal an activated behavior characteristics of an insulator with an energy gap at the Fermi energy in the former and quantum oscillation of frequencies characteristics of a large three-dimensional conduction electron Fermi surface similar to the metallic rare earth hexaborides such as PrB6 and LaB6 in the latter. The quantum oscillations observed in the magnetic torque measurements are characteristic of an unconventional Fermi liquid - the amplitude strongly increases at low temperatures in a stark contrast to the saturating Lifshitz-Kosevich behavior in conventional metallic states.

  3. Correlated electronic structure of Fe in bulk Cs and on a Cs surface

    NASA Astrophysics Data System (ADS)

    Costa, M.; Thunström, P.; Di Marco, I.; Bergman, A.; Klautau, A. B.; Lichtenstein, A. I.; Katsnelson, M. I.; Eriksson, O.

    2013-03-01

    We have investigated the spectral properties of Fe impurities in a Cs host, for both surface and bulk systems, by means of a combination of density functional theory in the local density approximation and dynamical mean-field theory (LDA + DMFT). The effective impurity model arising in LDA + DMFT was solved via two different techniques, i.e., the Hubbard I approximation and the exact diagonalization. It is shown that noticeable differences can be seen in the unoccupied part of the spectrum for different positions of Fe atoms in the host, despite the fact that hybridization between Fe d-states and Cs is low. Our calculations show good agreement with the experimental photoemission spectra reported by Carbone [Carbone, Veronese, Moras, Gardonio, Grazioli, Zhou, Rader, Varykhalov, Krull, Balashov, Mugarza, Gambardella, Lebègue, Eriksson, Katsnelson, and Lichtenstein, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.104.117601 104, 117601 (2010)].

  4. Single-molecule surface studies of fibrinogen and DNA on semiconductors

    NASA Astrophysics Data System (ADS)

    Kong, Xianhua

    Understanding of protein adsorption onto non-biological substrates is of fundamental interest in science, but also has great potential technological applications in medical devices and biosensors. This study explores the non-specific interaction, at the single molecule level, of a blood protein and DNA with semiconductor surfaces through the use of a custom built, non rastering electron emission microscope and a scanning probe microscope. The specifics and history of electron emission are described as well as the equipment used in this study. The protein examined in this study is human plasma fibrinogen, which plays an important role in haemostatis and thrombosis, and deoxyribonucleic acid (DNA) is also studied. A novel technique for determining the photothreshold of biomolecules on single molecule level is developed and applied to fibrinogen molecules adsorbed on oxidized silicon surfaces, using photo-electron emission microscopy (PEEM). Three theoretical models are employed and compared to analyze the experimental photothreshold data. The non-specific adsorption of human plasma fibrinogen on oxidized p- and n- type silicon (100) surfaces is investigated to characterize both hydrophobic interactions and electrostatic forces. The experimental results indicate that hydrophobic interactions are one of the driving forces for protein adsorption and the electrostatic interactions also play a role in the height of the fibrinogen molecules adsorbed on the surface. PEEM images establish a photo threshold of 5.0 +/- 0.2 eV for fibrinogen on both n-type and p-type Si (100) surfaces. We suggest that the photothreshold results from surface state associated Fermi level (EF) pinning and there exists negative charge transfer from the adsorbed fibrinogen onto the p-type silicon substrates, while on n-type silicon substrates negative charge is transferred in the opposite direction. The adsorption of deoxyribonucleic acid (DNA) on mica and silicon is studied in liquid and ambient

  5. Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations

    SciTech Connect

    Mehmood, Faisal; Pachter, Ruth Murphy, Neil R.; Johnson, Walter E.

    2015-11-21

    Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G{sub 0}W{sub 0}, GW{sub 0} to partially self-consistent sc-GW{sub 0}, as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW{sub 0}-BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations.

  6. Energy-level matching of Fe(III) ions grafted at surface and doped in bulk for efficient visible-light photocatalysts.

    PubMed

    Liu, Min; Qiu, Xiaoqing; Miyauchi, Masahiro; Hashimoto, Kazuhito

    2013-07-10

    Photocatalytic reaction rate (R) is determined by the multiplication of light absorption capability (α) and quantum efficiency (QE); however, these two parameters generally have trade-off relations. Thus, increasing α without decreasing QE remains a challenging issue for developing efficient photocatalysts with high R. Herein, using Fe(III) ions grafted Fe(III) doped TiO2 as a model system, we present a novel method for developing visible-light photocatalysts with efficient R, utilizing the concept of energy level matching between surface-grafted Fe(III) ions as co-catalysts and bulk-doped Fe(III) ions as visible-light absorbers. Photogenerated electrons in the doped Fe(III) states under visible-light efficiently transfer to the surface grafted Fe(III) ions co-catalysts, as the doped Fe(III) ions in bulk produced energy levels below the conduction band of TiO2, which match well with the potential of Fe(3+)/Fe(2+) redox couple in the surface grafted Fe(III) ions. Electrons in the surface grafted Fe(III) ions efficiently cause multielectron reduction of adsorbed oxygen molecules to achieve high QE value. Consequently, the present Fe(III)-FexTi1-xO2 nanocomposites exhibited the highest visible-light R among the previously reported photocatalysts for decomposition of gaseous organic compounds. The high R can proceed even under commercial white-light emission diode irradiation and is very stable for long-term use, making it practically useful. Further, this efficient method could be applied in other wide-band gap semiconductors, including ZnO or SrTiO3, and may be potentially applicable for other photocatalysis systems, such as water splitting, CO2 reduction, NOx removal, and dye decomposition. Thus, this method represents a strategic approach to develop new visible-light active photocatalysts for practical uses.

  7. Formation of Ideal Rashba States on Layered Semiconductor Surfaces Steered by Strain Engineering

    SciTech Connect

    Ming, Wenmei; Wang, Z. F.; Zhou, Miao; Yoon, Mina; Liu, Feng

    2015-12-10

    Spin splitting of Rashba states in two-dimensional electron system provides a mechanism of spin manipulation for spintronics applications. However, Rashba states realized experimentally to date are often outnumbered by spin-degenerated substrate states at the same energy range, hindering their practical applications. Here, by density functional theory calculation, we show that Au one monolayer film deposition on a layered semiconductor surface β-InSe(0001) can possess “ideal” Rashba states with large spin splitting, which are completely situated inside the large band gap of the substrate. The position of the Rashba bands can be tuned over a wide range with respect to the substrate band edges by experimentally accessible strain. Furthermore, our nonequilibrium Green’s function transport calculation shows that this system may give rise to the long-sought strong current modulation when made into a device of Datta-Das transistor. Similar systems may be identified with other metal ultrathin films and layered semiconductor substrates to realize ideal Rashba states.

  8. Formation of Ideal Rashba States on Layered Semiconductor Surfaces Steered by Strain Engineering

    DOE PAGES

    Ming, Wenmei; Wang, Z. F.; Zhou, Miao; ...

    2015-12-10

    Spin splitting of Rashba states in two-dimensional electron system provides a mechanism of spin manipulation for spintronics applications. However, Rashba states realized experimentally to date are often outnumbered by spin-degenerated substrate states at the same energy range, hindering their practical applications. Here, by density functional theory calculation, we show that Au one monolayer film deposition on a layered semiconductor surface β-InSe(0001) can possess “ideal” Rashba states with large spin splitting, which are completely situated inside the large band gap of the substrate. The position of the Rashba bands can be tuned over a wide range with respect to the substratemore » band edges by experimentally accessible strain. Furthermore, our nonequilibrium Green’s function transport calculation shows that this system may give rise to the long-sought strong current modulation when made into a device of Datta-Das transistor. Similar systems may be identified with other metal ultrathin films and layered semiconductor substrates to realize ideal Rashba states.« less

  9. Direct imaging of electron recombination and transport on a semiconductor surface by femtosecond time-resolved photoemission electron microscopy

    SciTech Connect

    Fukumoto, Keiki Yamada, Yuki; Koshihara, Shin-ya; Onda, Ken

    2014-02-03

    Much effort has been devoted to the development of techniques to probe carrier dynamics, which govern many semiconductor device characteristics. We report direct imaging of electron dynamics on semiconductor surfaces by time-resolved photoemission electron microscopy using femtosecond laser pulses. The experiments utilized a variable-repetition-rate femtosecond laser system to suppress sample charging problems. The recombination of photogenerated electrons and the lateral motion of the electrons driven by an external electric field on a GaAs surface were visualized. The mobility was estimated from a linear relationship between the drift velocity and the potential gradient.

  10. Surface energy-mediated construction of anisotropic semiconductor wires with selective crystallographic polarity.

    PubMed

    Sohn, Jung Inn; Hong, Woong-Ki; Lee, Sunghoon; Lee, Sanghyo; Ku, JiYeon; Park, Young Jun; Hong, Jinpyo; Hwang, Sungwoo; Park, Kyung Ho; Warner, Jamie H; Cha, SeungNam; Kim, Jong Min

    2014-07-14

    ZnO is a wide band-gap semiconductor with piezoelectric properties suitable for opto-electronics, sensors, and as an electrode material. Controlling the shape and crystallography of any semiconducting nanomaterial is a key step towards extending their use in applications. Whilst anisotropic ZnO wires have been routinely fabricated, precise control over the specific surface facets and tailoring of polar and non-polar growth directions still requires significant refinement. Manipulating the surface energy of crystal facets is a generic approach for the rational design and growth of one-dimensional (1D) building blocks. Although the surface energy is one basic factor for governing crystal nucleation and growth of anisotropic 1D structures, structural control based on surface energy minimization has not been yet demonstrated. Here, we report an electronic configuration scheme to rationally modulate surface electrostatic energies for crystallographic-selective growth of ZnO wires. The facets and orientations of ZnO wires are transformed between hexagonal and rectangular/diamond cross-sections with polar and non-polar growth directions, exhibiting different optical and piezoelectrical properties. Our novel synthetic route for ZnO wire fabrication provides new opportunities for future opto-electronics, piezoelectronics, and electronics, with new topological properties.

  11. Surface energy-mediated construction of anisotropic semiconductor wires with selective crystallographic polarity

    NASA Astrophysics Data System (ADS)

    Sohn, Jung Inn; Hong, Woong-Ki; Lee, Sunghoon; Lee, Sanghyo; Ku, Jiyeon; Park, Young Jun; Hong, Jinpyo; Hwang, Sungwoo; Park, Kyung Ho; Warner, Jamie H.; Cha, Seungnam; Kim, Jong Min

    2014-07-01

    ZnO is a wide band-gap semiconductor with piezoelectric properties suitable for opto-electronics, sensors, and as an electrode material. Controlling the shape and crystallography of any semiconducting nanomaterial is a key step towards extending their use in applications. Whilst anisotropic ZnO wires have been routinely fabricated, precise control over the specific surface facets and tailoring of polar and non-polar growth directions still requires significant refinement. Manipulating the surface energy of crystal facets is a generic approach for the rational design and growth of one-dimensional (1D) building blocks. Although the surface energy is one basic factor for governing crystal nucleation and growth of anisotropic 1D structures, structural control based on surface energy minimization has not been yet demonstrated. Here, we report an electronic configuration scheme to rationally modulate surface electrostatic energies for crystallographic-selective growth of ZnO wires. The facets and orientations of ZnO wires are transformed between hexagonal and rectangular/diamond cross-sections with polar and non-polar growth directions, exhibiting different optical and piezoelectrical properties. Our novel synthetic route for ZnO wire fabrication provides new opportunities for future opto-electronics, piezoelectronics, and electronics, with new topological properties.

  12. [Spatial variation characteristics of surface soil water content, bulk density and saturated hydraulic conductivity on Karst slopes].

    PubMed

    Zhang, Chuan; Chen, Hong-Song; Zhang, Wei; Nie, Yun-Peng; Ye, Ying-Ying; Wang, Ke-Lin

    2014-06-01

    Surface soil water-physical properties play a decisive role in the dynamics of deep soil water. Knowledge of their spatial variation is helpful in understanding the processes of rainfall infiltration and runoff generation, which will contribute to the reasonable utilization of soil water resources in mountainous areas. Based on a grid sampling scheme (10 m x 10 m) and geostatistical methods, this paper aimed to study the spatial variability of surface (0-10 cm) soil water content, soil bulk density and saturated hydraulic conductivity on a typical shrub slope (90 m x 120 m, projected length) in Karst area of northwest Guangxi, southwest China. The results showed that the surface soil water content, bulk density and saturated hydraulic conductivity had different spatial dependence and spatial structure. Sample variogram of the soil water content was fitted well by Gaussian models with the nugget effect, while soil bulk density and saturated hydraulic conductivity were fitted well by exponential models with the nugget effect. Variability of soil water content showed strong spatial dependence, while the soil bulk density and saturated hydraulic conductivity showed moderate spatial dependence. The spatial ranges of the soil water content and saturated hydraulic conductivity were small, while that of the soil bulk density was much bigger. In general, the soil water content increased with the increase of altitude while it was opposite for the soil bulk densi- ty. However, the soil saturated hydraulic conductivity had a random distribution of large amounts of small patches, showing high spatial heterogeneity. Soil water content negatively (P < 0.01) correlated with the bulk density and saturated hydraulic conductivity, while there was no significant correlation between the soil bulk density and saturated hydraulic conductivity.

  13. Governing Equations of Tissue Modelling and Remodelling: A Unified Generalised Description of Surface and Bulk Balance.

    PubMed

    Buenzli, Pascal R

    2016-01-01

    Several biological tissues undergo changes in their geometry and in their bulk material properties by modelling and remodelling processes. Modelling synthesises tissue in some regions and removes tissue in others. Remodelling overwrites old tissue material properties with newly formed, immature tissue properties. As a result, tissues are made up of different "patches", i.e., adjacent tissue regions of different ages and different material properties, within evolving boundaries. In this paper, generalised equations governing the spatio-temporal evolution of such tissues are developed within the continuum model. These equations take into account nonconservative, discontinuous surface mass balance due to creation and destruction of material at moving interfaces, and bulk balance due to tissue maturation. These equations make it possible to model patchy tissue states and their evolution without explicitly maintaining a record of when/where resorption and formation processes occurred. The time evolution of spatially averaged tissue properties is derived systematically by integration. These spatially-averaged equations cannot be written in closed form as they retain traces that tissue destruction is localised at tissue boundaries. The formalism developed in this paper is applied to bone tissues, which exhibit strong material heterogeneities due to their slow mineralisation and remodelling processes. Evolution equations are proposed in particular for osteocyte density and bone mineral density. Effective average equations for bone mineral density (BMD) and tissue mineral density (TMD) are derived using a mean-field approximation. The error made by this approximation when remodelling patchy tissue is investigated. The specific signatures of the time evolution of BMD or TMD during remodelling events are exhibited. These signatures may provide a way to detect remodelling events at lower, unseen spatial resolutions from microCT scans.

  14. Governing Equations of Tissue Modelling and Remodelling: A Unified Generalised Description of Surface and Bulk Balance

    PubMed Central

    Buenzli, Pascal R.

    2016-01-01

    Several biological tissues undergo changes in their geometry and in their bulk material properties by modelling and remodelling processes. Modelling synthesises tissue in some regions and removes tissue in others. Remodelling overwrites old tissue material properties with newly formed, immature tissue properties. As a result, tissues are made up of different “patches”, i.e., adjacent tissue regions of different ages and different material properties, within evolving boundaries. In this paper, generalised equations governing the spatio-temporal evolution of such tissues are developed within the continuum model. These equations take into account nonconservative, discontinuous surface mass balance due to creation and destruction of material at moving interfaces, and bulk balance due to tissue maturation. These equations make it possible to model patchy tissue states and their evolution without explicitly maintaining a record of when/where resorption and formation processes occurred. The time evolution of spatially averaged tissue properties is derived systematically by integration. These spatially-averaged equations cannot be written in closed form as they retain traces that tissue destruction is localised at tissue boundaries. The formalism developed in this paper is applied to bone tissues, which exhibit strong material heterogeneities due to their slow mineralisation and remodelling processes. Evolution equations are proposed in particular for osteocyte density and bone mineral density. Effective average equations for bone mineral density (BMD) and tissue mineral density (TMD) are derived using a mean-field approximation. The error made by this approximation when remodelling patchy tissue is investigated. The specific signatures of the time evolution of BMD or TMD during remodelling events are exhibited. These signatures may provide a way to detect remodelling events at lower, unseen spatial resolutions from microCT scans. PMID:27043309

  15. The Effects of Surface Reconstruction and Electron-Positron Correlation on the Annihilation Characteristics of Positrons Trapped at Semiconductor Surfaces

    SciTech Connect

    Fazleev, N. G.; Jung, E.; Weiss, A. H.

    2009-03-10

    Experimental positron annihilation induced Auger electron spectroscopy (PAES) data from Ge(100) and Ge(111) surfaces display several strong Auger peaks corresponding to M{sub 4,5}N{sub 1}N{sub 2,3}, M{sub 2,3}M{sub 4,5}M{sub 4,5}, M{sub 2,3}M{sub 4,5}V, and M{sub 1}M{sub 4,5}M{sub 4,5} Auger transitions. The integrated peak intensities of Auger transitions have been used to obtain experimental annihilation probabilities for the Ge 3d and 3p core electrons. The experimental data were analyzed by performing theoretical studies of the effects of surface reconstructions and electron-positron correlations on image potential induced surface states and annihilation characteristics of positrons trapped at the reconstructed Ge(100) and Ge(111) surfaces. Calculations of positron surface states and annihilation characteristics have been performed for Ge(100) surface with (2x1), (2x2), and (4x2) reconstructions, and for Ge(111) surface with c(2x8) reconstruction. Estimates of the positron binding energy and annihilation characteristics reveal their sensitivity to the specific atomic structure of the topmost layers of the semiconductor and to the approximations used to describe electron-positron correlations. The results of these theoretical studies are compared with the ones obtained for the reconstructed Si(100)-(2x1) and Si(111)-(7x7) surfaces.

  16. Surface zone articular chondrocytes modulate the bulk and surface mechanical properties of the tissue-engineered cartilage.

    PubMed

    Peng, Gordon; McNary, Sean M; Athanasiou, Kyriacos A; Reddi, A Hari

    2014-12-01

    The central hypothesis of functional tissue engineering is that an engineered construct can serve as a viable replacement tissue in vivo by replicating the structure and function of native tissue. In the case of articular cartilage, this requires the reproduction of the bulk mechanical and surface lubrication properties of native hyaline cartilage. Cartilage tissue engineering has primarily focused on achieving the bulk mechanical properties of native cartilage such as the compressive aggregate modulus and tensile strength. A scaffold-free self-assembling process has been developed that produces engineered cartilage with compressive properties approaching native tissue levels. Thus, the next step in this process is to begin addressing the friction coefficient and wear properties of these engineered constructs. The superficial zone protein (SZP), also known as lubricin or PRG4, is a boundary mode lubricant that is synthesized by surface zone (SZ) articular chondrocytes. Under conditions of high loading and low sliding speeds, SZP reduces friction and wear at the articular surface. The objective of this investigation was to determine whether increasing the proportion of SZ chondrocytes in cartilage constructs, in the absence of external stimuli such as growth factors and mechanical loading, would enhance the secretion of SZP and improve their frictional properties. In this study, cartilage constructs were engineered through a self-assembling process with varying ratios of SZ and middle zone (MZ) chondrocytes (SZ:MZ): 0:100, 25:75, 50:50, 75:25, and 100:0. Constructs containing different ratios of SZ and MZ chondrocytes did not significantly differ in the glycosaminoglycan composition or compressive aggregate modulus. In contrast, tensile properties and collagen content were enhanced in nearly all constructs containing greater amounts of SZ chondrocytes. Increasing the proportion of SZ chondrocytes had the hypothesized effect of improving the synthesis and secretion

  17. Fixing the energy scale in scanning tunneling microscopy on semiconductor surfaces.

    PubMed

    Münnich, Gerhard; Donarini, Andrea; Wenderoth, Martin; Repp, Jascha

    2013-11-22

    In scanning tunneling experiments on semiconductor surfaces, the energy scale within the tunneling junction is usually unknown due to tip-induced band bending. Here, we experimentally recover the zero point of the energy scale by combining scanning tunneling microscopy with Kelvin probe force spectroscopy. With this technique, we revisit shallow acceptors buried in GaAs. Enhanced acceptor-related conductance is observed in negative, zero, and positive band-bending regimes. An Anderson-Hubbard model is used to rationalize our findings, capturing the crossover between the acceptor state being part of an impurity band for zero band bending and the acceptor state being split off and localized for strong negative or positive band bending, respectively.

  18. One-step photoembossing for submicrometer surface relief structures in liquid crystal semiconductors.

    PubMed

    Liedtke, Alicia; Lei, Chunhong; O'Neill, Mary; Dyer, Peter E; Kitney, Stuart P; Kelly, Stephen M

    2010-06-22

    We report a new single-step method to directly imprint nanometer-scale structures on photoreactive organic semiconductors. A surface relief grating is spontaneously formed when a light-emitting, liquid crystalline, and semiconducting thin film is irradiated by patterned light generated using a phase mask. Grating formation requires no postannealing nor wet etching so there is potential for high-throughput fabrication. The structured film is cross-linked for robustness. Gratings deeper than the original film thickness are made with periods as small as 265 nm. Grating formation is attributed to mass transfer, enhanced by self-assembly, from dark to illuminated regions. A photovoltaic device incorporating the grating is discussed.

  19. Implementation of Surface Acoustic Wave Vapor Sensor Using Complementary Metal-Oxide-Semiconductor Amplifiers

    NASA Astrophysics Data System (ADS)

    Chiu, Chia-Sung; Chang, Ching-Chun; Ku, Chia-Lin; Peng, Kang-Ming; Jeng, Erik S.; Chen, Wen-Lin; Huang, Guo-Wei; Wu, Lin-Kun

    2009-04-01

    A surface acoustic wave (SAW) vapor sensor is presented in this work. A SAW delay line oscillator on quartz substrate with the high gain complementary metal-oxide-semiconductor (CMOS) amplifier using a two-poly-two-metal (2P2M) 0.35 µm process was designed. The gain of the CMOS amplifier and its total power consumption are 20 dB and 70 mW, respectively. The achieved phase noise of this SAW oscillator is -150 dBc/Hz at 100 kHz offset. The sensing is successfully demonstrated by a thin poly(epichlorohydrin) (PECH) polymer film on a SAW oscillator with alcohol vapor. This two-in-one sensor unit includes the SAW device and the CMOS amplifier provides designers with comprehensive model for using these components for sensor circuit fabrication. Furthermore it will be promising for future chemical and biological sensing applications.

  20. Long- and short-period nanostructure formation on semiconductor surfaces at different ambient conditions

    SciTech Connect

    Ganeev, R. A.; Baba, M.; Kuroda, H.; Ozaki, T.

    2010-05-15

    We present the results of studies of nanoripples formation during interaction of the 800 nm, 120, and 35 fs pulses with semiconductor surfaces. Simultaneous appearance of the ripples with the period (700 nm) close to the wavelength of interacting radiation and considerably smaller period (180 nm) was achieved. We discuss the experimental conditions for the formation of these nanoripples (incidence angle, polarization, number of shots, etc.). We show a decisive role of surrounding medium on the quality of nanoripples formation. The self-organization of high-quality nanoripples was clearly shown in the case of dense surrounding medium (methanol), while in the case of insufficient amount of surrounding material (i.e., at different vacuum conditions), the quality of ripples considerably decreased.

  1. Magnetic order in a frustrated two-dimensional atom lattice at a semiconductor surface.

    PubMed

    Li, Gang; Höpfner, Philipp; Schäfer, Jörg; Blumenstein, Christian; Meyer, Sebastian; Bostwick, Aaron; Rotenberg, Eli; Claessen, Ralph; Hanke, Werner

    2013-01-01

    Two-dimensional electron systems, as exploited for device applications, can lose their conducting properties because of local Coulomb repulsion, leading to a Mott-insulating state. In triangular geometries, any concomitant antiferromagnetic spin ordering can be prevented by geometric frustration, spurring speculations about 'melted' phases, known as spin liquid. Here we show that for a realization of a triangular electron system by epitaxial atom adsorption on a semiconductor, such spin disorder, however, does not appear. Our study compares the electron excitation spectra obtained from theoretical simulations of the correlated electron lattice with data from high-resolution photoemission. We find that an unusual row-wise antiferromagnetic spin alignment occurs that is reflected in the photoemission spectra as characteristic 'shadow bands' induced by the spin pattern. The magnetic order in a frustrated lattice of otherwise non-magnetic components emerges from longer-range electron hopping between the atoms. This finding can offer new ways of controlling magnetism on surfaces.

  2. Study of interface formation on the cleavage surfaces of A3{B}6 layered semiconductors

    NASA Astrophysics Data System (ADS)

    Galiy, P. V.; Nenchuk, T. M.; Stakhira, J. M.

    2001-01-01

    The adsorption activity of In4Se3, In4Se3(Ag), InSe, GaSe and TlGaSe2 semiconductor crystal interlayer cleavage surfaces relatively to N2, O2, CO gases and water vapour has been studied by Auger electron spectroscopy and mass spectrometry. It has been determined that atomically clean layered crystal surfaces do not adsorb N2 and water vapour but reveal a low activity with respect to O2. The kinetics of CO adsorption on surfaces obtained by cleavage in an UHV have been investigated. Indium and gallium selenides adsorb CO with the tendency increasing in the sequence GaSe→TlGaSe2→ InSe→In4Se3 crystals; In4Se3 is essentially more active than the others. The adsorption model with dissociations of the CO molecule and carbon adsorption resulting from the layered structure and peculiarities in the electron-energy spectra of the crystals and their surfaces is discussed with the In4Se3 crystal serving as example.

  3. Epitaxial growth of large-gap quantum spin Hall insulator on semiconductor surface

    PubMed Central

    Zhou, Miao; Ming, Wenmei; Liu, Zheng; Wang, Zhengfei; Li, Ping; Liu, Feng

    2014-01-01

    Formation of topological quantum phase on a conventional semiconductor surface is of both scientific and technological interest. Here, we demonstrate epitaxial growth of 2D topological insulator, i.e., quantum spin Hall state, on Si(111) surface with a large energy gap, based on first-principles calculations. We show that the Si(111) surface functionalized with one-third monolayer of halogen atoms [Si(111)-3×3-X (X = Cl, Br, I)] exhibiting a trigonal superstructure provides an ideal template for epitaxial growth of heavy metals, such as Bi, which self-assemble into a hexagonal lattice with high kinetic and thermodynamic stability. Most remarkably, the Bi overlayer is atomically bonded to but electronically decoupled from the underlying Si substrate, exhibiting isolated quantum spin Hall state with an energy gap as large as ∼0.8 eV. This surprising phenomenon originates from an intriguing substrate-orbital-filtering effect, which critically selects the orbital composition around the Fermi level, leading to different topological phases. In particular, the substrate-orbital-filtering effect converts the otherwise topologically trivial freestanding Bi lattice into a nontrivial phase; and the reverse is true for Au lattice. The underlying physical mechanism is generally applicable, opening a new and exciting avenue for exploration of large-gap topological surface/interface states. PMID:25246584

  4. Surface passivation and interface properties of bulk GaAs and epitaxial-GaAs/Ge using atomic layer deposited TiAlO alloy dielectric.

    PubMed

    Dalapati, G K; Chia, C K; Tan, C C; Tan, H R; Chiam, S Y; Dong, J R; Das, A; Chattopadhyay, S; Mahata, C; Maiti, C K; Chi, D Z

    2013-02-01

    High quality surface passivation on bulk-GaAs substrates and epitaxial-GaAs/Ge (epi-GaAs) layers were achieved by using atomic layer deposited (ALD) titanium aluminum oxide (TiAlO) alloy dielectric. The TiAlO alloy dielectric suppresses the formation of defective native oxide on GaAs layers. X-ray photoelectron spectroscopy (XPS) analysis shows interfacial arsenic oxide (As(x)O(y)) and elemental arsenic (As) were completely removed from the GaAs surface. Energy dispersive X-ray diffraction (EDX) analysis and secondary ion mass spectroscopy (SIMS) analysis showed that TiAlO dielectric is an effective barrier layer for reducing the out-diffusion of elemental atoms, enhancing the electrical properties of bulk-GaAs based metal-oxide-semiconductor (MOS) devices. Moreover, ALD TiAlO alloy dielectric on epi-GaAs with AlGaAs buffer layer realized smooth interface between epi-GaAs layers and TiAlO dielectric, yielding a high quality surface passivation on epi-GaAs layers, much sought-after for high-speed transistor applications on a silicon platform. Presence of a thin AlGaAs buffer layer between epi-GaAs and Ge substrates improved interface quality and gate dielectric quality through the reduction of interfacial layer formation (Ga(x)O(y)) and suppression of elemental out-diffusion (Ga and As). The AlGaAs buffer layer and TiAlO dielectric play a key role to suppress the roughening, interfacial layer formation, and impurity diffusion into the dielectric, which in turn largely enhances the electrical property of the epi-GaAs MOS devices.

  5. Effect of surface charge and s-wave component on (001) surface and bulk states of YBa2Cu3O7-δ

    NASA Astrophysics Data System (ADS)

    Pasanai, K.

    2017-01-01

    The local densities of the (001) surface and bulk states (LDOS) of thin YBa2Cu3O7-δ films were studied based on the self-consistent tight binding model. The CuO-chain and CuO2-plane layers were considered to be a coupling between bands, and then the input surface charge density and the s-wave sub-dominant component were included in the material. In the calculation process, the surface and bulk states were determined, for comparison. It was found that the size of the superconducting gap of a plane layer at the surface increased with an increasing input of the surface charge density, but the LDOS in the bulk were not affected much by this change. When the s-wave component was included in the material, it affected several peaks in the LDOS. This caused some peaks to split while some other peaks became sharper.

  6. Semiconductor sensors

    NASA Technical Reports Server (NTRS)

    Gatos, Harry C. (Inventor); Lagowski, Jacek (Inventor)

    1977-01-01

    A semiconductor sensor adapted to detect with a high degree of sensitivity small magnitudes of a mechanical force, presence of traces of a gas or light. The sensor includes a high energy gap (i.e., .about. 1.0 electron volts) semiconductor wafer. Mechanical force is measured by employing a non-centrosymmetric material for the semiconductor. Distortion of the semiconductor by the force creates a contact potential difference (cpd) at the semiconductor surface, and this cpd is determined to give a measure of the force. When such a semiconductor is subjected to illumination with an energy less than the energy gap of the semiconductors, such illumination also creates a cpd at the surface. Detection of this cpd is employed to sense the illumination itself or, in a variation of the system, to detect a gas. When either a gas or light is to be detected and a crystal of a non-centrosymmetric material is employed, the presence of gas or light, in appropriate circumstances, results in a strain within the crystal which distorts the same and the distortion provides a mechanism for qualitative and quantitative evaluation of the gas or the light, as the case may be.

  7. Nonlinear dependence between the surface reflectance and the duty-cycle of semiconductor nanorod array.

    PubMed

    Pai, Yi-Hao; Lin, Yu-Chan; Tsai, Jai-Lin; Lin, Gong-Ru

    2011-01-31

    The nonlinear dependence between the duty-cycle of semiconductor nanorod array and its surface reflectance minimization is demonstrated. The duty-cycle control on thin-SiO2 covered Si nanorod array is performed by O(2-) plasma pre-etching the self-assembled polystyrene nanosphere array mask with area density of 4 × 10(8) rod/cm(-2). The 120-nm high SiO2 covered Si nanorod array is obtained after subsequent CF4/O2 plasma etching for 160 sec. This results in a tunable nanorod diameter from 445 to 285 nm after etching from 30 to 80 sec, corresponding to a varying nanorod duty-cycle from 89% to 57%. The TM-mode reflection analysis shows a diminishing Brewster angle shifted from 71° to 54° with increasing nanorod duty-cycle from 57% to 89% at 532 nm. The greatly reduced small-angle reflectance reveals a nonlinear trend with enlarging duty-cycle, leading to a minimum surface reflectance at nanorod duty-cycle of 85%. Both the simulation and experiment indicate that such a surface reflectance minimum is even lower than that of a uniformly SiO2 covered Si substrate on account of its periodical nanorod array architecture with tuned duty-cycle.

  8. Mobility of large clusters on a semiconductor surface: Kinetic Monte Carlo simulation results

    NASA Astrophysics Data System (ADS)

    M, Esen; A, T. Tüzemen; M, Ozdemir

    2016-01-01

    The mobility of clusters on a semiconductor surface for various values of cluster size is studied as a function of temperature by kinetic Monte Carlo method. The cluster resides on the surface of a square grid. Kinetic processes such as the diffusion of single particles on the surface, their attachment and detachment to/from clusters, diffusion of particles along cluster edges are considered. The clusters considered in this study consist of 150-6000 atoms per cluster on average. A statistical probability of motion to each direction is assigned to each particle where a particle with four nearest neighbors is assumed to be immobile. The mobility of a cluster is found from the root mean square displacement of the center of mass of the cluster as a function of time. It is found that the diffusion coefficient of clusters goes as D = A(T)Nα where N is the average number of particles in the cluster, A(T) is a temperature-dependent constant and α is a parameter with a value of about -0.64 < α < -0.75. The value of α is found to be independent of cluster sizes and temperature values (170-220 K) considered in this study. As the diffusion along the perimeter of the cluster becomes prohibitive, the exponent approaches a value of -0.5. The diffusion coefficient is found to change by one order of magnitude as a function of cluster size.

  9. Peptide-functionalized semiconductor surfaces: strong surface electronic effects from minor alterations to backbone composition.

    PubMed

    Matmor, Maayan; Lengyel, George A; Horne, W Seth; Ashkenasy, Nurit

    2017-02-22

    The use of non-canonical amino acids is a powerful way to control protein structure. Here, we show that subtle changes to backbone composition affect the ability of a dipeptide to modify solid surface electronic properties. The extreme sensitivity of the interactions to the peptide structure suggests potential applications in improving the performance of electronic devices.

  10. "Liquid-liquid-solid"-type superoleophobic surfaces to pattern polymeric semiconductors towards high-quality organic field-effect transistors.

    PubMed

    Wu, Yuchen; Su, Bin; Jiang, Lei; Heeger, Alan J

    2013-12-03

    Precisely aligned organic-liquid-soluble semiconductor microwire arrays have been fabricated by "liquid-liquid-solid" type superoleophobic surfaces directed fluid drying. Aligned organic 1D micro-architectures can be built as high-quality organic field-effect transistors with high mobilities of >10 cm(2) ·V(-1) ·s(-1) and current on/off ratio of more than 10(6) . All these studies will boost the development of 1D microstructures of organic semiconductor materials for potential application in organic electronics.

  11. Bismuth-induced surface structure and morphology in III-V semiconductors

    NASA Astrophysics Data System (ADS)

    Duzik, Adam J.

    2015-04-01

    Bi is the largest group V element and has a number of advantages in III-V semiconductor properties, such as bandgap reduction, spin-orbit coupling, a preserved electron mobility over III-V-N materials, and nearly ideal surfactant properties resulting in a surface smoothing effect on GaAs. However, the mechanism for this behavior is not well understood. Insight on the mechanism is obtained through study of the Bi-terminated GaAs surface morphology and atomic reconstructions produced via molecular beam epitaxy (MBE). Experimental scanning tunneling microscopy (STM) characterization of the Bi/GaAs surface reveal disordered (1x3), (2x3), and (4x3) reconstructions, often sharing the same reflective high-energy electron diffraction (RHEED) patterns. Roughness on the micron length scale decreases as the step widen, attributed to the concurrent increase of opposite direction step edges on the nanometer length scale. Corresponding cluster expansion, density functional theory (DFT), and Monte Carlo simulations all point to the stability of the disordered (4x3) reconstruction at finite temperature as observed in experimental STM. The effects of incorporated Bi are determined through epitaxial GaSbBi growth on GaSb with various Ga:Sb:Bi flux ratios. Biphasic surface droplets are observed with sub-droplets, facets, and substrate etching. Despite the rough growth front, X-ray diffraction (XRD) and Rutherford backscatter (RBS) measurements show significant Bi incorporation of up to 12% into GaSb, along with a concurrent increase of background As concentration. This is attributed to a strain auto-compensation effect. Bi incorporation of up to 10% is observed for the highest Bi fluxes while maintaining low surface droplet density.

  12. adwTools Developed: New Bulk Alloy and Surface Analysis Software for the Alloy Design Workbench

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Morse, Jeffrey A.; Noebe, Ronald D.; Abel, Phillip B.

    2004-01-01

    A suite of atomistic modeling software, called the Alloy Design Workbench, has been developed by the Computational Materials Group at the NASA Glenn Research Center and the Ohio Aerospace Institute (OAI). The main goal of this software is to guide and augment experimental materials research and development efforts by creating powerful, yet intuitive, software that combines a graphical user interface with an operating code suitable for real-time atomistic simulations of multicomponent alloy systems. Targeted for experimentalists, the interface is straightforward and requires minimum knowledge of the underlying theory, allowing researchers to focus on the scientific aspects of the work. The centerpiece of the Alloy Design Workbench suite is the adwTools module, which concentrates on the atomistic analysis of surfaces and bulk alloys containing an arbitrary number of elements. An additional module, adwParams, handles ab initio input for the parameterization used in adwTools. Future modules planned for the suite include adwSeg, which will provide numerical predictions for segregation profiles to alloy surfaces and interfaces, and adwReport, which will serve as a window into the database, providing public access to the parameterization data and a repository where users can submit their own findings from the rest of the suite. The entire suite is designed to run on desktop-scale computers. The adwTools module incorporates a custom OAI/Glenn-developed Fortran code based on the BFS (Bozzolo- Ferrante-Smith) method for alloys, ref. 1). The heart of the suite, this code is used to calculate the energetics of different compositions and configurations of atoms.

  13. Is the surface oxygen exchange rate linked to bulk ion diffusivity in mixed conducting Ruddlesden–Popper phases?

    SciTech Connect

    Tomkiewicz, Alex C.; Tamimi, Mazin A.; Huq, Ashfia; McIntosh, Steven

    2015-03-02

    There is a possible link between oxygen surface exchange rate and bulk oxygen anion diffusivity in mixed ionic and electronic conducting oxides; it is a topic of great interest and debate. While a large body of experimental evidence and theoretical analyses support a link, observed differences between bulk and surface composition of these materials are hard to reconcile with this observation. This is further compounded by potential problems with simultaneous measurement of both parameters. Here we utilize separate techniques, in situ neutron diffraction and pulsed isotopic surface exchange, to examine bulk ion mobility and surface oxygen exchange rates of three Ruddlesden-Popper phases, general form An-1A2'BnO3n+1, An-1A2'BnX3n+1; LaSrCo0.5Fe0.5O4-δ (n = 1), La0.3Sr2.7CoFeO7-δ (n = 2) and LaSr3Co1.5Fe1.5O10-δ (n = 3). These measurements are complemented by surface composition determination via high sensitivity-low energy ion scattering. We observe a correlation between bulk ion mobility and surface exchange rate between materials. The surface exchange rates vary by more than one order of magnitude with high anion mobility in the bulk of an oxygen vacancy-rich n = 2 Ruddlesden-Popper material correlating with rapid oxygen exchange. Furthermore this is in contrast with the similar surface exchange rates which we may expect due to similar surface compositions across all three samples. This paper conclude that experimental limitations lead to inherent convolution of surface and bulk rates, and that surface exchange steps are not likely to be rate limiting in oxygen incorporation.

  14. Effect of the photoreaction solvent on surface and bulk properties of poly(lactic acid) and poly(hydroxyalkanoate) films.

    PubMed

    Rasal, Rahul M; Bohannon, Bradley G; Hirt, Douglas E

    2008-05-01

    The major objective of this research was to modify the surface properties of poly(lactic acid) (PLA) and poly(hydroxyalkanoate) (PHA) films by using a sequential two-step photografting approach. In step 1, benzophenone was photografted on the film surface and in step 2, hydrophilic monomers acrylamide and acrylic acid were photopolymerized from the film surfaces. Another objective was to study the effect of the reaction solvent in step 2 on surface and bulk properties of these films. ATR-FTIR spectroscopy and water contact angle goniometry were used to characterize the resultant film surfaces. When ethanol was used as the solvent in step 2, there was significant penetration of the monomers into the films, and bulk properties such as toughness and percent elongation at break were drastically affected. The penetration of these monomers into the bulk was characterized using transmission FTIR microspectroscopy. Microtomed sections of the surface-modified films were placed in a diamond compression cell to perform the FTIR microspectroscopic analyses. The observed monomer penetration into the films was successfully reduced by using water instead of ethanol in step 2, and resultant films showed higher toughness and percent elongation at break than films surface-modified using ethanol as a solvent in step 2.

  15. Investigation of preparation methods on surface/bulk structural relaxation and glass fragility of amorphous solid dispersions.

    PubMed

    Ke, Peng; Hasegawa, Susumu; Al-Obaidi, Hisham; Buckton, Graham

    2012-01-17

    The objective of this study was to investigate the effect of preparation methods on the surface/bulk molecular mobility and glass fragility of solid dispersions. Solid dispersions containing indomethacin and PVP K30 were chosen as the model system. An inverse gas chromatography method was used to determine the surface structural relaxation of the solid dispersions and these data were compared to those for bulk relaxation obtained by DSC. The values of τ(β) for the surface relaxation were 4.6, 7.1 and 1.8h for melt quenched, ball milled and spray dried solid dispersions respectively, compared to 15.6, 7.9 and 9.8h of the bulk. In all systems, the surface had higher molecular mobility than the bulk. The glass fragility of the solid dispersions was also influenced by the preparation methods with the most fragile system showing the best stability. The zero mobility temperature (T(0)) was used to correlate with the physical stability of the solid dispersions. Despite having similar T(g) (65°C), the T(0) of the melt quenched, ball milled and spray dried samples were 21.6, -4.2 and 16.7°C respectively which correlated well with their physical stability results. Therefore, T(0) appears to be a better indicator than T(g) for predicting stability of amorphous materials.

  16. A perfectly stoichiometric and flat CeO2(111) surface on a bulk-like ceria film

    PubMed Central

    Barth, C.; Laffon, C.; Olbrich, R.; Ranguis, A.; Parent, Ph.; Reichling, M.

    2016-01-01

    In surface science and model catalysis, cerium oxide (ceria) is mostly grown as an ultra-thin film on a metal substrate in the ultra-high vacuum to understand fundamental mechanisms involved in diverse surface chemistry processes. However, such ultra-thin films do not have the contribution of a bulk ceria underneath, which is currently discussed to have a high impact on in particular surface redox processes. Here, we present a fully oxidized ceria thick film (180 nm) with a perfectly stoichiometric CeO2(111) surface exhibiting exceptionally large, atomically flat terraces. The film is well-suited for ceria model studies as well as a perfect substitute for CeO2 bulk material. PMID:26879800

  17. A perfectly stoichiometric and flat CeO2(111) surface on a bulk-like ceria film

    NASA Astrophysics Data System (ADS)

    Barth, C.; Laffon, C.; Olbrich, R.; Ranguis, A.; Parent, Ph.; Reichling, M.

    2016-02-01

    In surface science and model catalysis, cerium oxide (ceria) is mostly grown as an ultra-thin film on a metal substrate in the ultra-high vacuum to understand fundamental mechanisms involved in diverse surface chemistry processes. However, such ultra-thin films do not have the contribution of a bulk ceria underneath, which is currently discussed to have a high impact on in particular surface redox processes. Here, we present a fully oxidized ceria thick film (180 nm) with a perfectly stoichiometric CeO2(111) surface exhibiting exceptionally large, atomically flat terraces. The film is well-suited for ceria model studies as well as a perfect substitute for CeO2 bulk material.

  18. A perfectly stoichiometric and flat CeO2(111) surface on a bulk-like ceria film.

    PubMed

    Barth, C; Laffon, C; Olbrich, R; Ranguis, A; Parent, Ph; Reichling, M

    2016-02-16

    In surface science and model catalysis, cerium oxide (ceria) is mostly grown as an ultra-thin film on a metal substrate in the ultra-high vacuum to understand fundamental mechanisms involved in diverse surface chemistry processes. However, such ultra-thin films do not have the contribution of a bulk ceria underneath, which is currently discussed to have a high impact on in particular surface redox processes. Here, we present a fully oxidized ceria thick film (180 nm) with a perfectly stoichiometric CeO2(111) surface exhibiting exceptionally large, atomically flat terraces. The film is well-suited for ceria model studies as well as a perfect substitute for CeO2 bulk material.

  19. Quantifying the density of surface capping ligands on semiconductor quantum dots

    NASA Astrophysics Data System (ADS)

    Zhan, Naiqian; Palui, Goutam; Merkl, Jan-Philip; Mattoussi, Hedi

    2015-03-01

    We have designed a new set of coordinating ligands made of a lipoic acid (LA) anchor and poly(ethylene glycol) (PEG) hydrophilic moiety appended with a terminal aldehyde for the surface functionalization of QDs. This ligand design was combined with a recently developed photoligation strategy to prepare hydrophilic CdSe-ZnS QDs with good control over the fraction of intact aldehyde (-CHO) groups per nanocrystal. We further applied the efficient hydrazone ligation to react aldehyde-QDs with 2-hydrazinopyridine (2-HP). This covalent modification produces QD-conjugates with a well-defined absorption feature at 350 nm ascribed to the hydrazone chromophore. We exploited this unique optical signature to accurately measure the number of aldehyde groups per QD when the fraction of LA-PEG-CHO per nanocrystal was varied. This allowed us to extract an estimate for the number of LA-PEG ligands per QD. These results suggest that hydrazone ligation has the potential to provide a simple and general analytical method to estimate the number of surface ligands for a variety of nanocrystals such as metal, metal oxide and semiconductor nanocrystals.

  20. Efficient power extraction in surface-emitting semiconductor lasers using graded photonic heterostructures.

    PubMed

    Xu, Gangyi; Colombelli, Raffaele; Khanna, Suraj P; Belarouci, Ali; Letartre, Xavier; Li, Lianhe; Linfield, Edmund H; Davies, A Giles; Beere, Harvey E; Ritchie, David A

    2012-07-17

    Symmetric and antisymmetric band-edge modes exist in distributed feedback surface-emitting semiconductor lasers, with the dominant difference being the radiation loss. Devices generally operate on the low-loss antisymmetric modes, although the power extraction efficiency is low. Here we develop graded photonic heterostructures, which localize the symmetric mode in the device centre and confine the antisymmetric modes close to the laser facet. This modal spatial separation is combined with absorbing boundaries to increase the antisymmetric mode loss, and force device operation on the symmetric mode, with elevated radiation efficiency. Application of this concept to terahertz quantum cascade lasers leads to record-high peak-power surface emission (>100 mW) and differential efficiencies (230 mW A(-1)), together with low-divergence, single-lobed emission patterns, and is also applicable to continuous-wave operation. Such flexible tuning of the radiation loss using graded photonic heterostructures, with only a minimal influence on threshold current, is highly desirable for optimizing second-order distributed feedback lasers.

  1. A scale-bridging modeling approach for anisotropic organic molecules at patterned semiconductor surfaces.

    PubMed

    Kleppmann, Nicola; Klapp, Sabine H L

    2015-02-14

    Hybrid systems consisting of organic molecules at inorganic semiconductor surfaces are gaining increasing importance as thin film devices for optoelectronics. The efficiency of such devices strongly depends on the collective behavior of the adsorbed molecules. In the present paper, we propose a novel, coarse-grained model addressing the condensed phases of a representative hybrid system, that is, para-sexiphenyl (6P) at zinc-oxide (ZnO). Within our model, intermolecular interactions are represented via a Gay-Berne potential (describing steric and van-der-Waals interactions) combined with the electrostatic potential between two linear quadrupoles. Similarly, the molecule-substrate interactions include a coupling between a linear molecular quadrupole to the electric field generated by the line charges characterizing ZnO(10-10). To validate our approach, we perform equilibrium Monte Carlo simulations, where the lateral positions are fixed to a 2D lattice, while the rotational degrees of freedom are continuous. We use these simulations to investigate orientational ordering in the condensed state. We reproduce various experimentally observed features such as the alignment of individual molecules with the line charges on the surface, the formation of a standing uniaxial phase with a herringbone structure, as well as the formation of a lying nematic phase.

  2. PRECISION CLEANING OF SEMICONDUCTOR SURFACES USING CARBON DIOXIDE-BASED FLUIDS

    SciTech Connect

    J. RUBIN; L. SIVILS; A. BUSNAINA

    1999-07-01

    The Los Alamos National Laboratory, on behalf of the Hewlett-Packard Company, is conducting tests of a closed-loop CO{sub 2}-based supercritical fluid process, known as Supercritical CO{sub 2} Resist Remover (SCORR). We have shown that this treatment process is effective in removing hard-baked, ion-implanted photoresists, and appears to be fully compatible with metallization systems. We are now performing experiments on production wafers to assess not only photoresist removal, but also residual surface contamination due to particulate and trace metals. Dense-phase (liquid or supercritical) CO{sub 2}, since it is non-polar, acts like an organic solvent and therefore has an inherently high volubility for organic compounds such as oils and greases. Also, dense CO{sub 2} has a low-viscosity and a low dielectric constant. Finally, CO{sub 2} in the liquid and supercritical fluid states can solubilize metal completing agents and surfactants. This combination of properties has interesting implications for the removal not only of organic films, but also trace metals and inorganic particulate. In this paper we discuss the possibility of using CO{sub 2} as a precision-cleaning solvent, with particular emphasis on semiconductor surfaces.

  3. A scale-bridging modeling approach for anisotropic organic molecules at patterned semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Kleppmann, Nicola; Klapp, Sabine H. L.

    2015-02-01

    Hybrid systems consisting of organic molecules at inorganic semiconductor surfaces are gaining increasing importance as thin film devices for optoelectronics. The efficiency of such devices strongly depends on the collective behavior of the adsorbed molecules. In the present paper, we propose a novel, coarse-grained model addressing the condensed phases of a representative hybrid system, that is, para-sexiphenyl (6P) at zinc-oxide (ZnO). Within our model, intermolecular interactions are represented via a Gay-Berne potential (describing steric and van-der-Waals interactions) combined with the electrostatic potential between two linear quadrupoles. Similarly, the molecule-substrate interactions include a coupling between a linear molecular quadrupole to the electric field generated by the line charges characterizing ZnO(10-10). To validate our approach, we perform equilibrium Monte Carlo simulations, where the lateral positions are fixed to a 2D lattice, while the rotational degrees of freedom are continuous. We use these simulations to investigate orientational ordering in the condensed state. We reproduce various experimentally observed features such as the alignment of individual molecules with the line charges on the surface, the formation of a standing uniaxial phase with a herringbone structure, as well as the formation of a lying nematic phase.

  4. Surface and bulk 4f-photoemission spectra of CeIn{sub 3} and CeSn{sub 3}

    SciTech Connect

    Kim, H.; Tjernberg, O.; Chiaia, G.; Kumigashira, H.; Takahashi, T.; Duo, L.; Sakai, O.; Kasaya, M.; Lindau, I.

    1997-07-01

    Resonant photoemission spectroscopy was performed on CeIn{sub 3} and CeSn{sub 3} at the 4d-4f and 3d-4f core thresholds. Using the different surface sensitivity between the two photon energies, surface and bulk 4f-photoemission spectra were derived for both compounds. With the noncrossing approximation of the Anderson impurity model, the 4d-4f resonant spectra together with the surface and bulk spectra were self-consistently analyzed to obtain the microscopic parameters such as the 4f-electron energy and the hybridization strength with conduction electrons. The result shows a substantial difference in these parameters between the surface and the bulk, indicating that it is important to take into account the surface effect in analyzing photoemission spectra of Ce compounds. It is also found that the 4f surface core-level shift is different between CeIn{sub 3} and CeSn{sub 3}. {copyright} {ital 1997} {ital The American Physical Society}

  5. Nonlinear theory of surface-helical instability of a semiconductor plasma. III. Analysis of nonlinear effects

    NASA Astrophysics Data System (ADS)

    Karavaev, F. G.; Uspenskii, B. A.; Chuprikov, N. L.

    1980-05-01

    Results obtained earlier in [1, 2] are used to calculate the nonlinear parameters of the helical instability of a semiconductor plasma that fills a half-space. It is found that in semiconductors with intrinsic or almost intrinsic conduction an “explosive” type of instability development occurs, this being due to the effect of the electric self-field of the wave.

  6. Strong perpendicular magnetocrystalline anisotropy of bulk and the (001) surface of DO22Mn3Ga: a density functional study.

    PubMed

    Yun, Won Seok; Cha, Gi-Beom; Kim, In Gee; Rhim, S H; Hong, Soon Cheol

    2012-10-17

    Strong perpendicular magnetocrystalline anisotropy (MCA) and low saturation magnetization are found in DO22Mn(3)Ga using the full-potential linearized augmented plane wave (FLAPW) method. The ferrimagnetism in the bulk is well preserved in the surfaces of Mn(3)Ga for two possible terminations, where the perpendicular MCA in the (001) direction is greatly enhanced over the bulk, consistent with experiments. Furthermore, the robustness of MCA with respect to lattice strain and a good lattice match with popular substrates suggest that Mn(3)Ga can be a good candidate for strain-resistance spintronics applications.

  7. A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculations.

    PubMed

    Evarestov, R A; Bandura, A V; Losev, M V; Kotomin, E A; Zhukovskii, Yu F; Bocharov, D

    2008-10-01

    LCAO and PW DFT calculations of the lattice constant, bulk modulus, cohesive energy, charge distribution, band structure, and DOS for UN single crystal are analyzed. It is demonstrated that a choice of the uranium atom relativistic effective core potentials considerably affects the band structure and magnetic structure at low temperatures. All calculations indicate mixed metallic-covalent chemical bonding in UN crystal with U5f states near the Fermi level. On the basis of the experience accumulated in UN bulk simulations, we compare the atomic and electronic structure as well as the formation energy for UN(001) surface calculated on slabs of different thickness using both DFT approaches.

  8. Structural and phase transformation of A{sup III}B{sup V}(100) semiconductor surface in interaction with selenium

    SciTech Connect

    Bezryadin, N. N.; Kotov, G. I. Kuzubov, S. V.

    2015-03-15

    Surfaces of GaAs(100), InAs(100), and GaP(100) substrates thermally treated in selenium vapor have been investigated by transmission electron microscopy and electron probe X-ray microanalysis. Some specific features and regularities of the formation of A{sub 3}{sup III}B{sub 4}{sup VI} (100)c(2 × 2) surface phases and thin layers of gallium or indium selenides A{sub 2}{sup III}B{sub 3}{sup VI} (100) on surfaces of different A{sup III}B{sup V}(100) semiconductors are discussed within the vacancy model of surface atomic structure.

  9. X-ray photoemission analysis of chemically treated GaTe semiconductor surfaces for radiation detector applications

    SciTech Connect

    Nelson, A. J.; Conway, A. M.; Sturm, B. W.; Behymer, E. M.; Reinhardt, C. E.; Nikolic, R. J.; Payne, S. A.; Pabst, G.; Mandal, K. C.

    2009-07-15

    The surface of the layered III-VI chalcogenide semiconductor GaTe was subjected to various chemical treatments commonly used in device fabrication to determine the effect of the resulting microscopic surface composition on transport properties. Various mixtures of H{sub 3}PO{sub 4}:H{sub 2}O{sub 2}:H{sub 2}O were accessed and the treated surfaces were allowed to oxidize in air at ambient temperature. High-resolution core-level photoemission measurements were used to evaluate the subsequent chemistry of the chemically treated surfaces. Metal electrodes were created on laminar (cleaved) and nonlaminar (cut and polished) GaTe surfaces followed by chemical surface treatment and the current versus voltage characteristics were measured. The measurements were correlated to understand the effect of surface chemistry on the electronic structure at these surfaces with the goal of minimizing the surface leakage currents for radiation detector devices.

  10. Surface-enhanced resonance Raman study of the photoreduction of methylviologen on a p-InP semiconductor electrode

    SciTech Connect

    Feng, Q.; Cotton, T.M.

    1986-03-13

    The redox reactions of methylviologen (MV) at a silver electrode and at a p-InP electrode have been studied by cyclic voltammetry and Raman spectroscopy. By deposition of a silver island overlayer onto a p-InP semiconductor electrode the surface enhancement effect was obtained, allowing the MV reduction products formed at the semiconductor electrode to be monitored in situ. The photovoltaic response on p-InP electrode was not perturbed by the presence of the silver overlayer. Surface-enhanced resonance Raman (SERR) spectroscopy has verified the adsorption of the products from the reduction reactions MV/sup 2 +/ + e/sup -/ ..-->.. MV/sup +/. and MV/sup +/. + e/sup -/ ..-->.. MV/sup 0/. The Raman spectrum of one-electron and two-electron (MV/sup 0/) reduced methylviologen was obtained by exhaustive electrolysis in acetonitrile solution to provide an assignment of the surface spectra. 31 references, 4 figures.

  11. Surface and bulk characterization of an ultrafine South African coal fly ash with reference to polymer applications

    NASA Astrophysics Data System (ADS)

    van der Merwe, E. M.; Prinsloo, L. C.; Mathebula, C. L.; Swart, H. C.; Coetsee, E.; Doucet, F. J.

    2014-10-01

    South African coal-fired power stations produce about 25 million tons of fly ash per annum, of which only approximately 5% is currently reused. A growing concern about pollution and increasing landfill costs stimulates research into new ways to utilize coal fly ash for economically beneficial applications. Fly ash particles may be used as inorganic filler in polymers, an application which generally requires the modification of their surface properties. In order to design experiments that will result in controlled changes in surface chemistry and morphology, a detailed knowledge of the bulk chemical and mineralogical compositions of untreated fly ash particles, as well as their morphology and surface properties, is needed. In this paper, a combination of complementary bulk and surface techniques was explored to assess the physicochemical properties of a classified, ultrafine coal fly ash sample, and the findings were discussed in the context of polymer application as fillers. The sample was categorized as a Class F fly ash (XRF). Sixty-two percent of the sample was an amorphous glass phase, with mullite and quartz being the main identified crystalline phases (XRD, FTIR). Quantitative carbon and sulfur analysis reported a total bulk carbon and sulfur content of 0.37% and 0.16% respectively. The spatial distribution of the phases was determined by 2D mapping of Raman spectra, while TGA showed a very low weight loss for temperatures ranging between 25 and 1000 °C. Individual fly ash particles were characterized by a monomodal size distribution (PSD) of spherical particles with smooth surfaces (SEM, TEM, AFM), and a mean particle size of 4.6 μm (PSD). The BET active surface area of this sample was 1.52 m2/g and the chemical composition of the fly ash surface (AES, XPS) was significantly different from the bulk composition and varied considerably between spheres. Many properties of the sample (e.g. spherical morphology, small particle size, thermal stability) appeared

  12. Surface plasmon enhancement of photon extraction efficiency by silver nanoparticles: with applications in laser cooling of semiconductors

    NASA Astrophysics Data System (ADS)

    Hassani Nia, Iman; Memis, O. G.; Kohoutek, John; Gelfand, Ryan M.; Mohseni, Hooman

    2012-10-01

    Laser cooling of materials has been one of the important topics of photonic research during recent years. This is due to the compactness, lack of vibration, and integratibility of this method. Although laser refrigeration has been achieved in rare earth doped glass, no net cooling of semiconductors has been observed yet. The main challenge in this regard is the photon trapping inside the semiconductors, due to its high refractive index, which prevents the extraction of the energy from the material. Various methods have been proposed to overcome photon trapping but they are either not feasible or introduce surface defects. Surface defects increase the surface recombination which absorbs some portion of the photoluminescence and converts it to heat. We exploit the surface plasmons produced in silver nanoparticles to scatter the PL and make the extraction efficiency significantly higher without increasing the surface recombination. This is also important in the semiconductor lighting industry and also for enhancing the performance of solar cells by coupling the sunlight into the higher index absorbing region. Finite difference time domain simulations were used to find the total power extraction efficiency of the silver nanoparticles. It is also proposed for the first time to use the silver nanoparticles as mask for dry etching. The results for both etched and unetched cases were compared with each other. We also refer to a method of silver nanoparticle fabrication which is easy to apply to all kinds of cooling targets and is relatively cheaper than deposition of complex anti-reflective coatings.

  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. A Combined FTIR and TPD Study on the Bulk and Surface Dehydroxylation and Decarbonation of Synthetic Goethite

    SciTech Connect

    Boily, Jean F; Szanyi, Janos; Felmy, Andrew R

    2006-08-01

    The thermal dehydroxylation of a goethite–carbonate solid solution was studied with combined Fourier-transform infrared (FTIR) – Temperature programmed desorption (TPD) experiments. The TPD data revealed dehydroxylation peaks involving the intrinsic dehydroxylation of goethite at 560 K and a low temperature peak at 485 K which was shown to be associated to the release of non-stoichiometric water from the goethite bulk and surface. The FTIR and the TPD data of goethite in the absence of adsorbed carbonate species revealed the presence of adventitious carbonate mostly sequestered in the goethite bulk. The release of carbonate was however not only related to the dehydration of goethite but also from the crystallization of hematite at temperatures exceeding 600 K. The relative abundance of surface hydroxyls was shown to change systematically upon goethite dehydroxylation with a preferential stripping of singlycoordinated AOH sites followed by a dramatic change in the dominance of the different surface hydroxyls upon the formation of hematite.

  15. Configuration of a polymer chain in bulk and close to surfaces near the coil-to-globule transition

    NASA Astrophysics Data System (ADS)

    Rissanou, Anastassia N.; Bitsanis, Ioannis A.; Anastasiadis, Spiros H.

    2003-03-01

    The coil to globule transition of polymer chains in bulk solution or attached onto a surface is investigated using Monte Carlo simulations on a cubic lattice as a function of MW, solvent quality and interfacial energy. Monte Carlo results for an isolated chain in bulk solution show an anomalous dependence of RG on the MW as the solvent becomes poorer: it exhibits a N-independent regime for intermediate MWs where there is a qualitative change in the form of the density distribution in the inner part of the chain. The coil to globule transition is in accord with Khokhlov's theoretical predictions. The coupling between the coil to globule transition and the adsorption of the chain onto attractive surfaces is investigated as a function of the surface energy. The adsorbed chain in poor solvent tends to a pancake-like conformation for very attractive surfaces. The whole behavior is not controlled by the bulk Θ temperature but by a new temperature Θ^', which depends strongly on the surface energy and tends to the value of the Θ temperature in two-dimensions.

  16. High-Efficiency Photovoltaic Energy Conversion using Surface Acoustic Waves in Piezoelectric Semiconductors

    NASA Astrophysics Data System (ADS)

    Yakovenko, Victor

    2010-03-01

    We propose a radically new design for photovoltaic energy conversion using surface acoustic waves (SAWs) in piezoelectric semiconductors. The periodically modulated electric field from SAW spatially separates photogenerated electrons and holes to the maxima and minima of SAW, thus preventing their recombination. The segregated electrons and holes are transported by the moving SAW to the collecting electrodes of two types, which produce dc electric output. Recent experiments [1] using SAWs in GaAs have demonstrated the photon to current conversion efficiency of 85%. These experiments were designed for photon counting, but we propose to adapt these techniques for highly efficient photovoltaic energy conversion. The advantages are that the electron-hole segregation takes place in the whole volume where SAW is present, and the electrons and holes are transported in the organized, collective manner at high speed, as opposed to random diffusion in conventional devices.[4pt] [1] S. J. Jiao, P. D. Batista, K. Biermann, R. Hey, and P. V. Santos, J. Appl. Phys. 106, 053708 (2009).

  17. Magnetic order in a frustrated two-dimensional atom lattice at a semiconductor surface

    NASA Astrophysics Data System (ADS)

    Li, Gang; Höpfner, Philipp; Schäfer, Jörg; Blumenstein, Christian; Meyer, Sebastian; Bostwick, Aaron; Rotenberg, Eli; Claessen, Ralph; Hanke, Werner

    2013-03-01

    Two-dimensional electron systems, as exploited for device applications, can lose their conducting properties because of local Coulomb repulsion, leading to a Mott-insulating state. In triangular geometries, any concomitant antiferromagnetic spin ordering can be prevented by geometric frustration, spurring speculations about ‘melted’ phases, known as spin liquid. Here we show that for a realization of a triangular electron system by epitaxial atom adsorption on a semiconductor, such spin disorder, however, does not appear. Our study compares the electron excitation spectra obtained from theoretical simulations of the correlated electron lattice with data from high-resolution photoemission. We find that an unusual row-wise antiferromagnetic spin alignment occurs that is reflected in the photoemission spectra as characteristic ‘shadow bands’ induced by the spin pattern. The magnetic order in a frustrated lattice of otherwise non-magnetic components emerges from longer-range electron hopping between the atoms. This finding can offer new ways of controlling magnetism on surfaces.

  18. Boron-doped diamond semiconductor electrodes: Efficient photoelectrochemical CO2 reduction through surface modification

    NASA Astrophysics Data System (ADS)

    Roy, Nitish; Hirano, Yuiri; Kuriyama, Haruo; Sudhagar, Pitchaimuthu; Suzuki, Norihiro; Katsumata, Ken-Ichi; Nakata, Kazuya; Kondo, Takeshi; Yuasa, Makoto; Serizawa, Izumi; Takayama, Tomoaki; Kudo, Akihiko; Fujishima, Akira; Terashima, Chiaki

    2016-11-01

    Competitive hydrogen evolution and multiple proton-coupled electron transfer reactions limit photoelectrochemical CO2 reduction in aqueous electrolyte. Here, oxygen-terminated lightly boron-doped diamond (BDDL) thin films were synthesized as a semiconductor electron source to accelerate CO2 reduction. However, BDDL alone could not stabilize the intermediates of CO2 reduction, yielding a negligible amount of reduction products. Silver nanoparticles were then deposited on BDDL because of their selective electrochemical CO2 reduction ability. Excellent selectivity (estimated CO:H2 mass ratio of 318:1) and recyclability (stable for five cycles of 3 h each) for photoelectrochemical CO2 reduction were obtained for the optimum silver nanoparticle-modified BDDL electrode at ‑1.1 V vs. RHE under 222-nm irradiation. The high efficiency and stability of this catalyst are ascribed to the in situ photoactivation of the BDDL surface during the photoelectrochemical reaction. The present work reveals the potential of BDDL as a high-energy electron source for use with co-catalysts in photochemical conversion.

  19. Boron-doped diamond semiconductor electrodes: Efficient photoelectrochemical CO2 reduction through surface modification

    PubMed Central

    Roy, Nitish; Hirano, Yuiri; Kuriyama, Haruo; Sudhagar, Pitchaimuthu; Suzuki, Norihiro; Katsumata, Ken-ichi; Nakata, Kazuya; Kondo, Takeshi; Yuasa, Makoto; Serizawa, Izumi; Takayama, Tomoaki; Kudo, Akihiko; Fujishima, Akira; Terashima, Chiaki

    2016-01-01

    Competitive hydrogen evolution and multiple proton-coupled electron transfer reactions limit photoelectrochemical CO2 reduction in aqueous electrolyte. Here, oxygen-terminated lightly boron-doped diamond (BDDL) thin films were synthesized as a semiconductor electron source to accelerate CO2 reduction. However, BDDL alone could not stabilize the intermediates of CO2 reduction, yielding a negligible amount of reduction products. Silver nanoparticles were then deposited on BDDL because of their selective electrochemical CO2 reduction ability. Excellent selectivity (estimated CO:H2 mass ratio of 318:1) and recyclability (stable for five cycles of 3 h each) for photoelectrochemical CO2 reduction were obtained for the optimum silver nanoparticle-modified BDDL electrode at −1.1 V vs. RHE under 222-nm irradiation. The high efficiency and stability of this catalyst are ascribed to the in situ photoactivation of the BDDL surface during the photoelectrochemical reaction. The present work reveals the potential of BDDL as a high-energy electron source for use with co-catalysts in photochemical conversion. PMID:27892544

  20. On the early and developed stages of surface condensation: competition mechanism between interfacial and condensate bulk thermal resistances

    NASA Astrophysics Data System (ADS)

    Sun, Jie; Wang, Hua Sheng

    2016-10-01

    We use molecular dynamics simulation to investigate the early and developed stages of surface condensation. We find that the liquid-vapor and solid-liquid interfacial thermal resistances depend on the properties of solid and fluid, which are time-independent, while the condensate bulk thermal resistance depends on the condensate thickness, which is time-dependent. There exists intrinsic competition between the interfacial and condensate bulk thermal resistances in timeline and the resultant total thermal resistance determines the condensation intensity for a given vapor-solid temperature difference. We reveal the competition mechanism that the interfacial thermal resistance dominates at the onset of condensation and holds afterwards while the condensate bulk thermal resistance gradually takes over with condensate thickness growing. The weaker the solid-liquid bonding, the later the takeover occurs. This competition mechanism suggests that only when the condensate bulk thermal resistance is reduced after it takes over the domination can the condensation be effectively intensified. We propose a unified theoretical model for the thermal resistance analysis by making dropwise condensation equivalent to filmwise condensation. We further find that near a critical point (contact angle being ca. 153°) the bulk thermal resistance has the least opportunity to take over the domination while away from it the probability increases.

  1. On the early and developed stages of surface condensation: competition mechanism between interfacial and condensate bulk thermal resistances.

    PubMed

    Sun, Jie; Wang, Hua Sheng

    2016-10-10

    We use molecular dynamics simulation to investigate the early and developed stages of surface condensation. We find that the liquid-vapor and solid-liquid interfacial thermal resistances depend on the properties of solid and fluid, which are time-independent, while the condensate bulk thermal resistance depends on the condensate thickness, which is time-dependent. There exists intrinsic competition between the interfacial and condensate bulk thermal resistances in timeline and the resultant total thermal resistance determines the condensation intensity for a given vapor-solid temperature difference. We reveal the competition mechanism that the interfacial thermal resistance dominates at the onset of condensation and holds afterwards while the condensate bulk thermal resistance gradually takes over with condensate thickness growing. The weaker the solid-liquid bonding, the later the takeover occurs. This competition mechanism suggests that only when the condensate bulk thermal resistance is reduced after it takes over the domination can the condensation be effectively intensified. We propose a unified theoretical model for the thermal resistance analysis by making dropwise condensation equivalent to filmwise condensation. We further find that near a critical point (contact angle being ca. 153°) the bulk thermal resistance has the least opportunity to take over the domination while away from it the probability increases.

  2. Quantum and Classical Magnetoresistance in Ambipolar Topological Insulator Transistors with Gate-tunable Bulk and Surface Conduction

    PubMed Central

    Tian, Jifa; Chang, Cuizu; Cao, Helin; He, Ke; Ma, Xucun; Xue, Qikun; Chen, Yong P.

    2014-01-01

    Weak antilocalization (WAL) and linear magnetoresistance (LMR) are two most commonly observed magnetoresistance (MR) phenomena in topological insulators (TIs) and often attributed to the Dirac topological surface states (TSS). However, ambiguities exist because these phenomena could also come from bulk states (often carrying significant conduction in many TIs) and are observable even in non-TI materials. Here, we demonstrate back-gated ambipolar TI field-effect transistors in (Bi0.04Sb0.96)2Te3 thin films grown by molecular beam epitaxy on SrTiO3(111), exhibiting a large carrier density tunability (by nearly 2 orders of magnitude) and a metal-insulator transition in the bulk (allowing switching off the bulk conduction). Tuning the Fermi level from bulk band to TSS strongly enhances both the WAL (increasing the number of quantum coherent channels from one to peak around two) and LMR (increasing its slope by up to 10 times). The SS-enhanced LMR is accompanied by a strongly nonlinear Hall effect, suggesting important roles of charge inhomogeneity (and a related classical LMR), although existing models of LMR cannot capture all aspects of our data. Our systematic gate and temperature dependent magnetotransport studies provide deeper insights into the nature of both MR phenomena and reveal differences between bulk and TSS transport in TI related materials. PMID:24810663

  3. On the early and developed stages of surface condensation: competition mechanism between interfacial and condensate bulk thermal resistances

    PubMed Central

    Sun, Jie; Wang, Hua Sheng

    2016-01-01

    We use molecular dynamics simulation to investigate the early and developed stages of surface condensation. We find that the liquid-vapor and solid-liquid interfacial thermal resistances depend on the properties of solid and fluid, which are time-independent, while the condensate bulk thermal resistance depends on the condensate thickness, which is time-dependent. There exists intrinsic competition between the interfacial and condensate bulk thermal resistances in timeline and the resultant total thermal resistance determines the condensation intensity for a given vapor-solid temperature difference. We reveal the competition mechanism that the interfacial thermal resistance dominates at the onset of condensation and holds afterwards while the condensate bulk thermal resistance gradually takes over with condensate thickness growing. The weaker the solid-liquid bonding, the later the takeover occurs. This competition mechanism suggests that only when the condensate bulk thermal resistance is reduced after it takes over the domination can the condensation be effectively intensified. We propose a unified theoretical model for the thermal resistance analysis by making dropwise condensation equivalent to filmwise condensation. We further find that near a critical point (contact angle being ca. 153°) the bulk thermal resistance has the least opportunity to take over the domination while away from it the probability increases. PMID:27721397

  4. ARPES view on surface and bulk hybridization phenomena in the antiferromagnetic Kondo lattice CeRh2Si2

    PubMed Central

    Patil, S.; Generalov, A.; Güttler, M.; Kushwaha, P.; Chikina, A.; Kummer, K.; Rödel, T. C.; Santander-Syro, A. F.; Caroca-Canales, N.; Geibel, C.; Danzenbächer, S.; Kucherenko, Yu.; Laubschat, C.; Allen, J. W.; Vyalikh, D. V.

    2016-01-01

    The hybridization between localized 4f electrons and itinerant electrons in rare-earth-based materials gives rise to their exotic properties like valence fluctuations, Kondo behaviour, heavy-fermions, or unconventional superconductivity. Here we present an angle-resolved photoemission spectroscopy (ARPES) study of the Kondo lattice antiferromagnet CeRh2Si2, where the surface and bulk Ce-4f spectral responses were clearly resolved. The pronounced 4f 0 peak seen for the Ce terminated surface gets strongly suppressed in the bulk Ce-4f spectra taken from a Si-terminated crystal due to much larger f-d hybridization. Most interestingly, the bulk Ce-4f spectra reveal a fine structure near the Fermi edge reflecting the crystal electric field splitting of the bulk magnetic 4f 15/2 state. This structure presents a clear dispersion upon crossing valence states, providing direct evidence of f-d hybridization. Our findings give precise insight into f-d hybridization penomena and highlight their importance in the antiferromagnetic phases of Kondo lattices. PMID:26987899

  5. Strong coupling and coherence in disordered semiconductors coupled to surface plasmons (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Bellessa, Joël.; Symonds, Clementine; aberra-guebrou, Samuel

    2016-09-01

    Localized and delocalized plasmons in metallic nanoparticles are associated with a strongly confined electromagnetic field, inducing an enhanced interaction with emitters located in the close environment of the metal. When the plasmon/emitter interaction becomes predominant compared to the damping in the system, the system is in strong coupling regime leading to light matter hybridization. This strong coupling has been observed with a large number of materials, in particular disordered materials. These materials are constituted by a collection of independent emitters (molecules, semiconductor quantum dots...). The hybrid light/matter state can be described by considering a homogeneous absorbing system using coupled oscillator model. But if the microscopic structure of the molecular film close to a metallic film is considered, collective effects between the delocalized plasmon and the set of molecules are present. The spatial and dynamic properties of a set of molecules in strong coupling are dramatically modified compared to the same molecules in weak coupling (the usual configuration of emission). The excitations are not localised in a single particle anymore but delocalised on a large number of particles due to the formation of an extended hybridised state on several microns. We will describe some properties of disordered systems strongly coupled to surface plasmons and experimental demonstrations of the collective phenomena associated with the strong coupling. In particular we will present an experimental study of the coherent character of the emission of different emitters with a Young's interferences setup. The system studied consists of J-aggregated dye (TDBC) in interaction with a surface plasmon on silver. The extension of the coherent state will also be discussed.

  6. Topological surface states interacting with bulk excitations in the Kondo insulator SmB6 revealed via planar tunneling spectroscopy

    PubMed Central

    Park, Wan Kyu; Sun, Lunan; Noddings, Alexander; Kim, Dae-Jeong; Fisk, Zachary; Greene, Laura H.

    2016-01-01

    Samarium hexaboride (SmB6), a well-known Kondo insulator in which the insulating bulk arises from strong electron correlations, has recently attracted great attention owing to increasing evidence for its topological nature, thereby harboring protected surface states. However, corroborative spectroscopic evidence is still lacking, unlike in the weakly correlated counterparts, including Bi2Se3. Here, we report results from planar tunneling that unveil the detailed spectroscopic properties of SmB6. The tunneling conductance obtained on the (001) and (011) single crystal surfaces reveals linear density of states as expected for two and one Dirac cone(s), respectively. Quite remarkably, it is found that these topological states are not protected completely within the bulk hybridization gap. A phenomenological model of the tunneling process invoking interaction of the surface states with bulk excitations (spin excitons), as predicted by a recent theory, provides a consistent explanation for all of the observed features. Our spectroscopic study supports and explains the proposed picture of the incompletely protected surface states in this topological Kondo insulator SmB6. PMID:27233936

  7. First Principles Calculations on the Diffusion of Cu, Ag and Au Atoms or Aggregates on the Bulk and Surface of Titania

    DTIC Science & Technology

    2011-04-01

    AFRL-AFOSR-UK-TR-2011-0002 First Principles Calculations on the Diffusion of Cu, Ag and Au Atoms or Aggregates on the Bulk and...SUBTITLE First Principles Calculations on the Diffusion of Cu, Ag and Au Atoms or Aggregates on the Bulk and Surface of Titania 5a. CONTRACT...093072 Final report First principles calculations on the diffusion of Cu, Ag and Au atoms or aggregates on the bulk and surface of titania List

  8. Shallow Subsurface Soil Moisture Dynamics in the Root-Zone and Bulk Soil of Sparsely Vegetated Land Surfaces as Impacted by Near-Surface Atmospheric State

    NASA Astrophysics Data System (ADS)

    Trautz, A.; Illangasekare, T. H.; Tilton, N.

    2015-12-01

    Soil moisture is a fundamental state variable that provides the water necessary for plant growth and evapotranspiration. Soil moisture has been extensively studied in the context of bare surface soils and root zones. Less attention has focused on the effects of sparse vegetation distributions, such as those typical of agricultural cropland and other natural surface environments, on soil moisture dynamics. The current study explores root zone, bulk soil, and near-surface atmosphere interactions in terms of soil moisture under different distributions of sparse vegetation using multi-scale laboratory experimentation and numerical simulation. This research is driven by the need to advance our fundamental understanding of soil moisture dynamics in the context of improving water conservation and next generation heat and mass transfer numerical models. Experimentation is performed in a two-dimensional 7.3 m long intermediate scale soil tank interfaced with a climate-controlled wind tunnel, both of which are outfitted with current sensor technologies for measuring atmospheric and soil variables. The soil tank is packed so that a sparsely vegetated soil is surrounded by bulk bare soil; the two regions are separated by porous membranes to isolate the root zone from the bulk soil. Results show that in the absence of vegetation, evaporation rates vary along the soil tank in response to longitudinal changes in humidity; soil dries fastest upstream where evaporation rates are highest. In the presence of vegetation, soil moisture in the bulk soil closest to a vegetated region decreases more rapidly than the bulk soil farther away. Evapotranspiration rates in this region are also higher than the bulk soil region. This study is the first step towards the development of more generalized models that account for non-uniformly distributed vegetation and land surfaces exhibiting micro-topology.

  9. Millimeter wave surface resistance of grain-aligned Y1Ba2Cu3O(x) bulk material

    NASA Technical Reports Server (NTRS)

    Wosik, J.; Kranenburg, R. A.; Wolfe, J. C.; Selvamanickam, V.; Salama, K.

    1990-01-01

    Measurements are reported of the millimeter-wave surface resistance of grain-aligned YBa2Cu3O(x) bulk material grown by a liquid-phase process. The measurements were performed by replacing the endplate of a TE(011) cylindrical copper cavity with the superconducting sample. Surface resistance was measured for samples with surfaces oriented perpendicular and parallel to the c-axis of the grains. For the parallel configuration, the surface resistance at 77 K and 80 GHz is given. For a very well-aligned sample with a very low density of Y2BaCuO(y) precipitates, measured in the perpendicular configuration, the transition width (10-90 percent) is about 2 K and the surface resistance is derived at 88 K. The effect of microstructure on surface resistance is discussed.

  10. Millimeter wave surface resistance of grain-aligned Y1Ba2Cu3O(x) bulk material

    NASA Technical Reports Server (NTRS)

    Wosik, J.; Kranenburg, R. A.; Wolfe, J. C.; Selvamanickam, V.; Salama, K.

    1991-01-01

    Measurements of the millimeter wave surface resistance of grain-aligned YBa2Cu3O(x) bulk material grown by a liquid phase process are reported. The measurements were performed by replacing the endplate of a TE011 cylindrical copper cavity with the superconducting sample. Surface resistance was measured for samples with surfaces oriented perpendicular and parallel to the c-axis of the grains. It is shown that, for the parallel configuration, the surface resistance at 77 K and 80 GHz is typically near 100 milliohms. For a very well-aligned sample with a very low density of Y2BaCuO(y) precipitates, measured in the perpendicular configuration, the transition width (10-90 percent) is about 2 K, and the surface resistance is less than 50 milliohms at 88 K. The effect of microstructure on surface resistance is discussed.

  11. Experimental observation of signature changes in bulk soil electrical conductivity in response to engineered surface CO2 leakage

    SciTech Connect

    Zhou X.; Wielopolski L.; Lakkaraju, V. R.; Apple, M.; Dobeck, L. M.; Gullickson, K.; Shaw, J. A.; Cunningham, A. B.; Spangler, L. H.

    2012-03-01

    Experimental observations of signature changes of bulk soil electrical conductivity (EC) due to CO{sub 2} leakage were carried out at a field site at Bozeman, Montana, to investigate the change of soil geophysical properties in response to possible leakage of geologically sequestered CO{sub 2}. The dynamic evolution of bulk soil EC was measured during an engineered surface leakage of CO{sub 2} through in situ continuous monitoring of bulk soil EC, soil moisture, soil temperature, rainfall rate, and soil CO{sub 2} concentration to investigate the response of soil bulk EC signature to CO{sub 2} leakage. Observations show that: (1) high soil CO{sub 2} concentration due to CO{sub 2} leakage enhances the dependence of bulk soil EC on soil moisture. The bulk soil EC is a linear multivariate function of soil moisture and soil temperature, the coefficient for soil moisture increased from 2.111 dS for the non-leaking phase to 4.589 dS for the CO{sub 2} leaking phase; and the coefficient for temperature increased from 0.003 dS/C for the non-leaking phase to 0.008 dS/C for the CO{sub 2} leaking phase. The dependence of bulk soil EC on soil temperature is generally weak, but leaked CO{sub 2} enhances the dependence, (2) after the CO{sub 2} release, the relationship between soil bulk EC and soil CO{sub 2} concentration observes three distinct CO{sub 2} decay modes. Rainfall events result in sudden changes of soil moisture and are believed to be the driving forcing for these decay modes, and (3) within each mode, increasing soil CO{sub 2} concentration results in higher bulk soil EC. Comparing the first 2 decay modes, it is found that the dependence of soil EC on soil CO{sub 2} concentration is weaker for the first decay mode than the second decay mode.

  12. Defects and alloying in semiconductors: Computational studies of clusters and surfaces

    NASA Astrophysics Data System (ADS)

    Maddox, Willie Burton, IV

    This thesis addresses two main systems that are important in the lore of energy efficient nanomaterials, titanium dioxide and group IV alloy nanoclusters. Titanium dioxide, widely used in heterogeneous catalysis, photocatalysis, solar cells, or gas sensors, has become the prototype material for studying the reactivity of metal-oxide surfaces. Defects such as oxygen vacancies are always present on rutile surfaces and, depending on their coverage and spatial distribution, can strongly influence the reactivity of the surface. The interactions between vacancies determine their spatial distribution on the surface. Highly reactive vacancy clusters or pairs have not been expected to form because of vacancy repulsions, but recent experiments do show the possibility of spontaneously formed oxygen vacancy pairs. In this thesis, The interaction between oxygen vacancies is studied, as well as their electronic properties and scanning tunneling microscopy signature. The second thrust of the thesis concerns group IV nanomaterials, which are important semiconductors for photovoltaic applications due to their relative abundance and nontoxicity. Alloy nanoclusters, specifically germanium-tin (GeSn) nanoclusters show great promise for achieving higher photoconversion efficiencies since the band gap can be tuned by adjusting the Ge/Sn ratio. To accurately model alloy nanoclusters one must first verify that the physical properties of the constituent nanoclusters are described correctly. As these nanoclusters are composed of thousands to hundreds of thousands of atoms, we employ molecular dynamics (MD) simulations which are capable of calculating properties for large systems in reasonable timeframes. In MD simulations, atomic interactions are described using empirical potentials. The well-known Tersoff potential has proven to describe well the properties of group IV elements up to Ge. As Sn is also a group IV element, we have extended this potential to include parameters for Sn by

  13. Improving the Accuracy of Satellite Sea Surface Temperature Measurements by Explicitly Accounting for the Bulk-Skin Temperature Difference

    NASA Technical Reports Server (NTRS)

    Castro, Sandra L.; Emery, William J.

    2002-01-01

    The focus of this research was to determine whether the accuracy of satellite measurements of sea surface temperature (SST) could be improved by explicitly accounting for the complex temperature gradients at the surface of the ocean associated with the cool skin and diurnal warm layers. To achieve this goal, work centered on the development and deployment of low-cost infrared radiometers to enable the direct validation of satellite measurements of skin temperature. During this one year grant, design and construction of an improved infrared radiometer was completed and testing was initiated. In addition, development of an improved parametric model for the bulk-skin temperature difference was completed using data from the previous version of the radiometer. This model will comprise a key component of an improved procedure for estimating the bulk SST from satellites. The results comprised a significant portion of the Ph.D. thesis completed by one graduate student and they are currently being converted into a journal publication.

  14. Fundamental Bulk/Surface Structure Photoactivity Relationships of Supported (Rh2-yCryO3)/GaN Photocatalysts

    SciTech Connect

    Phivilay, Somphonh; Roberts, Charles; Puretzky, Alexander A; Domen, Kazunari Domen; Wachs, Israel

    2013-01-01

    ABSTRACT. The supported (Rh2-yCryO3)/GaN photocatalyst was examined as a model nitride photocatalyst system to assist in the development of fundamental structure photoactivity relationships for UV activated water splitting. Surface characterization of the outermost surface layers by High Sensitivity-LEIS and High Resolution-XPS revealed for the first time that the GaN support consists of a GaOx outermost surface layer and a thin film of GaOxNy in the surface region. HR-XPS also demonstrates that the supported (Rh2-yCryO3) mixed oxide nanoparticles (NPs) exclusively consist of Cr+3 and Rh+3 cations and are surface enriched for the supported (Rh2-yCryO3)/GaN photocatalyst. Bulk analysis by Raman and UV-vis spectroscopy show that the bulk molecular and electronic structures, respectively, of the GaN support are not perturbed by the deposition of the (Rh2-yCryO3) mixed oxide NPs. The function of the GaN bulk lattice is to generate photoexcited electrons/holes, with the electrons harnessed by the surface Rh+3 sites for evolution of H2 and the holes trapped at the Ga oxide/oxynitride surface sites for splitting of water and evolving O2. These new structure-photoactivity relationships for supported (Rh2-yCryO3)/GaN also extend to the best performing visible light activated supported (Rh2-yCryO3)/(Ga1-xZnx)(N1-xOx) photocatalyst.

  15. 40 CFR 761.265 - Sampling bulk PCB remediation waste and porous surfaces.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Sampling bulk PCB remediation waste... (CONTINUED) TOXIC SUBSTANCES CONTROL ACT POLYCHLORINATED BIPHENYLS (PCBs) MANUFACTURING, PROCESSING, DISTRIBUTION IN COMMERCE, AND USE PROHIBITIONS Cleanup Site Characterization Sampling for PCB Remediation...

  16. 40 CFR 761.265 - Sampling bulk PCB remediation waste and porous surfaces.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Sampling bulk PCB remediation waste... (CONTINUED) TOXIC SUBSTANCES CONTROL ACT POLYCHLORINATED BIPHENYLS (PCBs) MANUFACTURING, PROCESSING, DISTRIBUTION IN COMMERCE, AND USE PROHIBITIONS Cleanup Site Characterization Sampling for PCB Remediation...

  17. 40 CFR 761.265 - Sampling bulk PCB remediation waste and porous surfaces.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Sampling bulk PCB remediation waste... (CONTINUED) TOXIC SUBSTANCES CONTROL ACT POLYCHLORINATED BIPHENYLS (PCBs) MANUFACTURING, PROCESSING, DISTRIBUTION IN COMMERCE, AND USE PROHIBITIONS Cleanup Site Characterization Sampling for PCB Remediation...

  18. 40 CFR 761.265 - Sampling bulk PCB remediation waste and porous surfaces.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Sampling bulk PCB remediation waste... (CONTINUED) TOXIC SUBSTANCES CONTROL ACT POLYCHLORINATED BIPHENYLS (PCBs) MANUFACTURING, PROCESSING, DISTRIBUTION IN COMMERCE, AND USE PROHIBITIONS Cleanup Site Characterization Sampling for PCB Remediation...

  19. Recombinant mussel adhesive protein fp-5 (MAP fp-5) as a bulk bioadhesive and surface coating material.

    PubMed

    Choi, Yoo Seong; Kang, Dong Gyun; Lim, Seonghye; Yang, Yun Jung; Kim, Chang Sup; Cha, Hyung Joon

    2011-08-01

    Mussel adhesive proteins (MAPs) attach to all types of inorganic and organic surfaces, even in wet environments. MAP of type 5 (fp-5), in particular, has been considered as a key adhesive material. However, the low availability of fp-5 has hampered its biochemical characterization and practical applications. Here, soluble recombinant fp-5 is mass-produced in Escherichia coli. Tyrosinase-modified recombinant fp-5 showed ∼1.11 MPa adhesive shear strength, which is the first report of a bulk-scale adhesive force measurement for purified recombinant of natural MAP type. Surface coatings were also performed through simple dip-coating of various objects. In addition, complex coacervate using recombinant fp-5 and hyaluronic acid was prepared as an efficient adhesive formulation, which greatly improved the bulk adhesive strength. Collectively, it is expected that this work will enhance basic understanding of mussel adhesion and that recombinant fp-5 can be successfully used as a realistic bulk-scale bioadhesive and an efficient surface coating material.

  20. Surface reconstructions and morphology of indium gallium arsenide compound semiconductor alloys

    NASA Astrophysics Data System (ADS)

    Riposan, Alexandru

    Lattice-matched In0.53Ga0.47As/InP(001) and compressively strained In0.27Ga0.73As/GaAs(001) and In0.81Ga 0.19As/InP(001) compound semiconductor layers were grown by molecular beam epitaxy (MBE) and analyzed by in-situ scanning tunneling microscopy (STM) and ex-situ atomic force microscopy (AFM). Regular (4x3) and irregular (nx3) alloy reconstructions were observed at all compositions. In addition, the strained surfaces contain alpha2(2x4) and beta2(2x4) reconstructions at the lower and higher In compositions, respectively. New models were proposed for the (4x3) reconstruction, which are consistent with the experimental results and obey the electron counting rule. In these models, the (4x3) reconstruction is As-rich, but contains As-metal heterodimers, in addition to As dimers and metal dimers. These models can also be used to compose disordered (nx3) surfaces while still obeying the electron counting rule. The experiments suggest that the (2x4) reconstructions are favored by compressive misfit strain and are enriched in In compared with the (4x3)/(nx3) reconstructions. At moderate misfit strains and temperatures, the critical film thickness for three-dimensional (3D) growth is increased by increasing the As overpressure during film deposition. This effect provides an additional method to control the transition to 3D growth and has applications in device fabrication. Large 3D islands form during the annealing of planar pseudomorphic In 0.27Ga0.73As/GaAs films, and later disappear with continuing annealing. These islands are different from those formed during film deposition. The formation of these features is strain-driven, while their dissolution is triggered by In desorption. A step instability was also observed during annealing at this composition, consisting in the cusping of step edges and the formation of surface pits and step bunches. The driving force for this instability is likely the creation of new step line due to the compressive strain, through step

  1. Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity

    PubMed Central

    van der Post, Sietse T.; Hsieh, Cho-Shuen; Okuno, Masanari; Nagata, Yuki; Bakker, Huib J.; Bonn, Mischa; Hunger, Johannes

    2015-01-01

    Because of strong hydrogen bonding in liquid water, intermolecular interactions between water molecules are highly delocalized. Previous two-dimensional infrared spectroscopy experiments have indicated that this delocalization smears out the structural heterogeneity of neat H2O. Here we report on a systematic investigation of the ultrafast vibrational relaxation of bulk and interfacial water using time-resolved infrared and sum-frequency generation spectroscopies. These experiments reveal a remarkably strong dependence of the vibrational relaxation time on the frequency of the OH stretching vibration of liquid water in the bulk and at the air/water interface. For bulk water, the vibrational relaxation time increases continuously from 250 to 550 fs when the frequency is increased from 3,100 to 3,700 cm−1. For hydrogen-bonded water at the air/water interface, the frequency dependence is even stronger. These results directly demonstrate that liquid water possesses substantial structural heterogeneity, both in the bulk and at the surface. PMID:26382651

  2. A bulk similarity approach in the atmospheric boundary layer using radiometric skin temperature to determine regional surface fluxes

    NASA Technical Reports Server (NTRS)

    Brutsaert, Wilfried; Sugita, Michiaki

    1991-01-01

    Profiles of wind velocity and temperature in the outer region of the atmospheric boundary layer (ABL) were used together with surface temperature measurements, to determine regional shear stress and sensible heat flux by means of transfer parameterizations on the basis of bulk similarity. The profiles were measured by means of radiosondes and the surface temperatures by infrared radiation thermometry over hilly prairie terrain in northeastern Kansas during the First ISLSCP Field Experiment (FIFE). In the analysis, the needed similarity functions were determined and tested.

  3. On a chaotic potential at the surface of a compensated semiconductor under conditions of the self-assembly of electrically active defects

    SciTech Connect

    Bondarenko, V. B. Filimonov, A. V.

    2015-09-15

    Natural irregularities of the electric potential on the surface of a semiconductor under conditions of the partial self-assembly of electrically active defects, i.e., on the formation of donor–acceptor pairs in depletion layers, are studied. The amplitude and character of the spatial distribution of the chaotic potential on the surface of a semiconductor in the cases of localized and delocalized states are determined. The dependence of the amplitude of the chaotic potential on the degree of compensation of the semiconductor is obtained.

  4. On the surface characteristics of a Zr-based bulk metallic glass processed by microelectrical discharge machining

    NASA Astrophysics Data System (ADS)

    Huang, Hu; Yan, Jiwang

    2015-11-01

    Microelectrical discharge machining (micro-EDM) performance of a Zr-based bulk metallic glass was investigated experimentally. Various discharge voltages and capacitances were used to study their effects on the material removal rate, cross-sectional profile, surface morphology and roughness, carbonization, and crystallization. Experimental results indicated that many randomly overlapped craters were formed on the EDMed surfaces, and their size and distribution were strongly dependent of the applied voltage and capacitance as well as their positions (center region or outer region), which further affected the surface roughness. Raman spectra and energy dispersive X-ray spectroscopy demonstrated that amorphous carbons originating from the decomposition of the EDM oil were deposited on the EDMed surface. Although some small sharp peaks appeared in the X-ray diffraction patterns of the micro-EDMed surfaces, a broad hump was maintained in all patterns, suggesting a dominant amorphous characteristic. Furthermore, crystallization was also affected by experimental conditions and machining positions. Results in this study indicate that micro-EDM under low discharge energy is useful for fabricating bulk metallic glass microstructures or components because of the ability to retain an amorphous structure.

  5. Bulk and surface half-metallicity: The case of D0{sub 3}-type Mn{sub 3}Ge

    SciTech Connect

    Liu, Hao; Gao, G. Y. Hu, Lei; Ni, Yun; Zu, Fengxia; Zhu, Sicong; Wang, Shuling; Yao, K. L.

    2014-01-21

    Motivated by the experimental realization of D0{sub 22}-type Mn{sub 3}Ge (001) films [Kurt et al. Appl. Phys. Lett. 101, 132410 (2012)] and the structural stability of D0{sub 3}-type Heusler alloy Mn{sub 3}Ge [Zhang et al. J. Phys.: Condens. Matter 25, 206006 (2013)], we use the first-principles calculations based on the full potential linearized augmented plane-wave method to investigate the electronic and magnetic properties of D0{sub 3}-type Heusler alloy Mn{sub 3}Ge and its (001) surface. We show that bulk D0{sub 3}-Mn{sub 3}Ge is a half-metallic ferromagnet with the minority-spin energy gap of 0.52 eV and the magnetic moment of 1.00 μ{sub B} per formula unit. The bulk half-metallicity is preserved at the pure Mn-terminated (001) surface due to the large exchange split, but the MnGe-terminated (001) surface destroys the bulk half-metallicity. We also reveal that the surface stabilities are comparable between the D0{sub 3}-Mn{sub 3}Ge (001) and the experimental D0{sub 22}-Mn{sub 3}Ge (001), which indicates the feasibility to grow the Mn{sub 3}Ge (001) films with D0{sub 3} phase other than D0{sub 22} one. The surface half-metallicity and stability make D0{sub 3}-Mn{sub 3}Ge a promising candidate for spintronic applications.

  6. A study into the role of surface capping on energy transfer in metal cluster-semiconductor nanocomposites

    NASA Astrophysics Data System (ADS)

    Bain, Dipankar; Paramanik, Bipattaran; Sadhu, Suparna; Patra, Amitava

    2015-12-01

    Metal cluster-semiconductor nanocomposite materials remain a frontier area of research for the development of optoelectronic, photovoltaic and light harvesting devices because metal nanoclusters and semiconductor QDs are promising candidates for photon harvesting. Here, we have designed well defined metal cluster-semiconductor nanostructures using different surface capped negatively charged Au25 nanoclusters (Au NCs) and positively charged cysteamine capped CdTe quantum dots using electrostatic interactions. The main focus of this article is to address the impact of surface capping agents on the photophysical properties of Au cluster-CdTe QD hybrid nanocomposites. Steady state and time resolved spectroscopic studies reveal that photoluminescence quenching, radiative and nonradiative rate, and energy transfer between Au nanoclusters and CdTe QDs have been influenced by the nature of the capping agent. We have calculated the energy transfer related parameters such as the overlap integral, distance between donor and acceptor, Förster distance, efficiency of energy transfer and rate of energy transfer from CdTe QDs to three different Au NCs. Photoluminescence quenching varies from 73% to 43% when changing the capping agents from bovine serum albumin (BSA) to glutathione (GSH). The efficiency of the energy transfer from CdTe QDs to BSA-capped Au NCs is found to be 83%, for Cys-capped Au NCs it was 46% and for GSH-capped Au NCs it was 35%. The efficiency depends on the number of Au clusters attached per QD. This reveals that the nature of capping ligands plays a crucial role in the energy transfer phenomena from CdTe QDs to Au NCs. Interesting findings reveal that the efficient energy transfer in metal cluster-semiconductor nanocomposites may open up new possibilities in designing artificial light harvesting systems for future applications.Metal cluster-semiconductor nanocomposite materials remain a frontier area of research for the development of optoelectronic

  7. Soft liquid phase adsorption for fabrication of organic semiconductor films on wettability patterned surfaces.

    PubMed

    Watanabe, Satoshi; Akiyoshi, Yuri; Matsumoto, Mutsuyoshi

    2014-01-01

    We report a soft liquid-phase adsorption (SLPA) technique for the fabrication of organic semiconductor films on wettability-patterned substrates using toluene/water emulsions. Wettability-patterned substrates were obtained by the UV-ozone treatment of self-assembled monolayers of silane coupling agents on glass plates using a metal mask. Organic semiconductor polymer films were formed selectively on the hydrophobic part of the wettability-patterned substrates. The thickness of the films fabricated by the SLPA technique is significantly larger than that of the films fabricated by dip-coating and spin-coating techniques. The film thickness can be controlled by adjusting the volume ratio of toluene to water, immersion angle, immersion temperature, and immersion time. The SLPA technique allows for the direct production of organic semiconductor films on wettability-patterned substrates with minimized material consumption and reduced number of fabrication steps.

  8. Surface and bulk investigation of ZSM5 and Al-MCM-41 usingsynchrotron XPS, XANES, and hexane cracking

    SciTech Connect

    Jalil, P.A.; Kariapper, M.S.; Faiz, Z.; Tabet, N.; Hamdan, N.M.; Diaz, J.; Hussain, Z.

    2005-05-12

    We present a comparative study of ZSM5 and Al-MCM-41 catalysts using spectroscopic and chemical techniques. The analysis of conventional and synchrotron XPS spectra of these catalysts reveals the presence of a topmost surface-related Si peak in addition to the bulk peak. XANES results suggest structural modification upon heating Al-MCM-41 at 500 C. Depth-resolved XPS data show Al depletion from the surface of Al-MCM-41 in contrast to surface enrichment of Al in ZSM5. These surface modifications could be one of the reasons for the weak acidity of Al-MCM-41 in chemical reactions such as hexane cracking at different temperatures.

  9. A study into the role of surface capping on energy transfer in metal cluster-semiconductor nanocomposites.

    PubMed

    Bain, Dipankar; Paramanik, Bipattaran; Sadhu, Suparna; Patra, Amitava

    2015-12-28

    Metal cluster-semiconductor nanocomposite materials remain a frontier area of research for the development of optoelectronic, photovoltaic and light harvesting devices because metal nanoclusters and semiconductor QDs are promising candidates for photon harvesting. Here, we have designed well defined metal cluster-semiconductor nanostructures using different surface capped negatively charged Au25 nanoclusters (Au NCs) and positively charged cysteamine capped CdTe quantum dots using electrostatic interactions. The main focus of this article is to address the impact of surface capping agents on the photophysical properties of Au cluster-CdTe QD hybrid nanocomposites. Steady state and time resolved spectroscopic studies reveal that photoluminescence quenching, radiative and nonradiative rate, and energy transfer between Au nanoclusters and CdTe QDs have been influenced by the nature of the capping agent. We have calculated the energy transfer related parameters such as the overlap integral, distance between donor and acceptor, Förster distance, efficiency of energy transfer and rate of energy transfer from CdTe QDs to three different Au NCs. Photoluminescence quenching varies from 73% to 43% when changing the capping agents from bovine serum albumin (BSA) to glutathione (GSH). The efficiency of the energy transfer from CdTe QDs to BSA-capped Au NCs is found to be 83%, for Cys-capped Au NCs it was 46% and for GSH-capped Au NCs it was 35%. The efficiency depends on the number of Au clusters attached per QD. This reveals that the nature of capping ligands plays a crucial role in the energy transfer phenomena from CdTe QDs to Au NCs. Interesting findings reveal that the efficient energy transfer in metal cluster-semiconductor nanocomposites may open up new possibilities in designing artificial light harvesting systems for future applications.

  10. Tuning optoelectronic properties of small semiconductor nanocrystals through surface ligand chemistry

    NASA Astrophysics Data System (ADS)

    Lawrence, Katie N.

    Semiconductor nanocrystals (SNCs) are a class of material with one dimension <100 nm, which display size, shape, and composition dependent photophysical (absorption and emission) properties. Ultrasmall SNCs are a special class of SNCs whose diameter is <3.0 nm and are strongly quantum confined leading to a high surface to volume ratio. Therefore, their electronic and photophysical properties are fundamentally dictated by their surface chemistry, and as such, even a minute variation of the surface ligation can have a colossal impact on these properties. Since the development of the hot injection-method by Bawendi et al., the synthetic methods of SNCs have evolved from high-temperature, highly toxic precursors to low-temperature, relatively benign precursors over the last 25 years. Unfortunately, optimization of their synthetic methods by appropriate surface ligation is still deficient. The deficiency lies in the incomplete or inappropriate surface passivation during the synthesis and/or post-synthetic modification procedure, which due to the high surface to volume ratio of ultrasmall SNCs, is a significant problem. Currently, direct synthetic methods produce SNCs that are either soluble in an aqueous media or soluble in organic solvents therefore limiting their applicability. In addition, use of insulating ligands hinder SNCs' transport properties and thus their potential application in solid state devices. Appropriate choice of surface ligation can provide 1) solubility, 2) stability, and 3) facilitate exciton delocalization. In this dissertation, the effects of appropriate surface ligation on strongly quantum confined ultrasmall SNCs was investigated. Due to their high surface to volume ratio, we are able to highly control their optical and electronic properties through surface ligand modification. Throughout this dissertation, we utilized a variety of ligands (e.g. oleylamine, cadmium benzoate, and PEGn-thiolate) in order to change the solubility of the SNC as

  11. EPR study of the mobility of paramagnetic species on the surface and in the bulk of solids

    NASA Astrophysics Data System (ADS)

    Dyrek, K.; Adamski, A.; Sojka, Z.

    1998-12-01

    The temperature dependence of EPR spectra provides information on the mobility of paramagnetic species at the gas (liquid)/solid interface and in the bulk of solids. Changes in the environment of molecules on solid surfaces caused by their motion occurring upon thermal treatment at various temperatures are observed. Superoxide radical can migrate from Co(III) to Mg(II) surface sites of the CoO-MgO solid solutions. In aqueous solutions transition metal ions coordinate water molecules, forming aquacomplexes which are usually free to tumble within the liquid medium. Their mobility is, however, strongly modified in the vicinity of the solid surface or inside the narrow pores. In solids the migration of paramagnetic species from the surface into the bulk is controlled by the temperature of thermal treatment. In the case of V 2O 5-ZrO 2 catalyst this process is strongly influenced by the phase transitions occurring in the solid matrix and by the presence of alkali metals.

  12. Nonlinear theory of surface-helical instability of a semiconductor plasma. II. Calculation of linear parameters

    NASA Astrophysics Data System (ADS)

    Karavaev, G. F.; Uspenskii, B. A.; Chuprikov, N. L.

    1980-04-01

    A numerical analysis is made of the threshold characteristics of the helical instability of a semiconductor plasma which fills a half-space; these are the threshold electric field, the threshold frequency of the oscillations, the optimal wave vector, and the optimal angle of propagation of a wave. The characteristic dependences for these quantities are presented and explained qualitatively.

  13. The Surface Structure, Scattering Losses and Schottky Barrier Model of III-V Compound Semiconductors.

    DTIC Science & Technology

    1982-12-21

    30. S. M. Sze, in : PHYSICS OF SEMICONDUCTOR, (2nd Edition, John Willey & Sons, Inc. 1981). 31. A. R. Lubinsky, B. W. Lee, and P. Mark, Phys. Rev...R. J. Meyer, A. Paton, P. Mark, A. Kahn, E. So and J. L. Yeh, J. Vac Sci Technol. 16, 1252 (1979). 4 59. J. Bardeen , Phys; Rev. 71, 717 (1947).. 5

  14. A study on the surface severe plastic deformation behavior of a Zr-based bulk metallic glass (BMG)

    SciTech Connect

    Tian, J.W.; Shaw, L.L.; Wang, Y.D.; Yokoyama, Y.; Liaw, P.K.

    2009-10-14

    A surface treatment process, which can generate the severe plastic deformation in the near-surface layer of crystalline materials, is successfully applied on the Zr{sub 50}Cu{sub 40}Al{sub 10} bulk metallic glass (BMG). The experiment is implemented using 20 WC/Co balls with a velocity of about 5 m/s to bombard the surface of the samples in a purified argon atmosphere. The plastic-flow deformation in the unconstrained sample edge was observed, which exhibits the good intrinsic ductility of this material under the experimental condition. In the sub-surface layer, the bombardment-induced shear-band operations generate the extrusion and intrusion marks on the side face. Differential scanning calorimetry (DSC) shows that the free volumes of the deformed BMG have increased, and possible crystallization may occur during the process. X-ray diffraction (XRD) and synchrotron high-energy X-ray diffraction techniques were used to inspect the possible crystal phase. A nanoindentation test shows that on the side surface, the hardness increases and, then, decreases with the distance from the processed surface. Four-point-bending-fatigue behavior has been studied and related to the modified surface structure and the compressive residual stress introduced by the surface treatment.

  15. Surface and bulk aspects of mixed oxide catalytic nanoparticles: oxidation and dehydration of CH(3)OH by polyoxometallates.

    PubMed

    Nakka, Lingaiah; Molinari, Julie E; Wachs, Israel E

    2009-10-28

    The molecular structures and surface chemistry of mixed metal oxide heteropolyoxo vanadium tungstate (H(3+x)PW(12-x)V(x)O(40) with x = 0, 1, 2, and 3) Keggin nanoparticles (NPs), where vanadium is incorporated into the primary Keggin structure, and supported VO(x) on tungstophosphoric acid (TPA, H(3)PW(12)O(40)), where vanadium is present on the surface of the Keggin unit, were investigated with solid-state magic angle spinning (51)V NMR, FT-IR, in situ Raman, in situ UV-vis, CH(3)OH temperature-programmed surface reaction (TPSR), and steady-state methanol oxidation. The incorporated VO(x) unit possesses one terminal V horizontal lineO bond, four bridging V-O-W/V bonds, and one long V-O-P bond in the primary Keggin structure, and the supported VO(x) unit possesses a similar coordination in the secondary structure under ambient conditions. The specific redox reaction rate for VO(x) in the Keggin primary structure is comparable to that of bulk V(2)O(5) and the more active supported vanadium oxide catalysts. The specific acidic reaction rate for the WO(x) in the TPA Keggin, however, is orders of magnitude greater than found for bulk WO(3), supported tungsten oxide catalysts, and even the highly acidic WO(3)-ZrO(2) catalyst synthesized by coprecipitation of ammonium metatungstate and ZrO(OH)(2). From CH(3)OH-TPSR and in situ Raman spectroscopy it was found that incorporation of vanadium oxide into the primary Keggin structure is also accompanied by the formation of surface VO(x) species at secondary sites on the Keggin outer surface. Both CH(3)OH-TPSR and steady-state methanol oxidation studies demonstrated that the surface VO(x) species on the Keggin outer surface are significantly less active than the VO(x) species incorporated into the primary Keggin structure. The presence of the less active surface VO(x) sites in the Keggins, thus, decreases the specific reaction rates for both methanol oxidation and methanol dehydration. During methanol oxidation/dehydration (O(2

  16. (Ba1-xKx)(Cu2-xMnx)Se2: A copper-based bulk form diluted magnetic semiconductor with orthorhombic BaCu2S2-type structure

    NASA Astrophysics Data System (ADS)

    Guo, Shengli; Man, Huiyuan; Gong, Xin; Ding, Cui; Zhao, Yao; Chen, Bin; Guo, Yang; Wang, Hangdong; Ning, F. L.

    2016-02-01

    A new copper-based bulk form diluted magnetic semiconductor (DMS) (Ba1-xKx)(Cu2-xMnx)Se2 (x=0.075, 0.10, 0.125, and 0.15) with TC ∼18 K has been synthesized. K substitution for Ba introduces hole-type carriers, while Mn substitution for Cu provides local spins. Different from previous reported DMSs, this material crystallizes into orthorhombic BaCu2S2-type crystal structure. No ferromagnetism is observed when only doping Mn, and clear ferromagnetic transition and hysteresis loop have been observed as K and Mn are codoped into the parent compound BaCu2Se2.

  17. Bulk and interface trap generation under negative bias temperature instability stress of p-channel metal-oxide-semiconductor field-effect transistors with nitrogen and silicon incorporated HfO2 gate dielectrics

    NASA Astrophysics Data System (ADS)

    Choi, Changhwan; Lee, Jack C.

    2011-02-01

    Negative bias temperature instabilities (NBTIs) of p-channel metal-oxide-semiconductor field-effect-transistor with HfO2, HfOxNy, and HfSiON were investigated. Higher bulk trap generation (ΔNot) is mainly attributed to threshold voltage shift rather than interface trap generation (ΔNit). ΔNit, ΔNot, activation energy (Ea), and lifetime were exacerbated with incorporated nitrogen while improved with adding Si into gate dielectrics. Compared to HfO2, HfOxNy showed worse NBTI due to nitrogen pile-up at Si interface. However, adding Si into HfOxNy placed nitrogen peak profile away from Si/oxide interface and NBTI was reduced. This improvement is ascribed to reduced ΔNot and ΔNit, resulting from less nitrogen at Si interface.

  18. Self-organization of graft copolymers at surfaces, interfaces and in bulk

    SciTech Connect

    Rabeony, M.; Peiffer, D.G.; Behal, S.K.; Disko, M.; Dozier, W.D.; Thiyagarajan, P.; Lin, M.Y.

    1994-07-01

    The morphology in bulk and thin film of high-integrity graft copolymers has been investigated by small angle neutron and light scattering, neutron reflectivity, and transmission electron microscopy. The model graft copolymers are based on two chemically incompatible-blocks composed of an elastomeric polyethylacrylate backbone onto which pendant monodisperse thermoplastic polystyrene are statistically placed. Two different levels of graft corresponding to an average of 1 and 3 per chain were investigated. In the bulk phase, the low graft level shows irregular fractal-like structures while the high graft level exhibits lamellar microdomains. In thin film, ordered structures were observed also in both compositions. The interphase adhesion between the polystyrene and the polyethylacrylate microdomain was investigated by uniaxially elongating the copolymer films. The low level graft material exhibits normal behavior characteristic of filler-reinforced rubber: the isotropic scattering pattern deforms in an anisotropic manner, i.e., ellipsoid-shaped with the long axis perpendicular to the stretching direction. An ``abnormal Butterfly`` pattern was observed with the high graft level. The butterfly pattern is attributed to the deformation of the lamellar morphology of the copolymer.

  19. Theoretical Study of the Noble Metals on Semiconductor Surfaces and Titanium-Base Shape Memory Alloys

    NASA Astrophysics Data System (ADS)

    Ding, Yungui

    The electronic and structural properties of the (sqrt3 x sqrt3) R30^circ Ag/Si(111) and ( sqrt3 x sqrt3) R30^ circ Au/Si(111) surfaces are investigated using first principles total energy calculations. We have tested almost all experimentally proposed structural models for both surfaces and found the energetically most favorable model for each of them. The lowest energy model structure of the (sqrt3 x sqrt3) R30^circ Ag/Si(111) surface consists of a top layer of Ag atoms arranged as "honeycomb -chained-trimers" lying above a distorted "missing top layer" Si(111) substrate. The coverage of Ag is 1 monolayer (ML). We find that the honeycomb structure observed in STM images arise from the electronic charge densities of an empty surface band near the Fermi level. The electronic density of states of this model gives a "pseudo-gap" around the Fermi level, which is consistent with experimental results. The lowest energy model for the (sqrt3 x sqrt3) R30^circ Au/Si(111) surface is a conjugate honeycomb-chained-trimer (CHCT-1) configuration which consists of a top layer of trimers formed by 1 ML Au atoms lying above a "missing top layer" Si(111) substrate with a honeycomb-chained-trimer structure for its first layer. The structures of Au and Ag are in fact quite similar and belong to the same class of structural models. However, small variation in the structural details gives rise to quite different observed STM images, as revealed in the theoretical calculations. The electronic charge density from bands around the Fermi level for the (sqrt3 x sqrt3) R30^circ Au/Si(111) surface also gives a good description of the images observed in STM experiments. First principles calculations are performed to study the electronic and structural properties of a series of Ti-base binary alloys TiFe, TiNi, TiPd, TiMo, and TiAu in the B2 structure. Calculations are also done for Ti in bcc structure and hypothetical B2-structured TiAl, TiAg, and TiCu. Our results show correlation between the

  20. Experimental and Theoretical Studies on Oxidation of Cu-Au Alloy Surfaces: Effect of Bulk Au Concentration

    PubMed Central

    Okada, Michio; Tsuda, Yasutaka; Oka, Kohei; Kojima, Kazuki; Diño, Wilson Agerico; Yoshigoe, Akitaka; Kasai, Hideaki

    2016-01-01

    We report results of our experimental and theoretical studies on the oxidation of Cu-Au alloy surfaces, viz., Cu3Au(111), CuAu(111), and Au3Cu(111), using hyperthermal O2 molecular beam (HOMB). We observed strong Au segregation to the top layer of the corresponding clean (111) surfaces. This forms a protective layer that hinders further oxidation into the bulk. The higher the concentration of Au in the protective layer formed, the higher the protective efficacy. As a result, of the three Cu-Au surfaces studied, Au3Cu(111) is the most stable against dissociative adsorption of O2, even with HOMB. We also found that this protective property breaks down for oxidations occurring at temperatures above 300 K. PMID:27516137

  1. A Unified Mathematical Model for the Prediction of Controlled Release from Surface and Bulk Eroding Polymer Matrices

    PubMed Central

    Rothstein, Sam N.; Federspiel, William J.; Little, Steven R.

    2010-01-01

    A unified model has been developed to predict release not only from bulk eroding and surface eroding systems but also from matrices that transition from surface eroding to bulk eroding behavior during the course of degradation. This broad applicability is afforded by fundamental diffusion/reaction equations that can describe a wide variety of scenarios including hydration of and mass loss from a hydrolysable polymer matrix. Together, these equations naturally account for spatial distributions of polymer degradation rate. In this model paradigm, the theoretical minimal size required for a matrix to exhibit degradation under surface eroding conditions was calculated for various polymer types and then verified by empirical data from the literature. An additional set of equations accounts for dissolution-and/or degradation-based release and is dependent upon hydration of the matrix and erosion of the polymer. To test the model’s accuracy, predictions for agent egress were compared to experimental data from polyanhydride and polyorthoester implants that were postulated to undergo either dissolution-limited or degradation-controlled release. Because these predictions are calculated solely from readily-attainable design parameters, it seems likely that this model could be used to guide the design controlled release formulations that produce a broad array of custom release profiles. PMID:19101031

  2. Superconductivity below 20 K in heavily electron-doped surface layer of FeSe bulk crystal.

    PubMed

    Seo, J J; Kim, B Y; Kim, B S; Jeong, J K; Ok, J M; Kim, Jun Sung; Denlinger, J D; Mo, S-K; Kim, C; Kim, Y K

    2016-04-06

    A superconducting transition temperature (Tc) as high as 100 K was recently discovered in one monolayer FeSe grown on SrTiO3. The discovery ignited efforts to identify the mechanism for the markedly enhanced Tc from its bulk value of 8 K. There are two main views about the origin of the Tc enhancement: interfacial effects and/or excess electrons with strong electron correlation. Here, we report the observation of superconductivity below 20 K in surface electron-doped bulk FeSe. The doped surface layer possesses all the key spectroscopic aspects of the monolayer FeSe on SrTiO3. Without interfacial effects, the surface layer state has a moderate Tc of 20 K with a smaller gap opening of 4.2 meV. Our results show that excess electrons with strong correlation cannot induce the maximum Tc, which in turn reveals the need for interfacial effects to achieve the highest Tc in one monolayer FeSe on SrTiO3.

  3. Superconductivity below 20 K in heavily electron-doped surface layer of FeSe bulk crystal

    PubMed Central

    Seo, J. J.; Kim, B. Y.; Kim, B. S.; Jeong, J. K.; Ok, J. M.; Kim, Jun Sung; Denlinger, J. D.; Mo, S. -K.; Kim, C.; Kim, Y. K.

    2016-01-01

    A superconducting transition temperature (Tc) as high as 100 K was recently discovered in one monolayer FeSe grown on SrTiO3. The discovery ignited efforts to identify the mechanism for the markedly enhanced Tc from its bulk value of 8 K. There are two main views about the origin of the Tc enhancement: interfacial effects and/or excess electrons with strong electron correlation. Here, we report the observation of superconductivity below 20 K in surface electron-doped bulk FeSe. The doped surface layer possesses all the key spectroscopic aspects of the monolayer FeSe on SrTiO3. Without interfacial effects, the surface layer state has a moderate Tc of 20 K with a smaller gap opening of 4.2 meV. Our results show that excess electrons with strong correlation cannot induce the maximum Tc, which in turn reveals the need for interfacial effects to achieve the highest Tc in one monolayer FeSe on SrTiO3. PMID:27050161

  4. A combined FTIR and TPD study on the bulk and surface dehydroxylation and decarbonation of synthetic goethite

    NASA Astrophysics Data System (ADS)

    Boily, Jean-François; Szanyi, János; Felmy, Andrew R.

    2006-07-01

    The thermal dehydroxylation of a goethite-carbonate solid solution was studied with combined Fourier-transform infrared (FTIR)-Temperature programmed desorption (TPD) experiments. The TPD data revealed dehydroxylation peaks involving the intrinsic dehydroxylation of goethite at 560 K and a low temperature peak at 485 K which was shown to be associated to the release of non-stoichiometric water from the goethite bulk and surface. The FTIR and the TPD data of goethite in the absence of adsorbed carbonate species revealed the presence of adventitious carbonate mostly sequestered in the goethite bulk. The release of carbonate was however not only related to the dehydration of goethite but also from the crystallization of hematite at temperatures exceeding 600 K. The relative abundance of surface hydroxyls was shown to change systematically upon goethite dehydroxylation with a preferential stripping of singly-coordinated sbnd OH sites followed by a dramatic change in the dominance of the different surface hydroxyls upon the formation of hematite.

  5. A molded surface-micromachining and bulk etching release (MOSBE) fabrication platform on (1 1 1) Si for MOEMS

    NASA Astrophysics Data System (ADS)

    Wu, Mingching; Fang, Weileun

    2006-02-01

    This work attempts to integrate poly-Si thin film and single-crystal-silicon (SCS) structures in a monolithic process. The process integrated multi-depth DRIE (deep reactive ion etching), trench-refilled molding, a two poly-Si MUMPs process and (1 1 1) Si bulk micromachining to accomplish multi-thickness and multi-depth structures for superior micro-optical devices. In application, a SCS scanning mirror driven by self-aligned vertical comb-drive actuators was demonstrated. The stiffness of the mirror was significantly increased by thick SCS structures. The thin poly-Si film served as flexible torsional springs and electrical routings. The depth difference of the vertical comb electrodes was tuned by DRIE to increase the devices' stroke. Finally, a large moving space was available after the bulk Si etching. In summary, the present fabrication process, named (1 1 1) MOSBE (molded surface-micromachining and bulk etching release on (1 1 1) Si substrate), can further integrate with the MUMPs devices to establish a more powerful platform.

  6. Unitary lens semiconductor device

    DOEpatents

    Lear, K.L.

    1997-05-27

    A unitary lens semiconductor device and method are disclosed. The unitary lens semiconductor device is provided with at least one semiconductor layer having a composition varying in the growth direction for unitarily forming one or more lenses in the semiconductor layer. Unitary lens semiconductor devices may be formed as light-processing devices such as microlenses, and as light-active devices such as light-emitting diodes, photodetectors, resonant-cavity light-emitting diodes, vertical-cavity surface-emitting lasers, and resonant cavity photodetectors. 9 figs.

  7. Unitary lens semiconductor device

    DOEpatents

    Lear, Kevin L.

    1997-01-01

    A unitary lens semiconductor device and method. The unitary lens semiconductor device is provided with at least one semiconductor layer having a composition varying in the growth direction for unitarily forming one or more lenses in the semiconductor layer. Unitary lens semiconductor devices may be formed as light-processing devices such as microlenses, and as light-active devices such as light-emitting diodes, photodetectors, resonant-cavity light-emitting diodes, vertical-cavity surface-emitting lasers, and resonant cavity photodetectors.

  8. Semiconductor microcavity lasers

    SciTech Connect

    Gourley, P.L.; Wendt, J.R.; Vawter, G.A.; Warren, M.E.; Brennan, T.M.; Hammons, B.E.

    1994-02-01

    New kinds of semiconductor microcavity lasers are being created by modern semiconductor technologies like molecular beam epitaxy and electron beam lithography. These new microcavities exploit 3-dimensional architectures possible with epitaxial layering and surface patterning. The physical properties of these microcavities are intimately related to the geometry imposed on the semiconductor materials. Among these microcavities are surface-emitting structures which have many useful properties for commercial purposes. This paper reviews the basic physics of these microstructured lasers.

  9. Fabrication and characterization of PbSe nanostructures on van der Waals surfaces of GaSe layered semiconductor crystals.

    PubMed

    Kudrynskyi, Z R; Bakhtinov, A P; Vodopyanov, V N; Kovalyuk, Z D; Tovarnitskii, M V; Lytvyn, O S

    2015-11-20

    The growth morphology, composition and structure of PbSe nanostructures grown on the atomically smooth, clean, nanoporous and oxidized van der Waals (0001) surfaces of GaSe layered crystals were studied by means of atomic force microscopy, x-ray diffractometry,photoelectron spectroscopy and Raman spectroscopy. Semiconductor heterostructures were grown by the hot-wall technique in vacuum. Nanoporous GaSe substrates were fabricated by the thermal annealing of layered crystals in a molecular hydrogen atmosphere. The irradiation of the GaSe(0001) surface by UV radiation was used to fabricate thin Ga(2)O(3) layers with thickness < 2 nm. It was found that the narrow gap semiconductor PbSe shows a tendency to form clusters with a square or rectangular symmetry on the cleanlow-energy (0001) GaSe surface, and (001)-oriented growth of PbSe thin films takes place on this surface. Using this growth technique it is possible to grow PbSe nanostructures with different morphologies:continuous epitaxial layers with thickness < 10 nm on the uncontaminated p-GaSe(0001)surfaces, homogeneous arrays of quantum dots with a high lateral density (more than 1011 cm(−2))on the oxidized van der Waals (0001) surfaces and faceted square pillar-like nanostructures with a low lateral density (∼10(8) cm(−2)) on the nanoporous GaSe substrates. We exploit the ‘vapor–liquid–solid’ growth with low-melting metal (Ga) catalyst of PbSe crystalline branched nanostructures via a surface-defect-assisted mechanism.

  10. Effect of a skin-deep surface zone on the formation of a two-dimensional electron gas at a semiconductor surface

    NASA Astrophysics Data System (ADS)

    Olszowska, Natalia; Lis, Jakub; Ciochon, Piotr; Walczak, Łukasz; Michel, Enrique G.; Kolodziej, Jacek J.

    2016-09-01

    Two-dimensional electron gases (2DEGs) at surfaces and interfaces of semiconductors are described straightforwardly with a one-dimensional (1D) self-consistent Poisson-Schrödinger scheme. However, their band energies have not been modeled correctly in this way. Using angle-resolved photoelectron spectroscopy we study the band structures of 2DEGs formed at sulfur-passivated surfaces of InAs(001) as a model system. Electronic properties of these surfaces are tuned by changing the S coverage, while keeping a high-quality interface, free of defects and with a constant doping density. In contrast to earlier studies we show that the Poisson-Schrödinger scheme predicts the 2DEG band energies correctly but it is indispensable to take into account the existence of the physical surface. The surface substantially influences the band energies beyond simple electrostatics, by setting nontrivial boundary conditions for 2DEG wave functions.

  11. ARTICLES: Nonlinear interaction of infrared waves on a VO2 surface at a semiconductor-metal phase transition

    NASA Astrophysics Data System (ADS)

    Berger, N. K.; Zhukov, E. A.; Novokhatskiĭ, V. V.

    1984-04-01

    The use of a semiconductor-metal phase transition for wavefront reversal of laser radiation was proposed. An investigation was made of nonlinear reflection of CO2 laser radiation at a phase transition in VO2. A three-wave interaction on a VO2 surface was achieved using low-power cw and pulsed CO2 lasers. In the first case, the intensity reflection coefficient was 0.5% for a reference wave intensity of 0.9 W/cm2 and in the second case, it was 42% for a threshold reference wave energy density of 0.6-0.8 mJ/cm2.

  12. Analysis of surface and bulk effects in HgCdTe photodetector arrays by variable-area diode test structures

    NASA Astrophysics Data System (ADS)

    Deng, Yi; Lin, Chun; Hu, Xiaoning

    2009-07-01

    This study describes variable-area diode data analysis of surface and bulk effects of HgCdTe infrared photodiodes passivated with dual-layer CdTe/ZnS films. We attempt to present a general analytical relation between the zero-bias resistance-area product and the perimeter-to-area ratio of the diodes by variable-area diode array test structures. We have taken contributions into consideration from surface leakage between HgCdTe and passivant due to band bending, surface generation currents in the depletion region close to the HgCdTe-passivant interface, and the bulk currents. The model we use is based on the one put forward by Vishnu Gopal. The variable-area diode data analysis can be of great practical help in identifying the various possible mechanism contributing to the surface leakage currents. Through data analysis and curve fitting, we can also get some other useful parameters (like junction depth), which can be the reference to other experiment results. The experimental samples we used range from 20μm to 200μm in size and include both square and circular diode geometries. The conventional boron implantation was used to form the p-n junction and Au was used for the metal pads. The insulating layers of CdTe and ZnS were both electron-beam evaporated at a rate of 1.3 Å/sec. The fabricated diode test patterns were wire-bonded and packaged into a dewar system. I-V measurements were performed using a Keithley 4200 parameter analyzer. The data analysis and curve fitting are all dealt with by MATLAB. Through the results we can find that the surface leakage is nearly the same to the bulk current in diameter between 50~150μm, which indicate that surface leakage is still a dominating dark current in small dimension diode. The results also showed that diodes from 50 to 150μm in size have better performance than the larger or smaller ones and this can be explained by the limit of material imperfection and the limit of processing techniques.

  13. Potential energy surface of excited semiconductors: Graphene quantum dot and BODIPY

    NASA Astrophysics Data System (ADS)

    Colherinhas, Guilherme; Fileti, Eudes Eterno; Chaban, Vitaly V.

    2016-08-01

    Binding energy (BE) is an important descriptor in chemistry, which determines thermodynamics and phase behavior of a given substance. BE between two molecules is not directly accessible from the experiment. It has to be reconstructed from cohesive energies, vaporization heats, etc. We report BE for the excited states of two semiconductor molecules - boron-dipyrromethene (BODIPY) and graphene quantum dot (GQD) - with water. We show, for the first time, that excitation increases BE twofold at an optimal separation (energy minimum position), whereas higher separations lead to higher differences. Interestingly, the effects of excitation are similar irrespective of the dominant binding interactions (van der Waals or electrostatic) in the complex. This new knowledge is important for simulations of the excited semiconductors by simplified interaction functions.

  14. Surface engineering of a Zr-based bulk metallic glass with low energy Ar- or Ca-ion implantation.

    PubMed

    Huang, Lu; Zhu, Chao; Muntele, Claudiu I; Zhang, Tao; Liaw, Peter K; He, Wei

    2015-02-01

    In the present study, low energy ion implantation was employed to engineer the surface of a Zr-based bulk metallic glass (BMG), aiming at improving the biocompatibility and imparting bioactivity to the surface. Ca- or Ar-ions were implanted at 10 or 50 keV at a fluence of 8 × 10(15)ions/cm(2) to (Zr0.55Al0.10Ni0.05Cu0.30)99Y1 (at.%) BMG. The effects of ion implantation on material properties and subsequent cellular responses were investigated. Both Ar- and Ca-ion implantations were suggested to induce atom displacements on the surfaces according to the Monte-Carlo simulation. The change of atomic environment of Zr in the surface regions as implied by the alteration in X-ray absorption measurements at Zr K-edge. X-ray photoelectron spectroscopy revealed that the ion implantation process has modified the surface chemical compositions and indicated the presence of Ca after Ca-ion implantation. The surface nanohardness has been enhanced by implantation of either ion species, with Ca-ion implantation showing more prominent effect. The BMG surfaces were altered to be more hydrophobic after ion implantation, which can be attributed to the reduced amount of hydroxyl groups on the implanted surfaces. Higher numbers of adherent cells were found on Ar- and Ca-ion implanted samples, while more pronounced cell adhesion was observed on Ca-ion implanted substrates. The low energy ion implantation resulted in concurrent modifications in atomic structure, nanohardness, surface chemistry, hydrophobicity, and cell behavior on the surface of the Zr-based BMG, which were proposed to be mutually correlated with each other.

  15. Nanoscale strain engineering on the surface of a bulk TiO2 crystal.

    PubMed

    Potapenko, Denis V; Li, Zhisheng; Kysar, Jeffery W; Osgood, Richard M

    2014-11-12

    Arrays of highly strained 5-25 nm-wide regions have been prepared on rutile TiO2(110) surface through a low energy Ar ion bombardment technique. Using scanning tunneling microscopy (STM) and an innovative STM tip-triggered nanoexplosion approach we show experimentally that the protrusions arise from subsurface Ar-filled pockets. Continuum mechanics modeling gives good estimates of the corresponding elastic deformation. Surface strain values of up to 4% have been deduced.

  16. Thermodynamic and kinetic size effects for hydrogen-desorption in catalytically-doped magnesium hydride: Nanoparticle versus bulk surface effects

    NASA Astrophysics Data System (ADS)

    Reich, Jason; Wang, L.-L.; Johnson, D. D.

    2010-03-01

    Using density-functional methods with simulated annealing, we show that there are no size effects for hydrogen desorption energies in nanoparticles (NPs) of MgH2. Recently reported exothermic desorption energies in MgH2-doped NP (Mg30XH62) are shown to be spurious, resulting from metastable NP configurations before dehyrogenation. We confirm that the 93-atom NPs are amorphous, with structures that are sensitive to the presence of dopants, found via simulated annealing techniques. We find that dehydrogenation energies are similar between bulk surfaces and nanoparticles, showing that the thermodynamics is unchanged by particle size as desorption is determined only by the local hydrogen-metal bond. We then discuss the effects of nanoparticle size and presence of dopants on the kinetic barriers between NPs and bulk surfaces. The takehome message is: In modeling desorption events, especially within amorphous NPs, metastable, local minimum must be carefully avoided, and, in doing so, an accurate and physically reasonable picture emerges for the thermodynamic and kinetic behavior.

  17. Bulk Surfaces Coated with Triangular Silver Nanoplates: Antibacterial Action Based on Silver Release and Photo-Thermal Effect

    PubMed Central

    D’Agostino, Agnese; Taglietti, Angelo; Desando, Roberto; Bini, Marcella; Patrini, Maddalena; Dacarro, Giacomo; Cucca, Lucia; Pallavicini, Piersandro; Grisoli, Pietro

    2017-01-01

    A layer of silver nanoplates, specifically synthesized with the desired localized surface plasmon resonance (LSPR) features, was grafted on amino-functionalized bulk glass surfaces to impart a double antibacterial action: (i) the well-known, long-term antibacterial effect based on the release of Ag+; (ii) an “on demand” action which can be switched on by the use of photo-thermal properties of silver nano-objects. Irradiation of these samples with a laser having a wavelength falling into the so called “therapeutic window” of the near infrared region allows the reinforcement, in the timescale of minutes, of the classical antibacterial effect of silver nanoparticles. We demonstrate how using the two actions allows for almost complete elimination of the population of two bacterial strains of representative Gram-positive and Gram-negative bacteria. PMID:28336841

  18. Correlation between corrosion performance and surface wettability in ZrTiCuNiBe bulk metallic glasses

    NASA Astrophysics Data System (ADS)

    Wang, Y. B.; Li, H. F.; Zheng, Y. F.; Wei, S. C.; Li, M.

    2010-06-01

    The corrosion properties of two Zr-based bulk metallic glass, Zr41Ti14Cu12Ni10Be23 (LM1) and Zr44Ti11Cu10Ni10Be25 (LM1b) were investigated by electrochemical measurements in simulated body fluid with pH value 7.4. With much lower current density and higher impedance values, as well as higher pitting potential, LM1b showed superior corrosion resistance to LM1. Under identical sample preparation and testing conditions, the difference in corrosion performance is found to relate closely to their surface wettability difference, as contact angle tests showed that LM1b is more hydrophobic than LM1. The excess free volume was measured and found having a close correlation with the wettability or the surface energy.

  19. Sub-Surface and Bulk Creep Behaviour of Polyurethane/Clay Nanocomposites.

    PubMed

    Jin, J; Yusoh, K; Zhang, H X; Song, M

    2016-03-01

    A series of exfoliated and intercalated polyurethane organoclay nanocomposites were prepared by in situ polymerization of polyol/organoclay mixture, chain extender and diisocyanate. The creep behaviour of subsurface and bulk of the polyurethane coatings was investigated by nanoindentation technique and uniaxial conventional creep testing method, respectively. The results showed that the creep resistance of the nanocomposites was significantly improved by incorporation of organoclay. The enhancement of creep resistance was dependent on clay content as well as organoclay structure (exfoliation or intercalation) in the polymer matrix. With 1 wt% organoclay, the creep resistance increased by about 50% for the intercalated organoclay and 6% for the exfoliated organoclay systems, respectively, compared to the pristine polyurethane. Viscoelastic model was employed to investigate the effect of organoclay loadings on the creep performance of the polyurethane. Results showed the model was in good agreement with the experimental data. Incorporation of clay leads to an increase in elastic deformation especially in exfoliated polyurethane nanocomposites and induces a higher initial displacement at the early stage of creep.

  20. Influence of high-temperature processing on the surface properties of bulk AlN substrates

    NASA Astrophysics Data System (ADS)

    Tojo, Shunsuke; Yamamoto, Reo; Tanaka, Ryohei; Thieu, Quang Tu; Togashi, Rie; Nagashima, Toru; Kinoshita, Toru; Dalmau, Rafael; Schlesser, Raoul; Murakami, Hisashi; Collazo, Ramón; Koukitu, Akinori; Monemar, Bo; Sitar, Zlatko; Kumagai, Yoshinao

    2016-07-01

    Deep-level luminescence at 3.3 eV related to the presence of Al vacancies (VAl) was observed in room temperature photoluminescence (RT-PL) spectra of homoepitaxial AlN layers grown at 1450 °C by hydride vapor-phase epitaxy (HVPE) and cooled to RT in a mixture of H2 and N2 with added NH3. However, this luminescence disappeared after removing the near surface layer of AlN by polishing. In addition, the deep-level luminescence was not observed when the post-growth cooling of AlN was conducted without NH3. Secondary ion mass spectrometry (SIMS) studies revealed that although the point defect density of the interior of the AlN layers remained low, the near surface layer cooled in the presence of NH3 was contaminated by Si impurities due to both suppression of the surface decomposition by the added NH3 and volatilization of Si by decomposition of the quartz reactor walls at high temperatures. The deep-level luminescence reappeared after the polished AlN wafers were heated in presence of NH3 at temperatures above 1400 °C. The surface contamination by Si is thought to generate VAl near the surface by lowering their formation energy due to the Fermi level effect, resulting in deep-level luminescence at 3.3 eV caused by the shallow donor (Si) to VAl transition.

  1. III-V compound semiconductor growth on silicon via germanium buffer and surface passivation for CMOS technology

    NASA Astrophysics Data System (ADS)

    Choi, Donghun

    Integration of III-V compound semiconductors on silicon substrates has recently received much attention for the development of optoelectronic and high speed electronic devices. However, it is well known that there are some key challenges for the realization of III-V device fabrication on Si substrates: (i) the large lattice mismatch (in case of GaAs: 4.1%), and (ii) the formation of antiphase domain (APD) due to the polar compound semiconductor growth on non-polar elemental structure. Besides these growth issues, the lack of a useful surface passivation technology for compound semiconductors has precluded development of metal-oxide-semiconductor (MOS) devices and causes high surface recombination parasitics in scaled devices. This work demonstrates the growth of high quality III-V materials on Si via an intermediate Ge buffer layer and some surface passivation methods to reduce interface defect density for the fabrication of MOS devices. The initial goal was to achieve both low threading dislocation density (TDD) and low surface roughness on Ge-on-Si heterostructure growth. This was achieved by repeating a deposition-annealing cycle consisting of low temperature deposition + high temperature-high rate deposition + high temperature hydrogen annealing, using reduced-pressure chemical-vapor deposition (CVD). We then grew III-V materials on the Ge/Si virtual substrates using molecular-beam epitaxy (MBE). The relationship between initial Ge surface configuration and antiphase boundary formation was investigated using surface reflection high-energy electron diffraction (RHEED) patterns and atomic force microscopy (AFM) image analysis. In addition, some MBE growth techniques, such as migration enhanced epitaxy (MEE) and low temperature GaAs growth, were adopted to improve surface roughness and solve the Ge self-doping problem. Finally, an Al2O3 gate oxide layer was deposited using atomic-layer-deposition (ALD) system after HCl native oxide etching and ALD in-situ pre

  2. Atomistic Modeling of Surface and Bulk Properties of Cu, Pd and the Cu-Pd System

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Garces, Jorge E.; Noebe, Ronald D.; Abel, Phillip; Mosca, Hugo O.; Gray, Hugh R. (Technical Monitor)

    2002-01-01

    The BFS (Bozzolo-Ferrante-Smith) method for alloys is applied to the study of the Cu-Pd system. A variety of issues are analyzed and discussed, including the properties of pure Cu or Pd crystals (surface energies, surface relaxations), Pd/Cu and Cu/Pd surface alloys, segregation of Pd (or Cu) in Cu (or Pd), concentration dependence of the lattice parameter of the high temperature fcc CuPd solid solution, the formation and properties of low temperature ordered phases, and order-disorder transition temperatures. Emphasis is made on the ability of the method to describe these properties on the basis of a minimum set of BFS universal parameters that uniquely characterize the Cu-Pd system.

  3. Enhanced photorefractive performance of bulk cu-doped KNSBN crystals through surface electrostatic modification

    NASA Astrophysics Data System (ADS)

    Li, Liang; Zhang, Jingwen; Zhao, Hua

    2017-01-01

    The remarkable photorefractivity enhancement was observed and investigated in copper-doped (K0.5Na0.5)0.2(Sr0.75Ba0.25)0.9Nb2O6 (Cu:KNSBN) crystals due to charge accumulation on the surface, stemming from electrostrictive effect. This electrostatic modification to the surface was studied with conventional two beam coupling experiment and over 17 high diffraction orders were observed. To estimate the amount of charge accumulation, the surface charge density was measured through direct current measurement using a close loop circuit. It was believed that a thin phase grating was responsible for the diffraction pattern, which was confirmed by the related reading experiment. Corresponding calculation and analysis were given to highlight the strong refractive index modulation of the gratings.

  4. Increased efficiency of direct nanoimprinting on planar and curved bulk titanium through surface modification☆

    PubMed Central

    Greer, Andrew I.M.; Seunarine, Krishna; Khokhar, Ali Z.; MacLaren, Ian; Brydone, Alistair S.; Moran, David A.J.; Gadegaard, Nikolaj

    2013-01-01

    In this work the direct transfer of nanopatterns into titanium is demonstrated. The nanofeatures are imprinted at room temperature using diamond stamps in a single step. We also show that the imprint properties of the titanium surface can be altered by anodisation yielding a significant reduction in the required imprint force for pattern transfer. The anodisation process is also utilised for curved titanium surfaces where a reduced imprint force is preferable to avoid sample deformation and damage. We finally demonstrate that our process can be applied directly to titanium rods. PMID:24748699

  5. Semiconductor heterostructure

    NASA Technical Reports Server (NTRS)

    Hovel, Harold John (Inventor); Woodall, Jerry MacPherson (Inventor)

    1978-01-01

    A technique for fabricating a semiconductor heterostructure by growth of a ternary semiconductor on a binary semiconductor substrate from a melt of the ternary semiconductor containing less than saturation of at least one common ingredient of both the binary and ternary semiconductors wherein in a single temperature step the binary semiconductor substrate is etched, a p-n junction with specific device characteristics is produced in the binary semiconductor substrate by diffusion of a dopant from the melt and a region of the ternary semiconductor of precise conductivity type and thickness is grown by virtue of a change in the melt characteristics when the etched binary semiconductor enters the melt.

  6. Semiconductor structure

    NASA Technical Reports Server (NTRS)

    Hovel, Harold J. (Inventor); Woodall, Jerry M. (Inventor)

    1979-01-01

    A technique for fabricating a semiconductor heterostructure by growth of a ternary semiconductor on a binary semiconductor substrate from a melt of the ternary semiconductor containing less than saturation of at least one common ingredient of both the binary and ternary semiconductors wherein in a single temperature step the binary semiconductor substrate is etched, a p-n junction with specific device characteristics is produced in the binary semiconductor substrate by diffusion of a dopant from the melt and a region of the ternary semiconductor of precise conductivity type and thickness is grown by virtue of a change in the melt characteristics when the etched binary semiconductor enters the melt.

  7. Decoupling single nanowire mobilities limited by surface scattering and bulk impurity scattering

    SciTech Connect

    Khanal, D. R.; Levander, A. X.; Wu, J.; Yu, K. M.; Liliental-Weber, Z.; Walukiewicz, W.; Grandal, J.; Sanchez-Garcia, M. A.; Calleja, E.

    2011-08-01

    We demonstrate the isolation of two free carrier scattering mechanisms as a function of radial band bending in InN nanowires via universal mobility analysis, where effective carrier mobility is measured as a function of effective electric field in a nanowire field-effect transistor. Our results show that Coulomb scattering limits effective mobility at most effective fields, while surface roughness scattering only limits mobility under very high internal electric fields. High-energy {alpha} particle irradiation is used to vary the ionized donor concentration, and the observed decrease in mobility and increase in donor concentration are compared to Hall effect results of high-quality InN thin films. Our results show that for nanowires with relatively high doping and large diameters, controlling Coulomb scattering from ionized dopants should be given precedence over surface engineering when seeking to maximize nanowire mobility.

  8. Coupling between bulk- and surface chemistry in suspensions of charged colloids

    NASA Astrophysics Data System (ADS)

    Heinen, M.; Palberg, T.; Löwen, H.

    2014-03-01

    The ionic composition and pair correlations in fluid phases of realistically salt-free charged colloidal sphere suspensions are calculated in the primitive model. We obtain the number densities of all ionic species in suspension, including low-molecular weight microions, and colloidal macroions with acidic surface groups, from a self-consistent solution of a coupled physicochemical set of nonlinear algebraic equations and non-mean-field liquid integral equations. Here, we study suspensions of colloidal spheres with sulfonate or silanol surface groups, suspended in demineralized water that is saturated with carbon dioxide under standard atmosphere. The only input required for our theoretical scheme are the acidic dissociation constants pKa, and effective sphere diameters of all involved ions. Our method allows for an ab initio calculation of colloidal bare and effective charges, at high numerical efficiency.

  9. Bulk and surface acoustic waves in solid-fluid Fibonacci layered materials.

    PubMed

    Quotane, I; El Boudouti, E H; Djafari-Rouhani, B; El Hassouani, Y; Velasco, V R

    2015-08-01

    We study theoretically the propagation and localization of acoustic waves in quasi-periodic structures made of solid and fluid layers arranged according to a Fibonacci sequence. We consider two types of structures: either a given Fibonacci sequence or a periodic repetition of a given sequence called Fibonacci superlattice. Various properties of these systems such as: the scaling law and the self-similarity of the transmission spectra or the power law behavior of the measure of the energy spectrum have been highlighted for waves of sagittal polarization in normal and oblique incidence. In addition to the allowed modes which propagate along the system, we study surface modes induced by the surface of the Fibonacci superlattice. In comparison with solid-solid layered structures, the solid-fluid systems exhibit transmission zeros which can break the self-similarity behavior in the transmission spectra for a given sequence or induce additional gaps other than Bragg gaps in a periodic structure.

  10. Solitary surface acoustic waves and bulk solitons in nanosecond and picosecond laser ultrasonics.

    PubMed

    Hess, Peter; Lomonosov, Alexey M

    2010-02-01

    Recent achievements of nonlinear acoustics concerning the realization of solitons and solitary waves in crystals and their surfaces attained by nanosecond and picosecond laser ultrasonics are discussed and compared. The corresponding pump-probe setups are described, which allow an all-optical contact-free excitation and detection of short strain pulses in the broad frequency range between 10 MHz and about 300 GHz. The formation of solitons in the propagating longitudinal strain pulses is investigated for nonlinear media with intrinsic lattice-based dispersion. The excitation of solitary surface acoustic waves is realized by a geometric film-based dispersion effect. Future developments and potential applications of nonlinear nanosecond and picosecond ultrasonics are discussed.

  11. Quantum oscillations from generic surface Fermi arcs and bulk chiral modes in Weyl semimetals

    PubMed Central

    Zhang, Yi; Bulmash, Daniel; Hosur, Pavan; Potter, Andrew C.; Vishwanath, Ashvin

    2016-01-01

    We re-examine the question of quantum oscillations from surface Fermi arcs and chiral modes in Weyl semimetals. By introducing two tools - semiclassical phase-space quantization and a numerical implementation of a layered construction of Weyl semimetals - we discover several important generalizations to previous conclusions that were implicitly tailored to the special case of identical Fermi arcs on top and bottom surfaces. We show that the phase-space quantization picture fixes an ambiguity in the previously utilized energy-time quantization approach and correctly reproduces the numerically calculated quantum oscillations for generic Weyl semimetals with distinctly curved Fermi arcs on the two surfaces. Based on these methods, we identify a ‘magic’ magnetic-field angle where quantum oscillations become independent of sample thickness, with striking experimental implications. We also analyze the stability of these quantum oscillations to disorder, and show that the high-field oscillations are expected to persist in samples whose thickness parametrically exceeds the quantum mean free path. PMID:27033563

  12. Conductivity in transparent oxide semiconductors.

    PubMed

    King, P D C; Veal, T D

    2011-08-24

    conductivity in TCOs. We discuss models that attempt to explain both the bulk and surface conductivity on the basis of bulk band structure features common across the TCOs, and compare these materials to other semiconductors. Finally, we briefly consider transparency in these materials, and its interplay with conductivity. Understanding this interplay, as well as the microscopic contenders for providing the conductivity of these materials, will prove essential to the future design and control of TCO semiconductors, and their implementation into novel multifunctional devices.

  13. Analysis of the interaction of a laser pulse with a silicon wafer - Determination of bulk lifetime and surface recombination velocity

    NASA Technical Reports Server (NTRS)

    Luke, Keung L.; Cheng, Li-Jen

    1987-01-01

    The decay of excess minority carriers produced in a silicon wafer of thickness d by a laser pulse is analyzed. A comprehensive theory based on this analysis is presented for the determination of bulk lifetime Tau(b) and surface recombination velocity S. It is shown that, starting with an exponential spatial profile, the carrier profile assumes a spatially symmetrical form after approximately one time constant of the fundamental mode of decay. Expressions for the spatial average of the carrier density as a function of time are derived for three temporal laser pulse shapes: impulse, square, and Gaussian. Particular attention is paid to the time constants of the fundamental and higher modes of decay. The ratios of the time constants of the higher modes to the fundamental mode, as well as the time constant of the fundamental mode, are presented over wide ranges of values of S and d. For Sd less than about 40 sq cm/s, a two-wafer method is developed to determine Tau(b) and S; it is also shown that the requirement of d/Tau(b) greater than about 20S is sufficient to adequately guarantee that the asymptotic value of the instantaneous observed lifetime differs from the bulk lifetime by no more than 10 percent.

  14. Functionalization of the semiconductor surfaces of diamond (100), Si (100), and Ge (100) by cycloaddition of transition metal oxides: a theoretical prediction.

    PubMed

    Xu, Yi-Jun; Fu, Xianzhi

    2009-09-01

    The viability of functionalization of the semiconductor surfaces of diamond (100), Si (100), and Ge (100) by traditional [3 + 2] cycloaddition of transition metal oxides has been predicted using effective cluster models in the framework of density functional theory. The cycloaddition of transition metal oxides (OsO(4), RuO(4), and MnO(4)(-)) onto the X (100) (X = C, Si, and Ge) surface is much more facile than that of other molecular analogues including ethylene, fullerene, and single-walled carbon nanotubes because of the high reactivity of surface dimers of X (100). Our computational results demonstrate the plausibility that the well-known [3 + 2] cycloaddition of transition metal oxides to alkenes in organic chemistry can be employed as a new type of surface reaction to functionalize the semiconductor X (100) surface, which offers the new possibility for self-assembly or chemical functionalization of X (100) at low temperature. More importantly, the chemical functionalization of X (100) by cycloaddition of transition metal oxides provides the molecular basis for preparation of semiconductor-supported catalysts but also strongly advances the concept of using organic reactions to modify the solid surface, particularly to modify the semiconductor C (100), Si (100), and Ge (100) surfaces for target applications in numerous fields such as microelectronics and heterogeneous photocatalysis.

  15. Space Weathering Effects in Lunar Soils: The Roles of Surface Exposure Time and Bulk Chemical Composition

    NASA Technical Reports Server (NTRS)

    Zhang, Shouliang; Keller, Lindsay P.

    2011-01-01

    Space weathering effects on lunar soil grains result from both radiation-damaged and deposited layers on grain surfaces. Typically, solar wind irradiation forms an amorphous layer on regolith silicate grains, and induces the formation of surficial metallic Fe in Fe-bearing minerals [1,2]. Impacts into the lunar regolith generate high temperature melts and vapor. The vapor component is largely deposited on the surfaces of lunar soil grains [3] as is a fraction of the melt [4, this work]. Both the vapor-deposits and the deposited melt typically contain nanophase Fe metal particles (npFe0) as abundant inclusions. The development of these rims and the abundance of the npFe0 in lunar regolith, and thus the optical properties, vary with the soil mineralogy and the length of time the soil grains have been exposed to space weathering effects [5]. In this study, we used the density of solar flare particle tracks in soil grains to estimate exposure times for individual grains and then perform nanometer-scale characterization of the rims using transmission electron microscopy (TEM). The work involved study of lunar soil samples with different mineralogy (mare vs. highland) and different exposure times (mature vs. immature).

  16. Surface point defects on bulk oxides: atomically-resolved scanning probe microscopy.

    PubMed

    Setvín, Martin; Wagner, Margareta; Schmid, Michael; Parkinson, Gareth S; Diebold, Ulrike

    2017-03-17

    Metal oxides are abundant in nature and they are some of the most versatile materials for applications ranging from catalysis to novel electronics. The physical and chemical properties of metal oxides are dramatically influenced, and can be judiciously tailored, by defects. Small changes in stoichiometry introduce so-called intrinsic defects, e.g., atomic vacancies and/or interstitials. This review gives an overview of using Scanning Probe Microscopy (SPM), in particular Scanning Tunneling Microscopy (STM), to study the changes in the local geometric and electronic structure related to these intrinsic point defects at the surfaces of metal oxides. Three prototypical systems are discussed: titanium dioxide (TiO2), iron oxides (Fe3O4), and, as an example for a post-transition-metal oxide, indium oxide (In2O3). Each of these three materials prefers a different type of surface point defect: oxygen vacancies, cation vacancies, and cation adatoms, respectively. The different modes of STM imaging and the promising capabilities of non-contact Atomic Force Microscopy (nc-AFM) techniques are discussed, as well as the capability of STM to manipulate single point defects.

  17. Effects of bulk and free surface shear flows on amyloid fibril formation

    NASA Astrophysics Data System (ADS)

    Posada, David; Sorci, Mirco; Belfort, Georges; Hirsa, Amir

    2008-11-01

    Amyloid diseases such as Alzheimer's and Huntington's, among others, are characterized by the conversion of monomers to oligomers (precursors) and then to amyloid fibrils. Besides factors such as concentration, pH, and ionic strength, evidence exists that shearing flow strongly influences amyloid formation in vitro. Also, during fibrillation in the presence of either gas or solid surfaces, both the polarity and roughness of the surfaces play a significant role in the kinetics of the fibrillation process. By studying the nucleation and growth of a model system (insulin fibrils) in a well-defined flow field, we can identify the flow and interfacial conditions that impact protein aggregation kinetics. The present flow system consists of an annular region, bounded by stationary inner and outer cylinders and driven by rotation of the floor, with either a hydrophobic (air) or hydrophilic (solid) interface. We show both the combined and separated effects of shear and interfacial hydrophobicity on the fibrillation process, and the use of interfacial shear viscosity as a parameter for quantifying the oligomerization process.

  18. Surface and Bulk Oscillations of Sessile Drops: Clearing Up Confusion and Understanding Wind Sheared Drops

    NASA Astrophysics Data System (ADS)

    Milne, Andrew J. B.; Defez Garcia, Beatriz; Cabrerizo Vilchez, Miguel; Amirfazli, Alidad

    2011-11-01

    Sessile drop oscillations are studied in the presence of a shearing airflow, and varying body force. The various possibilities for analysis, (center of mass or drop surface oscillations) are elucidated through presenting a unifying analysis framework based on wavenumber, frequency, and fluid properties. This work examines a range of fluid properties in a single study for the first time. A dispersion relation is found relating the frequency of centroid oscillation and capillary-gravity wave number, depending on the ratio (surface tension/liquid density)1/2, drop size- 3 / 2 and contact angle. The effects of contact angle are more complex than previously suggested simplifications, or analytic solutions for axisymetric drops and must at present be treated empirically. The growth of sessile drop oscillations is linear at low air velocities and exponential at higher air velocities. This is explained by drawing analogies to drops experiencing a varying body force, and to wind driven capillary-gravity waves on lakes, respectively. Liquid viscosity retards the growth of the waves, and has other important effects.

  19. Drag and Bulk Transfer Coefficients Over Water Surfaces in Light Winds

    NASA Astrophysics Data System (ADS)

    Wei, Zhongwang; Miyano, Aiko; Sugita, Michiaki

    2016-08-01

    The drag coefficient (CD), experimentally determined from observed wind speed and surface stress, has been reported to increase in the low wind-speed range (<3 m s^{-1}) as wind speed becomes smaller. However, until now, the exact causes for its occurrence have not been determined. Here, possible causes for increased CD values in near-calm conditions are examined using high quality datasets selected from three-year continuous measurements obtained from the centre of Lake Kasumigaura, the second largest lake in Japan. Based on our analysis, suggested causes including (i) measurement errors, (ii) lake currents, (iii) capillary waves, (iv) the possibility of a measurement height within the interfacial/transition sublayer, and (v) a possible mismatch in the representative time scale used for mean and covariance averaging, are not considered major factors. The use of vector-averaged, instead of scalar-averaged, wind speeds and the presence of waves only partially explain the increase in CD under light winds. A small increase in turbulent kinetic energy due to buoyant production at low wind speeds is identified as the likely major cause for this increase in CD in the unstable atmosphere dominant over inland water surfaces.

  20. Ag surface diffusion and out-of-bulk segregation in CrN-Ag nano-composite coatings.

    PubMed

    Incerti, L; Rota, A; Ballestrazzi, A; Gualtieri, E; Valeri, S

    2011-10-01

    CrN-Ag nanocomposite coatings are deposited on Si(100) wafers and 20MnCr5 steel disks in a mixed Ar+N2 atmosphere by reactive magnetron sputtering. Structure, composition and morphology were investigated by Scanning Electron Microscopy (SEM), Auger Electron Spectroscopy (AES), X-ray Photoemission Spectroscopy (XPS), X-ray Diffraction (XRD) and Focused Ion Beam (FIB) cross sectional analysis. The as deposited film matrix is mainly composed by CrN phase (78%), but a relevant part (28%) is composed by Cr2N. Ag agglomerates in the CrN matrix forming elongated grains 200-400 nm wide and 50-100 nm high, which extends on the top of CrN columns. At the surface Ag aggregates into two different structures: large tetrahedral crystalline clusters, with typical dimension ranging from 200 to 500 nm, and smaller Ag nanoparticles with diameter of 15-25 nm. The annealing in N2 atmosphere up to 500 degrees C does not affect size and distribution of the Ag grains in the sub-surface region, while it induces a size increase of the bigger Ag clusters on the surface, mainly related to Ag surface diffusion and clusters coalescence. Annealing at higher temperature leads to an evident Ag out-of-bulk segregation, generating Ag depleted voids in the near-surface region, and further increasing of the Ag clusters size at the surface. Tribological tests on as deposited CrN-Ag film reveal a coefficient of friction against a steel ball reduced with respect to CrN film, probably related to the presence of Ag which acts as solid lubricant, but the coating is removed after a very short sliding distance. The poor mechanical properties of the realized Ag-based coatings are confirmed by lower hardness and Young modulus values with respect to pure CrN.

  1. Theory of light-induced drift. III. Models of surface and bulk light-induced drift in one dimension

    SciTech Connect

    Goodman, Frank O.

    2003-01-01

    Light-induced drift (LID) of a rarefied gas in a cell is studied, and exact analytical closed-form solutions to the model rate equations, which model the gas motion in one dimension, are obtained for cases of both surface LID (SLID) and bulk LID (BLID); the special case of the limit of low radiation absorption by the gas is given particular attention. Similarities and differences among the results for SLID and BLID are discussed. This is part III of a series of papers, parts I and II having studied LID, but concentrating on SLID, with flat-plate and circular-cylindrical cell geometries, respectively [F. O. Goodman, Phys. Rev. A 65, 064309 (2002); 65, 064310 (2002)].

  2. ARPES investigation on the surface vs bulk electronic structures of correlated topological insulators YbB6 and other rare earth hexaborides

    NASA Astrophysics Data System (ADS)

    Xu, Nan; Matt, C. E.; Pomjakushina, E.; Dil, J. H.; Landolt, G.; Ma, J. Z.; Shi, X.; Dhaka, R. S.; Plumb, N. C.; Radovic, M.; Rogalev, V.; Strocov, V.; Kim, T. K.; Hoesch, M.; Conder, K.; Mesot, J.; Ding, H.; Shi, Ming

    2015-03-01

    Using ARPES performed in wide photon energy range we systematically studied the bulk and surface electronic structures of a topological mixed- valence insulator candidate, YbB6. The bulk B-2p states are probed with bulk-sensitive soft X-ray ARPES, exhibiting strong three-dimensionality with the band top locating 80 meV below the EF at the X point. The measured bulk Yb-4f states are located at 1 and 2.3 eV below EF, which hybridize with the dispersive B-2p states. The bulk band structures obtained by experiments are substantially different from the first principle calculations, but it can be better described by adding a correlation parameter U = 7 eV, indicating YbB6 is a correlated system. Using surface-sensitive VUV ARPES, we revealed two-dimensional surface states which form three electron-like FSs with Dirac-cone-like dispersions. The odd number of surface FSs gives the first indication that the surface states are topological non-trivial. The spin-resolved ARPES measurements provide further evidence that these surface states are spin polarized with spin locked to the crystal momentum. Recent results on the TI phase in other rare earth hexaborides will also be shown.

  3. Tailored surface-enhanced Raman nanopillar arrays fabricated by laser-assisted replication for biomolecular detection using organic semiconductor lasers.

    PubMed

    Liu, Xin; Lebedkin, Sergei; Besser, Heino; Pfleging, Wilhelm; Prinz, Stephan; Wissmann, Markus; Schwab, Patrick M; Nazarenko, Irina; Guttmann, Markus; Kappes, Manfred M; Lemmer, Uli

    2015-01-27

    Organic semiconductor distributed feedback (DFB) lasers are of interest as external or chip-integrated excitation sources in the visible spectral range for miniaturized Raman-on-chip biomolecular detection systems. However, the inherently limited excitation power of such lasers as well as oftentimes low analyte concentrations requires efficient Raman detection schemes. We present an approach using surface-enhanced Raman scattering (SERS) substrates, which has the potential to significantly improve the sensitivity of on-chip Raman detection systems. Instead of lithographically fabricated Au/Ag-coated periodic nanostructures on Si/SiO2 wafers, which can provide large SERS enhancements but are expensive and time-consuming to fabricate, we use low-cost and large-area SERS substrates made via laser-assisted nanoreplication. These substrates comprise gold-coated cyclic olefin copolymer (COC) nanopillar arrays, which show an estimated SERS enhancement factor of up to ∼ 10(7). The effect of the nanopillar diameter (60-260 nm) and interpillar spacing (10-190 nm) on the local electromagnetic field enhancement is studied by finite-difference-time-domain (FDTD) modeling. The favorable SERS detection capability of this setup is verified by using rhodamine 6G and adenosine as analytes and an organic semiconductor DFB laser with an emission wavelength of 631.4 nm as the external fiber-coupled excitation source.

  4. Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis.

    PubMed

    Wilde, Markus; Ohno, Satoshi; Ogura, Shohei; Fukutani, Katsuyuki; Matsuzaki, Hiroyuki

    2016-03-29

    Nuclear reaction analysis (NRA) via the resonant (1)H((15)N,αγ)(12)C reaction is a highly effective method of depth profiling that quantitatively and non-destructively reveals the hydrogen density distribution at surfaces, at interfaces, and in the volume of solid materials with high depth resolution. The technique applies a (15)N ion beam of 6.385 MeV provided by an electrostatic accelerator and specifically detects the (1)H isotope in depths up to about 2 μm from the target surface. Surface H coverages are measured with a sensitivity in the order of ~10(13) cm(-2) (~1% of a typical atomic monolayer density) and H volume concentrations with a detection limit of ~10(18) cm(-3) (~100 at. ppm). The near-surface depth resolution is 2-5 nm for surface-normal (15)N ion incidence onto the target and can be enhanced to values below 1 nm for very flat targets by adopting a surface-grazing incidence geometry. The method is versatile and readily applied to any high vacuum compatible homogeneous material with a smooth surface (no pores). Electrically conductive targets usually tolerate the ion beam irradiation with negligible degradation. Hydrogen quantitation and correct depth analysis require knowledge of the elementary composition (besides hydrogen) and mass density of the target material. Especially in combination with ultra-high vacuum methods for in-situ target preparation and characterization, (1)H((15)N,αγ)(12)C NRA is ideally suited for hydrogen analysis at atomically controlled surfaces and nanostructured interfaces. We exemplarily demonstrate here the application of (15)N NRA at the MALT Tandem accelerator facility of the University of Tokyo to (1) quantitatively measure the surface coverage and the bulk concentration of hydrogen in the near-surface region of a H2 exposed Pd(110) single crystal, and (2) to determine the depth location and layer density of hydrogen near the interfaces of thin SiO2 films on Si(100).

  5. Surface flows and bulk mixing by coalescence of dissimilar drops: experiments and numerical simulations

    NASA Astrophysics Data System (ADS)

    Simmons, Mark; Nowak, Emilia; Xie, Zhihua; Pain, Chris; Matar, Omar

    2016-11-01

    Merging of dissimilar drops, being of different size and/or composition is an essential part of multiple promising applications enabling release and mixing of various species in bespoken way. However, till now there is still a lack of understanding of the effect of the various factor involved on the kinetics of coalescence and the rate of mixing of the contents of the drops. This study is aimed at providing a thorough understanding of the merging process immediately after the rupture of the thin liquid film separating the drops initially. The effect of such parameters as the difference in size and surface tension of the merging drops, as well as the viscosity of the surrounding liquid phase, is investigated. Numerical simulations provide a deeper insight into the liquid redistribution during the merging. Their results are in good agreement with the experimental data and will be discussed during the talk. EPSRC UK Programme Grant MEMPHIS (EP/K003976/1).

  6. Interaction of surface and bulk acoustic waves with a two-dimensional semimetal

    SciTech Connect

    Kovalev, V. M. Chaplik, A. V.

    2015-02-15

    The interaction of a surface elastic Rayleigh wave with an electron-hole plasma in a two-dimensional semimetal has been theoretically studied as determined by the deformation potential and piezoelectric mechanisms. Dispersion equations describing the coupled plasmon-acoustic modes for both types of interaction are derived, and damping of the Rayleigh wave is calculated. The damping of the acoustic and optical plasmon modes, which is related to the sound emission by plasma oscillations into the substrate volume, is calculated and it is shown that this sound emission is predominantly determined by the acoustic plasmon mode in the case of a deformation potential mechanism and by the optical mode in the case of a piezoelectric mechanism.

  7. Bulk and surface structural investigations of diesel engine soot and carbon black.

    PubMed

    Müller, J-O; Su, D S; Wild, U; Schlögl, R

    2007-08-14

    The microstructure and electronic structure of environmentally relevant carbons such as Euro IV heavy duty diesel engine soot, soot from a black smoking diesel engine, spark discharge soot as model aerosol, commercial furnace soot and lamp black are investigated by transmission electron microscopy, electron energy-loss spectroscopy and X-ray photoelectron spectroscopy. The materials exhibit differences in the predominant bonding, which influences microstructure as well as surface functionalization. These chemical and physical properties depend on the formation history of the investigated carbonaceous materials. In this work, a correlation of the microstructure of the samples to the predominant bonding and incorporation of oxygen into the carbons is obtained. It is shown that a high amount of defects and the deviation of the carbons from a perfect graphitic structure results in a increased incorporation of oxygen and hydrogen. A correlation between the length and curvature of graphene layers with the bonding state of carbon atoms and incorporation of oxygen and hydrogen is established.

  8. Revealing the surface and bulk regimes of isothermal graphene growth on Ni with in situ kinetic measurements and modeling

    SciTech Connect

    Puretzky, Alexander A; Merkulov, Igor A; Rouleau, Christopher M; Eres, Gyula; Geohegan, David B

    2014-01-01

    In situ optical diagnostics are used to reveal the isothermal nucleation and growth mechanisms of graphene on Ni across a wide temperature range (560 C < T < 840 C) by chemical vapor deposition from single, sub-second pulses of acetylene. An abrupt, two-orders of magnitude change in growth times (~ 100s to 1s) is revealed at T = 680 C. Below and above this temperature, similar sigmoidal kinetics are measured and attributed to autocatalytic growth reactions but by two different mechanisms, surface assembly and dissolution/precipitation, respectively. These data are used to develop a simple and general kinetic model for graphene growth that includes the nucleation phase and includes the effects of carbon solubility in metals, describes delayed nucleation, and allows the interpretation of the competition between surface and bulk growth modes. The sharp transition in growth kinetics at T = 680 C is explained by a change in defect site density required for nucleation due to a transition in the carbon-induced mobility of the Ni surface. The easily-implemented optical reflectivity diagnostics and the simple kinetic model described here allow a pathway to optimize the growth of graphene on metals with arbitrary carbon solubility.

  9. Detection of DNA hybridisation in a diluted serum matrix by surface plasmon resonance and film bulk acoustic resonators.

    PubMed

    Auer, Sanna; Nirschl, Martin; Schreiter, Matthias; Vikholm-Lundin, Inger

    2011-05-01

    Nanomolar quantities of single-stranded DNA products ~100 nucleotides long can be detected in diluted 1% serum by surface plasmon resonance (SPR) and film bulk acoustic resonators (FBARs). We have used a novel FBAR sensor in parallel with SPR and obtained promising results with both the acoustic and the optical device. Oligonucleotides and a repellent lipoamide, Lipa-DEA, were allowed to assemble on the sensor chip surfaces for only 15 min by dispensing. Lipa-DEA surrounds the analyte-binding probes on the surface and effectively reduces the non-specific binding of bovine serum albumin and non-complementary strands. In a highly diluted serum matrix, the non-specific binding is, however, a hindrance, and the background response must be reduced. Nanomolar concentrations of short complementary oligos could be detected in buffer, whereas the response was too low to be measured in serum. DNA strands that are approximately 100 base pairs long at concentrations as low as 1-nM could be detected both in buffer and in 1% serum by both SPR and the FBAR resonator.

  10. The half-metallicity of the Co2FeSi full Heusler alloy in bulk, clean surface and interfaces with Si ; first-principles investigation

    NASA Astrophysics Data System (ADS)

    Kim, Miyoung; Lim, Hanjo; Lee, Jaeil

    2010-03-01

    We report the ab-initio calculational results on the half-metallicity of Co2FeSi full Heusler alloys in bulk, (001) surfaces and interface with Si. Employing the +U corrections within the FLAPW[1] method, we investigate the effect of correlation interaction on half-metallicity and magnetic properties. For bulk, the +U approach reproduces experimental values of the minority spin band gap and total spin magnetic moment. The (001) surfaces and interfaces with Si are calculated to be metallic by both LDA and GGA due to the surface and interface states developed at EF. Upon +U correction, the Co-terminated clean surface recovers half-metallicity with a reduced band gap (0.40 eV) from the bulk value while the rest of the systems are still metallic, which can be explained by the correlation and hybridization effects. [1] E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, PRB 24, 864 (1981).

  11. Microstructure-sensitive weighted probability approach for modeling surface to bulk transition of high cycle fatigue failures dominated by primary inclusions

    NASA Astrophysics Data System (ADS)

    Salajegheh, Nima

    The mechanical alloying and casting processes used to make polycrystalline metallic materials often introduce undesirable non-metallic inclusions and pores. These are often the dominant sites of fatigue failure origination at the low stress amplitudes that correspond to the high cycle fatigue (HCF) and very high cycle fatigue (VHCF) regimes, in which the number of cycles to crack initiation is more than 106. HCF and VHCF experiments on some advanced metallic alloys, such as powder metallurgy Ni-base superalloys, titanium alloys, and high-strength steels have shown that the critical inclusions and pores can appear on the surface as well as in the bulk of the specimen. Fatigue lives have been much higher for specimens that fail from a bulk site. The relative number of bulk initiations increases as the stress amplitude decreases such that just below the traditional HCF limit, fatigue life data appears to be evenly scattered between two datasets corresponding to surface and bulk initiations. This is often referred to as surface to bulk transition in the VHCF regime. Below this transition stress, the likelihood of surface versus bulk initiation significantly impacts the low failure probability estimate of fatigue life. Under these circumstances, a large number of very costly experiments need to be conducted to obtain a statistically representative distribution of fatigue life and to predict the surface versus bulk initiation probability. In this thesis, we pursue a simulation-based approach whereby microstructure-sensitive finite element simulations are performed within a statistical construct to examine the VHCF life variability and assess the surface initiation probability. The methodology introduced in this thesis lends itself as a cost-effective platform for development of microstructure-property relations to support design of new or modified alloys, or to more efficiently predict the properties of existing alloys.

  12. The effect of surface conditions on the work function of insulators and semiconductors

    NASA Technical Reports Server (NTRS)

    George, A.

    1973-01-01

    Ionization energies of organic semiconductors were determined using single crystals of the material. The theory of the method is essentially that of Millikan's oil drop experiment. The technique employed in the experiment is based on the electrostatic method of balancing a charged particle in an electric field against the force of gravity for different excitation energies above the threshold value, and from an estimate of the balancing voltages, read off the ionization energy from the intercept of the energy axis in a plot wavelength corresponding to the balancing potential for the incident radiation of wavelength. In the modified technique which is adopted in the present experimental investigation, a small single crystal is suspended by a fine quartz fiber between two vertical capacitor plates to which a suitable high voltage is applied.

  13. Semiconductor millimeter and centimeter wave radiometer for the study of the radiation of an underlying surface

    NASA Technical Reports Server (NTRS)

    Bordonskiy, G. S.; Zazinov, A. N.; Kirsanov, Y. A.; Kravchenko, M. K.; Khapin, Y. B.; Sharapov, A. N.; Etkin, V. S.

    1979-01-01

    A theoretical and experimental investigation of a superheterodyne radiometer system with input frequency converter and intermediate frequency modulation is presented. Conditions are found, at which the temperature sensitivity of the device does not deteriorate. A sensitivity function to external parameters (temperature, heterodyne power) of a radiometer system with intermediate frequency modulation and a Schottky diode frequency converter is presented and calculated. Use of a frequency converter at the second harmonic of the heterodyne permitted simplication of the radiometer design and the use of a semiconductor heterodyne. A 3 cm range intermediate frequency amplifier permitted the use of centimeter wave radiometer signals. Fluctuation sensitivity of radiometers with a 1 sec time constant is 0.3 K at 3.4 mm and 0.06 K at 3 cm.

  14. Growth of organic films on semiconductor surfaces: Fundamental reactivity studies and molecular layer deposition involving isocyanates and isothiocyanates

    NASA Astrophysics Data System (ADS)

    Loscutoff, Paul W.

    The continued pursuit of smaller device dimensions by the semiconductor industry has led to an increased interest in functional organic films. Organics have great potential as advanced materials, owing to the versatility of organic moieties and vast knowledge base of organic reactivity. In order to implement organic films into semiconductor devices, the inorganic/organic hybrid interfaces must be investigated, so that the reactivity at these pivotal features is well-known. In this work organic films are studied in two environments: the Ge(100)-2x1 surface and the SiO2 surface. The reconstructed Ge(100)-2x1 surface offers a well-defined substrate, ideal for fundamental reactivity studies. Organic reactants are deposited under ultrahigh vacuum conditions, allowing reactions between gas-phase organic molecules and the surface to be isolated and analyzed by in situ spectroscopic techniques. By use of infrared (IR) spectroscopy, x-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) modeling, we investigate the reactivity of phenyl and tert-butyl isocyanate and isothiocyanate at the Ge(100)-2x1 surface. The isocyanate and isothiocyanate moieties are both highly reactive groups consisting of a cumulated double bond containing two heteroatoms, allowing for many potential products with the Ge surface. We find that dative bonding through the heteroatoms plays an important role in the surface reactions, functioning as either reaction intermediates or final products depending on the adsorbate. Various cycloaddition products are also observed at the surface, with prominent reactivity trends resulting from the differences in oxygen and sulfur reactivity. In order to study the practical implementation of organic films, molecular layer deposition (MLD) reactions are studied on the hydroxlyated SiO 2 surface. MLD is a layer-by-layer technique, where films are deposited one molecular unit at a time, allowing for film tailorability and composition control down to

  15. 3D printed glass: surface finish and bulk properties as a function of the printing process

    NASA Astrophysics Data System (ADS)

    Klein, Susanne; Avery, Michael P.; Richardson, Robert; Bartlett, Paul; Frei, Regina; Simske, Steven

    2015-03-01

    It is impossible to print glass directly from a melt, layer by layer. Glass is not only very sensitive to temperature gradients between different layers but also to the cooling process. To achieve a glass state the melt, has to be cooled rapidly to avoid crystallization of the material and then annealed to remove cooling induced stress. In 3D-printing of glass the objects are shaped at room temperature and then fired. The material properties of the final objects are crucially dependent on the frit size of the glass powder used during shaping, the chemical formula of the binder and the firing procedure. For frit sizes below 250 μm, we seem to find a constant volume of pores of less than 5%. Decreasing frit size leads to an increase in the number of pores which then leads to an increase of opacity. The two different binders, 2- hydroxyethyl cellulose and carboxymethylcellulose sodium salt, generate very different porosities. The porosity of samples with 2-hydroxyethyl cellulose is similar to frit-only samples, whereas carboxymethylcellulose sodium salt creates a glass foam. The surface finish is determined by the material the glass comes into contact with during firing.

  16. Solar Wind He and Ne - Implications of Surface Studies and Preliminary Data from Bulk Metallic Glass Flown on GENESIS

    NASA Astrophysics Data System (ADS)

    Grimberg, A.; Heber, V. S.; Homan, O. J.; Hays, C. C.; Jurewicz, A. J.; Burnett, D. S.; Baur, H.; Wieler, R.

    2005-12-01

    The Bulk Metallic Glass (BMG) flown on GENESIS is one of only a few target materials that survived the impact landing without major damage. Some scratches have led to localized noble gas loss but most particles do not harm He and Ne analyses due to their low gas content. To date, He and Ne isotopes from bulk solar wind in the BMG have been measured but precision will be improved. Preliminary data from pyrolysis extraction confirm previous values measured in SWC foils exposed on the lunar surface. However, the 4He/3He ratio of 2430 ±120 and the 20Ne/22Ne of 13.75 ±0.1 are slightly heavier than the SWC average. First measurements done with UV-laser ablation show higher 3He contents and an even heavier 20Ne/22Ne ratio of 14.04 ±0.1. Ne ratios are corrected for backscatter losses with a factor of 1.015 as calculated by TRIM whereas He correction factors are still not verified yet. The search for the He and Ne composition of Solar Energetic Particles (SEP) with stepwise etching has not been yet successful due to a molecular contamination (brown stain). This film was deposited on the BMG surface in space and is resistant to HNO3, the most suitable acid for homogeneous BMG etching. Extensive X-ray photoelectron spectroscopy (XPS) analyses have been carried out on 90 spots covering the entire surface to determine composition and distribution of this brown stain. These data show that the brown stain is an ubiquitous organic layer mainly consisting of Si, C, O and minor F. Since the BMG element Zr is always visible in the XPS spectra, contamination at the measured spots is very unlikely to be thicker than 10 nm. Ultrasonic cleaning of the surface with common solvents removed about 50 % of the particles but did not affect the brown stain. Moreover it led to an apparent gas loss of ~30 % for He. Cleaning with oxygen plasma lowered the carbon-signal in the XPS spectra, however it did not remove the brown stain either. A combination of oxygen plasma ashing followed by plasma

  17. Characterization of Surface and Bulk Nitrates of γ-Al2O3-Supported Alkaline Earth Oxides using Density Functional Theory

    SciTech Connect

    Mei, Donghai; Ge, Qingfeng; Kwak, Ja Hun; Kim, Do Heui; Verrier, Christelle M.; Szanyi, Janos; Peden, Charles HF

    2009-05-14

    Surface" and "bulk" nitrates formed on a series of alkaline earth oxides (AEOs), AE(NO3)2, were investigated using first-principles density functional theory calculations. The formation of these surface and bulk nitrates was modeled by the adsorption of NO2+NO3 pairs on gamma-Al2O3-supported monomeric AEOs (MgO, CaO, SrO, and BaO) and on the extended AEO(001) surfaces, respectively. The calculated vibrational frequencies of the surface and bulk nitrates based on our proposed models are in good agreement with experimental measurements of AEO/gamma-Al2O3 materials after prolonged NO2 exposure. This indicates that experimentally observed "surface" nitrates are most likely formed with isolated two dimensional (including monomeric) AEO clusters on the gamma-Al2O3 substrate, while the "bulk" nitrates are formed on exposed (including (001)) surfaces (and likely in the bulk as well) of large three dimensional AEO particles supported on the gamma-Al2O3 substrate. Also in line with the experiments, our calculations show that the low and high frequency components of the vibrations for both surface and bulk nitrates are systematically red shifted with the increasing basicity and cationic size of the AEOs. The adsorption strengths of NO2+NO3 pairs are nearly the same for the series of alumina-supported monomeric AEOs, while the adsorption strengths of NO2+NO3 pairs on the AEO surfaces increase in the order of MgO < CaO < SrO ~ BaO. Compared to the NO2+NO3 pair that only interacts with monomeric AEOs, the stability of NO2+NO3 pairs that interact with both the monomeric AEO and the gamma-Al2O3 substrate is enhanced by about 0.5 eV. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  18. Activated carbon enhanced ozonation of oxalate attributed to HO oxidation in bulk solution and surface oxidation: effect of activated carbon dosage and pH.

    PubMed

    Xing, Linlin; Xie, Yongbing; Minakata, Daisuke; Cao, Hongbin; Xiao, Jiadong; Zhang, Yi; Crittenden, John C

    2014-10-01

    Ozonation of oxalate in aqueous phase was performed with a commercial activated carbon (AC) in this work. The effect of AC dosage and solution pH on the contribution of hydroxyl radicals (HO) in bulk solution and oxidation on the AC surface to the removal of oxalate was studied. We found that the removal of oxalate was reduced by tert-butyl alcohol (tBA) with low dosages of AC, while it was hardly affected by tBA when the AC dosage was greater than 0.3g/L. tBA also inhibited ozone decomposition when the AC dosage was no more than 0.05g/L, but it did not work when the AC dosage was no less than 0.1g/L. These observations indicate that HO in bulk solution and oxidation on the AC surface both contribute to the removal of oxalate. HO oxidation in bulk solution is significant when the dosage of AC is low, whereas surface oxidation is dominant when the dosage of AC is high. The oxalate removal decreased with increasing pH of the solution with an AC dosage of 0.5g/L. The degradation of oxalate occurs mainly through surface oxidation in acid and neutral solution, but through HO oxidation in basic bulk solution. A mechanism involving both HO oxidation in bulk solution and surface oxidation was proposed for AC enhanced ozonation of oxalate.

  19. Separation of quantum oscillations from bulk and topological surface states in metallic Bi2Se2.1Te0.9

    NASA Astrophysics Data System (ADS)

    Lorenz, Bernd; Shrestha, Keshav; Graf, David E.; Marinova, Vera; Chu, Paul C. W.

    Shubnikov-de Haas (SdH) oscillations in metallic Bi2Se2.1Te0.9 are studied in magnetic fields up to 35 Tesla. It is demonstrated that two characteristic frequencies determine the quantum oscillations of the conductivity. Angle dependent measurements and calculations of the Berry phase show that the two frequencies F1 and F2 describe oscillations from surface and bulk carriers, respectively. At low magnetic fields, only SdH oscillation from topological surface states can be detected whereas at high magnetic field the bulk oscillations dominate. The origin of the separation of bulk and surface SdH oscillations into different magnetic field ranges is revealed in the difference of the cyclotron masses mc. The bulk mc is nearly three times larger than the surface cyclotron mass resulting in a stronger attenuation of the bulk oscillation amplitude upon decreasing magnetic field. This makes it possible to detect and characterize the surface SdH oscillations in the low-field range. Supported by the T.L.L. Temple Foundation, the J.J. and R. Moores Endowment, the State of Texas through TCSUH, the US Air Force Office of Scientific Research, the Bulgarian Science Fund, the National Science Foundation, and the State of Florida.

  20. Inhibiting device degradation induced by surface damages during top-down fabrication of semiconductor devices with micro/nano-scale pillars and holes

    NASA Astrophysics Data System (ADS)

    Mayet, Ahmed S.; Cansizoglu, Hilal; Gao, Yang; Kaya, Ahmet; Ghandiparsi, Soroush; Yamada, Toshishige; Wang, Shih-Yuan; Islam, M. Saif

    2016-09-01

    High-aspect ratio semiconductor pillar- and hole-based structures are being investigated for photovoltaics, energy harvesting devices, transistors, and sensors. The fabrication of pillars and holes frequently involves top-down fabrication (such as dry etching) of semiconductors. Such a process contributes to different types of crystalline defects including vacancies, interstitials, dislocations, stacking faults, surface roughness, impurities, and charging effects. These defects contribute to degraded device characteristics impacting detection sensitivity, energy conversion efficiency, etc. In this presentation, we review dry-etched semiconductor devices and demonstrate several possible methods to inhibit device degradation induced by surface damage. These methods include hydrogen passivation, the growth of oxide passivating thin films using wet furnace growth, and low-ion energy etching. These methods contributed to a leakage current reduction by as much as four orders of magnitude.

  1. STUDY OF SURFACE PROPERTIES OF ATOMICALLY-CLEAN METALS AND SEMICONDUCTORS.

    DTIC Science & Technology

    photosorptive effects were observed. In cadmium selenide clean (0001)Cd surfaces were prepared whose properties and chemisorptive behavior were similar to those observed on Cd surfaces of cadmium sulfide. (Author)

  2. Giant ambipolar Rashba effect in the semiconductor BiTeI.

    PubMed

    Crepaldi, A; Moreschini, L; Autès, G; Tournier-Colletta, C; Moser, S; Virk, N; Berger, H; Bugnon, Ph; Chang, Y J; Kern, K; Bostwick, A; Rotenberg, E; Yazyev, O V; Grioni, M

    2012-08-31

    We observe a giant spin-orbit splitting in the bulk and surface states of the noncentrosymmetric semiconductor BiTeI. We show that the Fermi level can be placed in the valence or in the conduction band by controlling the surface termination. In both cases, it intersects spin-polarized bands, in the corresponding surface depletion and accumulation layers. The momentum splitting of these bands is not affected by adsorbate-induced changes in the surface potential. These findings demonstrate that two properties crucial for enabling semiconductor-based spin electronics-a large, robust spin splitting and ambipolar conduction-are present in this material.

  3. Interaction and photochemical decomposition of hydroperoxides at water ice surfaces and in bulk ice

    NASA Astrophysics Data System (ADS)

    Schrems, O.; Gand, M.; Ignatov, S. K.; Gadzhiev, O. B.; Cisami

    2011-12-01

    Hydroperoxides are important tropospheric trace gases as they are an important source of OH radicals. The simplest in this class is methyl hydroperoxide (CH3OOH) which is a product of methane oxidation by OH and HO2 radicals. Sinks of CH3OOH are photolysis, reactions with OH radicals or dry and wet deposition. Laboratory studies have shown that CH3OOH absorbs strongly over the region between 200 and 360 nm resulting in excitation to a dissociative electronic excited state. The pathway with the lowest threshold energy involves single bond cleavage giving rise to the CH3O + OH radical products. Our recent measurements at Neumayer station in Antarctica [1] have shown that CH3OOH mixing ratios during the polar day are considerably higher than during the polar night and correlate with UV radiation. Snow and ice-covered regions are huge sinks for tropospheric trace gases. For hydrogen peroxide and methyl hydroperoxide we have studied the low-temperature interaction of CH3OOH with the hexagonal water ice surface using DFT (BLYP/6-31++G(d,p) and B3LYP/6-311++G(2d,2p)) calculations [2, 3]. In these calculations we used the extended cluster models up to (H2O)48, (H2O)56, and (H2O)72 for the various modes of hydroperoxide coordination on different ice crystal planes and incorporation inside the ice [3]. Also, the effect of orientational isomerism of hydrogen bond network inside the water ice was investigated [2]. In laboratory experiments we have simulated the UV photochemistry of CH3OOH trapped in ice (H2O and D2O) at 14 K. The photoproducts (CH2O, HCO, CO, CO2) formed in the ice have been identified by means of FTIR spectroscopy. [1] Riedel K., Weller R., Schrems O., König-Langlo G., Atmos.Environ., 2000,34, 5225-5234. [2] Ignatov S.K., Razuvaev A.G., Sennikov P.G., Schrems O., J.Mol.Struct.(THEOCHEM), 2009, 908,47-54. [3] Ignatov S.K., Gadzhiev O.B., Kulikov M.Yu., Petrov A.I., Razuvaev A.G., Gand M., Feigin A.M., Schrems O., J.Phys.Chem.C, 2011, 115, 9081-9089.

  4. Evidence for coexistence of Rashba and Dresselhaus effect on semiconductor

    NASA Astrophysics Data System (ADS)

    Jung, Wonsig; Jo, S. H.; Kim, B. Y.; Leandersson, M.; Thiagarajan, B.; Hong, J. S.; Shim, J. H.; Kim, Changyoung

    2014-03-01

    We have performed preliminary circular dichroism angle-resolved photoemission spectroscopy (ARPES) experiments on InSb. Our results show very strong circular dichroism (CD) signal, indicating probable existence of orbital angular momentum (OAM). Non-zero OAM in zincblend semiconductor can appear when there is an inversion symmetry breaking (IBS) in the bulk and on the surface. We find that the dichroism has momentum and band dependence. The CD modulations can be the evidence for coexistence of Rashba and Dresselhaus effect on semiconductor.

  5. Improving Variational Estimation of Surface Turbulent Fluxes Through Characterizing the Effect of Vegetation Dynamics on the Bulk Heat Transfer

    NASA Astrophysics Data System (ADS)

    Farhadi, L.; Abdolghafoorian, A.; Bateni, S. M.

    2015-12-01

    Estimation of turbulent heat fluxes by assimilating sequences of land surface temperature (LST) observations into a variational data assimilation (VDA) framework has been the subject of numerous studies. The VDA approaches are focused on the estimation of two key parameters that regulate the partitioning of available energy between sensible and latent heat fluxes. These two unknown parameters are neutral bulk heat transfer coefficient (CHN) (that scales the sum of the turbulent heat fluxes) and evaporative fraction (EF) (that scales partitioning between the turbulent heat fluxes). CHN mainly depends on the roughness of the surface and varies on the time scales of changing vegetation phenology. The existing VDA methods assumed that the variations in vegetation phenology over the period of one month are negligible and took CHN as a monthly constant parameter. However, during the growing season, bare soil may turn into a fully vegetated surface within a few weeks. Thus, assuming a constant CHN value may result in a significant amount of error in the estimation of surface fluxes, especially in regions with a high temporal variation in vegetation cover. In this study, we advance the VDA approach by taking CHN as a function of leaf area index (LAI), which allows us to characterize the dynamic effect of vegetation phenology on CHN. The performance of the new VDA model is tested over four field sites, namely Brookings, Audubon, and Bondville in the US and Daman in China. The results show that the new model outperforms the previous one and decreases the root-mean-square-error (RMSE) in sensible and latent heat flux estimates across the four sites on average by 31% and 19% respectively.

  6. Improving Variational Estimation of Surface Turbulent Fluxes Through Characterizing the Effect of Vegetation Dynamics on the Bulk Heat Transfer

    NASA Astrophysics Data System (ADS)

    Farhadi, L.; Abdolghafoorian, A.; Bateni, S. M.

    2014-12-01

    Estimation of turbulent heat fluxes by assimilating sequences of land surface temperature (LST) observations into a variational data assimilation (VDA) framework has been the subject of numerous studies. The VDA approaches are focused on the estimation of two key parameters that regulate the partitioning of available energy between sensible and latent heat fluxes. These two unknown parameters are neutral bulk heat transfer coefficient (CHN) (that scales the sum of the turbulent heat fluxes) and evaporative fraction (EF) (that scales partitioning between the turbulent heat fluxes). CHN mainly depends on the roughness of the surface and varies on the time scales of changing vegetation phenology. The existing VDA methods assumed that the variations in vegetation phenology over the period of one month are negligible and took CHN as a monthly constant parameter. However, during the growing season, bare soil may turn into a fully vegetated surface within a few weeks. Thus, assuming a constant CHN value may result in a significant amount of error in the estimation of surface fluxes, especially in regions with a high temporal variation in vegetation cover. In this study, we advance the VDA approach by taking CHN as a function of leaf area index (LAI), which allows us to characterize the dynamic effect of vegetation phenology on CHN. The performance of the new VDA model is tested over four field sites, namely Brookings, Audubon, and Bondville in the US and Daman in China. The results show that the new model outperforms the previous one and decreases the root-mean-square-error (RMSE) in sensible and latent heat flux estimates across the four sites on average by 31% and 19% respectively.

  7. Improving the Accuracy of Satellite Sea Surface Temperature Measurements by Explicitly Accounting for the Bulk-Skin Temperature Difference

    NASA Technical Reports Server (NTRS)

    Wick, Gary A.; Emery, William J.; Castro, Sandra L.; Lindstrom, Eric (Technical Monitor)

    2002-01-01

    The focus of this research was to determine whether the accuracy of satellite measurements of sea surface temperature (SST) could be improved by explicitly accounting for the complex temperature gradients at the surface of the ocean associated with the cool skin and diurnal warm layers. To achieve this goal, work was performed in two different major areas. The first centered on the development and deployment of low-cost infrared radiometers to enable the direct validation of satellite measurements of skin temperature. The second involved a modeling and data analysis effort whereby modeled near-surface temperature profiles were integrated into the retrieval of bulk SST estimates from existing satellite data. Under the first work area, two different seagoing infrared radiometers were designed and fabricated and the first of these was deployed on research ships during two major experiments. Analyses of these data contributed significantly to the Ph.D. thesis of one graduate student and these results are currently being converted into a journal publication. The results of the second portion of work demonstrated that, with presently available models and heat flux estimates, accuracy improvements in SST retrievals associated with better physical treatment of the near-surface layer were partially balanced by uncertainties in the models and extra required input data. While no significant accuracy improvement was observed in this experiment, the results are very encouraging for future applications where improved models and coincident environmental data will be available. These results are included in a manuscript undergoing final review with the Journal of Atmospheric and Oceanic Technology.

  8. Error estimations of dry deposition velocities of air pollutants using bulk sea surface temperature under common assumptions

    NASA Astrophysics Data System (ADS)

    Lan, Yung-Yao; Tsuang, Ben-Jei; Keenlyside, Noel; Wang, Shu-Lun; Arthur Chen, Chen-Tung; Wang, Bin-Jye; Liu, Tsun-Hsien

    2010-07-01

    It is well known that skin sea surface temperature (SSST) is different from bulk sea surface temperature (BSST) by a few tenths of a degree Celsius. However, the extent of the error associated with dry deposition (or uptake) estimation by using BSST is not well known. This study tries to conduct such an evaluation using the on-board observation data over the South China Sea in the summers of 2004 and 2006. It was found that when a warm layer occurred, the deposition velocities using BSST were underestimated within the range of 0.8-4.3%, and the absorbed sea surface heat flux was overestimated by 21 W m -2. In contrast, under cool skin only conditions, the deposition velocities using BSST were overestimated within the range of 0.5-2.0%, varying with pollutants and the absorbed sea surface heat flux was underestimated also by 21 W m -2. Scale analysis shows that for a slightly soluble gas (e.g., NO 2, NO and CO), the error in the solubility estimation using BSST is the major source of the error in dry deposition estimation. For a highly soluble gas (e.g., SO 2), the error in the estimation of turbulent heat fluxes and, consequently, aerodynamic resistance and gas-phase film resistance using BSST is the major source of the total error. In contrast, for a medium soluble gas (e.g., O 3 and CO 2) both the errors from the estimations of the solubility and aerodynamic resistance are important. In addition, deposition estimations using various assumptions are discussed. The largest uncertainty is from the parameterizations for chemical enhancement factors. Other important areas of uncertainty include: (1) various parameterizations for gas-transfer velocity; (2) neutral-atmosphere assumption; (3) using BSST as SST, and (4) constant pH value assumption.

  9. A laser probe based on a Sagnac interferometer with fast mechanical scan for RF surface and bulk acoustic wave devices.

    PubMed

    Hashimoto, Ken-ya; Kashiwa, Keiskue; Wu, Nan; Omori, Tatsuya; Yamaguchi, Masatsune; Takano, Osamu; Meguro, Sakae; Akahane, Koichi

    2011-01-01

    This paper describes the development of a phasesensitive laser probe with fast mechanical scan for RF surface and bulk acoustic wave (SAW/BAW) devices. The Sagnac interferometer composed of micro-optic elements was introduced for the selective detection of RF vertical motion associated with RF SAW/BAW propagation and vibration. A high-pass characteristic of the interferometer makes the measurement very insensitive to low-frequency vibration. This feature allows us to apply the fast mechanical scan to the interferometric measurement without badly sacrificing its SNR and spatial resolution. The system was applied to the visualization of a field pattern on the vibrating surface of an RF BAW resonator operating in the 2 GHz range. The field pattern was obtained in 17 min as a 2-D image (500 × 750 pixel with 0.4 μm resolution and SNR of 40 dB). The system was also applied to the characterization of an RF SAW resonator operating in the 1 GHz range, and the applicability of the system was demonstrated.

  10. Time-Resolved Imaging of Material Response Following Laser-Induced Breakdown in the Bulk and Surface of Fused Silica

    SciTech Connect

    Raman, R N; Negres, R A; DeMange, P; Demos, S G

    2010-02-04

    Optical components within high energy laser systems are susceptible to laser-induced material modification when the breakdown threshold is exceeded or damage is initiated by pre-existing impurities or defects. These modifications are the result of exposure to extreme conditions involving the generation of high temperatures and pressures and occur on a volumetric scale of the order of a few cubic microns. The response of the material following localized energy deposition, including the timeline of events and the individual processes involved during this timeline, is still largely unknown. In this work, we investigate the events taking place during the entire timeline in both bulk and surface damage in fused silica using a set of time-resolved microscopy systems. These microscope systems offer up to 1 micron spatial resolution when imaging static or dynamic effects, allowing for imaging of the entire process with adequate temporal and spatial resolution. These systems incorporate various pump-probe geometries designed to optimize the sensitivity for detecting individual aspects of the process such as the propagation of shock waves, near-surface material motion, the speed of ejecta, and material transformations. The experimental results indicate that the material response can be separated into distinct phases, some terminating within a few tens of nanoseconds but some extending up to about 100 microseconds. Overall the results demonstrate that the final characteristics of the modified region depend on the material response to the energy deposition and not on the laser parameters.

  11. Evolution of the Novalux extended cavity surface-emitting semiconductor laser (NECSEL)

    NASA Astrophysics Data System (ADS)

    McInerney, John G.

    2016-03-01

    Novalux Inc was an enterprise founded by Aram Mooradian in 1998 to commercialise a novel electrically pumped vertical extended cavity semiconductor laser platform, initially aiming to produce pump lasers for optical fiber telecommunication networks. Following successful major investment in 2000, the company developed a range of single- and multi-mode 980 nm pump lasers emitting from 100-500 mW with excellent beam quality and efficiency. This rapid development required solution of several significant problems in chip and external cavity design, substrate and DBR mirror optimization, thermal engineering and mode selection. Output coupling to single mode fiber was exceptional. Following the collapse of the long haul telecom market in late 2001, a major reorientation of effort was undertaken, initially to develop compact 60-100 mW hybrid monolithically integrated pumplets for metro/local amplified networks, then to frequency-doubled blue light emitters for biotech, reprographics and general scientific applications. During 2001-3 I worked at Novalux on a career break from University College Cork, first as R&D Director managing a small group tasked with producing new capabilities and product options based on the NECSEL platform, including high power, pulsed and frequency doubled versions, then in 2002 as Director of New Product Realization managing the full engineering team, leading the transition to frequency doubled products.

  12. Time dependence of FEL-induced surface photovoltage on semiconductor interfaces measured with synchroton radiation photoemission spectroscopy

    SciTech Connect

    Marsi, M.; Delboulbe, A.; Garzella, D.

    1995-12-31

    During the last year, the first surface science experiments simultaneously using a Free Electron Laser (FEL) and Synchrotron Radiation (SR) have been performed on SuperACO at LURE (Orsay, France). These {open_quotes}two color{close_quotes} experiments studied the surface photovoltage (SPV) induced on semiconductor surfaces and interfaces by the SuperACO FEL, a storage ring FEL delivering 350 nm photons which am naturally synchronized with the SR; the SPV was measured by synchrotron radiation core-level photoemission spectroscopy on the high-resolution SU3 undulator beamline. We will describe the experimental setup, which allowed us to convey the FEL light onto the samples sitting in the SU3 experimental station by means of a series of mirrors, and show the results we obtained for prototypical systems such as Ag/GaAs(110) and Si(111) 2 x 1. The dependence of the SPV was studied in function of various parameters, changing sample doping and photon flux; but our efforts were mainly devoted to studying its dependence on the time delay between the FEL pump and the SR probe. On SuperACO, such delay can be varied between 1 and 120 ns, the limits being given by the time duration of a SR pulse and by the interval between two consecutive positron bunches, respectively. The results show a clear temporal dependence of the amount of SPV on cleaved Si surfaces, where as the Ag/GaAs(110) does not show any difference on the ns time scale. We will discuss these results in terms of the role of surface recombination in the dynamics of the photoinduced electron-hole pairs. These studies follow the evolution of the density of electrostatic charge at surfaces and interfaces on a nanosecond time scale, and might pave the way for a new series of experiments: for example, one might explore what are the physical mechanisms limiting the time response of Schottky diodes.

  13. Multiphase chemical kinetics of OH radical uptake by molecular organic markers of biomass burning aerosols: humidity and temperature dependence, surface reaction, and bulk diffusion.

    PubMed

    Arangio, Andrea M; Slade, Jonathan H; Berkemeier, Thomas; Pöschl, Ulrich; Knopf, Daniel A; Shiraiwa, Manabu

    2015-05-14

    Multiphase reactions of OH radicals are among the most important pathways of chemical aging of organic aerosols in the atmosphere. Reactive uptake of OH by organic compounds has been observed in a number of studies, but the kinetics of mass transport and chemical reaction are still not fully understood. Here we apply the kinetic multilayer model of gas-particle interactions (KM-GAP) to experimental data from OH exposure studies of levoglucosan and abietic acid, which serve as surrogates and molecular markers of biomass burning aerosol (BBA). The model accounts for gas-phase diffusion within a cylindrical coated-wall flow tube, reversible adsorption of OH, surface-bulk exchange, bulk diffusion, and chemical reactions at the surface and in the bulk of the condensed phase. The nonlinear dependence of OH uptake coefficients on reactant concentrations and time can be reproduced by KM-GAP. We find that the bulk diffusion coefficient of the organic molecules is approximately 10(-16) cm(2) s(-1), reflecting an amorphous semisolid state of the organic substrates. The OH uptake is governed by reaction at or near the surface and can be kinetically limited by surface-bulk exchange or bulk diffusion of the organic reactants. Estimates of the chemical half-life of levoglucosan in 200 nm particles in a biomass burning plume increase from 1 day at high relative humidity to 1 week under dry conditions. In BBA particles transported to the free troposphere, the chemical half-life of levoglucosan can exceed 1 month due to slow bulk diffusion in a glassy matrix at low temperature.

  14. Characterization of molecular and atomic species adsorbed on ferroelectric and semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Bharath, Satyaveda Chavi

    In order to clarify the mechanisms behind the adsorption of atomic and molecular species adsorbed on ferroelectric surfaces, single crystalline lithium niobate (LiNbO3, LN), 'Z-cut' along the (0001) plane, has been prepared, characterized and subsequently exposed to molecular and atomic species. 4-n-octyl-4'-cyanobiphenyl (8CB) liquid crystal was chosen as a polar molecule for our model system for this study. Low-energy electron diffraction (LEED), atomic force microscopy (AFM), surface contact angles (CA), and X-ray photoelectron spectroscopy (XPS) were used to characterize the surface of LN as well as the nature of the liquid crystal films grown on the surface. Atomically flat LN surfaces were prepared as a support for monolayer thick, 8CB molecular domains. Also, for the purpose of gaining a fundamental understanding of low coverage interactions of metal atoms on ferroelectric surfaces, we choose to deposit gold onto the LN surface. These gold atomic layers were grown under UHV conditions and characterized. Understanding anchoring mechanisms and thin film organization for LC molecules and metal atoms on uniformly poled surfaces allows for a fuller appreciation of how molecular deposition of other polarizable molecules on patterned poled LN surfaces would occur as well as yielding greater insight on the atomic characteristics of metal on ferroelectric interfaces. Also, to reveal the mechanisms involved in the adsorption of organic aromatic molecules on high-index Si surfaces, thiophene (C4H 4S) and pyrrole (C4H5N) molecules were dosed on prepared Si(5 5 12)-2x1 surfaces as our experimental system. The Si(5 5 12) surface was prepared to produce a 2x1 reconstruction after which molecules were dosed at low exposure to observe the preferred adsorption sites on the surface. All surface preparation and experiments were performed in UHV and measurements of the surface before and after deposition were performed using scanning tunneling microscopy (STM). Fundamental

  15. Crossing and anti-crossing effects of polaritons in a magnetic-semiconductor superlattice influenced by an external magnetic field

    NASA Astrophysics Data System (ADS)

    Tuz, Vladimir R.; Fesenko, Volodymyr I.; Fedorin, Illia V.; Sun, Hong-Bo; Shulga, Valeriy M.

    2017-03-01

    Crossing and anti-crossing effects in dispersion characteristics of both bulk and surface polaritons in a magnetic-semiconductor superlattice influenced by an external static magnetic field being in the Faraday geometry are discussed. The bulk polaritons are classified as eigenwaves with right-handed and left-handed elliptically polarized states, whereas the surface polaritons are considered as hybrid modes having a predominant effect of either magnetic or semiconductor subsystem, and distinctions in dispersion characteristics of such polaritons are revealed involving the concept of critical points.

  16. Bulk semiconducting scintillator device for radiation detection

    DOEpatents

    Stowe, Ashley C.; Burger, Arnold; Groza, Michael

    2016-08-30

    A bulk semiconducting scintillator device, including: a Li-containing semiconductor compound of general composition Li-III-VI.sub.2, wherein III is a Group III element and VI is a Group VI element; wherein the Li-containing semiconductor compound is used in one or more of a first mode and a second mode, wherein: in the first mode, the Li-containing semiconductor compound is coupled to an electrical circuit under bias operable for measuring electron-hole pairs in the Li-containing semiconductor compound in the presence of neutrons and the Li-containing semiconductor compound is also coupled to current detection electronics operable for detecting a corresponding current in the Li-containing semiconductor compound; and, in the second mode, the Li-containing semiconductor compound is coupled to a photodetector operable for detecting photons generated in the Li-containing semiconductor compound in the presence of the neutrons.

  17. Microwave frequency comb attributed to the formation of dipoles at the surface of a semiconductor by a mode-locked ultrafast laser

    NASA Astrophysics Data System (ADS)

    Hagmann, M. J.; Pandey, S.; Nahata, A.; Taylor, A. J.; Yarotski, D. A.

    2012-12-01

    The generation of terahertz radiation by focusing a mode-locked ultrafast laser on the surface of a semiconductor was demonstrated by Zhang in 1990, and others have made numerous measurements and analyses of this effect. We have measured the surge current which causes this radiation, showing that this current, and presumably the radiation, are frequency combs with harmonics at integer multiples of the pulse repetition rate of the laser. The harmonics in the current are enhanced by placing the semiconductor in a tunneling junction, where the fundamental is increased by 8 dB with a DC tunneling current of 100 pA.

  18. Contactless electromodulation investigations of surface/interface electric fields in semiconductor microstructures

    SciTech Connect

    Pollak, F.H.

    1993-07-01

    This article reviews some recent experiments using contactless electromodulation techniques, i.e., photoreflectance and contactless electroreflectance, to investigate the surface/interface electric fields in (a) pseudomorphic GaAlAs/InGaAs/GaAs modulation-doped quantum well structures (including the determination of the two-dimensional electron gas density) and (b) Fermi-level pinning on n- and p-type GaAs (001) surfaces. Evidence for the reduced surface state density on p-type material will be presented from both prior and new experiments. 25 refs., 4 figs., 1 tab.

  19. The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

    NASA Technical Reports Server (NTRS)

    Brown, Ari David; Barrentine, Emily M.; Moseley, Samuel H.; Noroozian, Omid; Stevenson, Thomas

    2016-01-01

    Polycrystalline Nb thin films are extensively used for microwave kinetic inductance detectors (MKIDs) and superconducting transmission line applications. The microwave and mm-wave loss in these films is impacted, in part, by the presence of surface nitrides and oxides. In this study, glancing incidence x-ray diffraction was used to identify the presence of niobium nitride and niobium monoxide surface layers on Nb thin films which had been exposed to chemicals used in standard photolithographic processing. A method of mitigating the presence of ordered niobium monoxide surface layers is presented. Furthermore, we discuss the possibility of using glancing incidence x-ray diffraction as a non-destructive diagnostic tool for evaluating the quality of Nb thin films used in MKIDs and transmission lines. For a given fabrication process, we have both the X-ray diffraction data of the surface chemistry and a measure of the mm-wave and microwave loss, the latter being made in superconducting resonators.

  20. Mechanism of atomic-scale passivation and flattening of semiconductor surfaces by wet-chemical preparations

    NASA Astrophysics Data System (ADS)

    Arima, Kenta; Endo, Katsuyoshi; Yamauchi, Kazuto; Hirose, Kikuji; Ono, Tomoya; Sano, Yasuhisa

    2011-10-01

    Atomic arrangements of Si(001), Si(110) and 4H-SiC(0001) surfaces after wet-chemical preparations are investigated with scanning tunneling microscopy. Their passivated structures as well as the surface formation mechanisms in aqueous solutions are discussed. On both Si(001) and Si(110) surfaces, simple 1 × 1 phases terminated by H atoms are clearly resolved after dilute HF dipping. Subsequent etching with water produces the surfaces with 'near-atomic' smoothness. The mechanisms of atomic-scale preferential etching in water are described in detail together with first-principles calculations. Furthermore, 4H-SiC(0001), which is a hard material and where it is difficult to control the surface structure by solutions, is flattened on the atomic scale with Pt as a catalyst in HF solution. After a mechanism is proposed based on electroless oxidation, the flattened surface mainly composed of a 1 × 1 phase is analyzed. The obtained results will be helpful from various scientific and technological viewpoints.

  1. Surface topography and chemistry shape cellular behavior on wide band-gap semiconductors.

    PubMed

    Bain, Lauren E; Collazo, Ramon; Hsu, Shu-Han; Latham, Nicole Pfiester; Manfra, Michael J; Ivanisevic, Albena

    2014-06-01

    The chemical stability and electrical properties of gallium nitride make it a promising material for the development of biocompatible electronics, a range of devices including biosensors as well as interfaces for probing and controlling cellular growth and signaling. To improve the interface formed between the probe material and the cell or biosystem, surface topography and chemistry can be applied to modify the ways in which the device interacts with its environment. PC12 cells are cultured on as-grown planar, unidirectionally polished, etched nanoporous and nanowire GaN surfaces with and without a physisorbed peptide sequence that promotes cell adhesion. While cells demonstrate preferential adhesion to roughened surfaces over as-grown flat surfaces, the topography of that roughness also influences the morphology of cellular adhesion and differentiation in neurotypic cells. Addition of the peptide sequence generally contributes further to cellular adhesion and promotes development of stereotypic long, thin neurite outgrowths over alternate morphologies. The dependence of cell behavior on both the topographic morphology and surface chemistry is thus demonstrated, providing further evidence for the importance of surface modification for modulating bio-inorganic interfaces.

  2. An all-silicon single-wafer micro-g accelerometer with a combined surface and bulk micromachining process

    NASA Technical Reports Server (NTRS)

    Yazdi, N.; Najafi, K.

    2000-01-01

    This paper reports an all-silicon fully symmetrical z-axis micro-g accelerometer that is fabricated on a single-silicon wafer using a combined surface and bulk fabrication process. The microaccelerometer has high device sensitivity, low noise, and low/controllable damping that are the key factors for attaining micro g and sub-micro g resolution in capacitive accelerometers. The microfabrication process produces a large proof mass by using the whole wafer thickness and a large sense capacitance by utilizing a thin sacrificial layer. The sense/feedback electrodes are formed by a deposited 2-3 microns polysilicon film with embedded 25-35 microns-thick vertical stiffeners. These electrodes, while thin, are made very stiff by the thick embedded stiffeners so that force rebalancing of the proof mass becomes possible. The polysilicon electrodes are patterned to create damping holes. The microaccelerometers are batch-fabricated, packaged, and tested successfully. A device with a 2-mm x 1-mm proof mass and a full bridge support has a measured sensitivity of 2 pF/g. The measured sensitivity of a 4-mm x 1-mm accelerometer with a cantilever support is 19.4 pF/g. The calculated noise floor of these devices at atmosphere are 0.23 micro g/sqrt(Hz) and 0.16 micro g/sqrt(Hz), respectively.

  3. A combined surface and bulk TCAD damage model for the analysis of radiation detectors operating at HL-LHC fluences

    NASA Astrophysics Data System (ADS)

    Morozzi, A.; Passeri, D.; Moscatelli, F.; Dalla Betta, G.-F.; Bilei, G. M.

    2016-12-01

    In this work we present the development and the application of a new TCAD modelling scheme to simulate the effects of radiation damage on silicon radiation detectors at the very high fluence levels expected at High Luminosity LHC (up to 2 × 1016 1MeV n/cm2). In particular, we propose a combined approach for the analysis of the surface effects (oxide charge build-up and interface trap states introduction) as well as bulk effects (deep level traps and/or recombination centers introduction). Experimental measurements have been carried out aiming at: i) extraction from simple test structures of relevant parameters to be included within the TCAD model and ii) validation of the new modelling scheme through comparison with measurements of different test structures (e.g. different technologies) before and after irradiation. The good agreements between experimental measurements and simulation findings foster the suitability of the TCAD modelling approach as a predictive tool for investigating the radiation detector behavior at different fluences and operating conditions. This would allow the design and optimization of innovative 3D and planar silicon detectors for future HL-LHC High Energy Physics experiments.

  4. The metal-insulator transition in vanadium dioxide: A view at bulk and surface contributions for thin films and the effect of annealing

    NASA Astrophysics Data System (ADS)

    Yin, W.; West, K. G.; Lu, J. W.; Pei, Y.; Wolf, S. A.; Reinke, P.; Sun, Y.

    2009-06-01

    Vanadium dioxide is investigated as potential oxide barrier in spin switches, and in order to incorporate VO2 layers in complex multilayer devices, it is necessary to understand the relation between bulk and surface/interface properties. Highly oriented VO2 thin films were grown on (0001) sapphire single crystal substrates with reactive bias target ion beam deposition. In the analysis of the VO2 films, bulk-sensitive methods [x-ray diffraction (XRD) and transport measurements] and surface sensitive techniques [photoelectron spectroscopy (PES) and scanning tunneling microscopy and spectroscopy] were employed. The samples were subjected to heating cycles with annealing temperatures of up to 425 and 525K. Prior to annealing the VO2 films exhibit the transition from the monoclinic to the tetragonal phase with the concurrent change in conductivity by more than a factor of 103 and their phase purity is confirmed by XRD. Annealing to 425K and thus cycling across the metal-insulator transition (MIT) temperature has no impact on the bulk properties of the VO2 film but the surface undergoes irreversible electronic changes. The observation of the valence band with PES during the annealing illustrates that the surface adopts a partially metallic character, which is retained after cooling. Annealing to a higher temperature (525K ) triggers a modification of the bulk, which is evidenced by a considerable reduction in the MIT characteristics, and a degradation in crystallite morphology. The local measurement of the conductivity with scanning tunneling spectroscopy shows the transition of the surface from predominantly semiconducting surface prior to annealing to a surface with an overwhelming contribution from metallic sections afterward. The spatial distribution of metallic regions cannot be linked in a unique manner to the crystallite size or location within the crystallites. The onset of oxygen depletion at the surface is held responsible for this behavior. The onset of bulk

  5. Development of nanostructured and surface modified semiconductors for hybrid organic-inorganic solar cells.

    SciTech Connect

    Hsu, Julia, W. P.

    2008-09-01

    Solar energy conversion is increasingly being recognized as one of the principal ways to meet future energy needs without causing detrimental environmental impact. Hybrid organic-inorganic solar cells (SCs) are attracting particular interest due to the potential for low cost manufacturing and for use in new applications, such as consumer electronics, architectural integration and light-weight sensors. Key materials advantages of these next generation SCs over conventional semiconductor SCs are in design opportunities--since the different functions of the SCs are carried out by different materials, there are greater materials choices for producing optimized structures. In this project, we explore the hybrid organic-inorganic solar cell system that consists of oxide, primarily ZnO, nanostructures as the electron transporter and poly-(3-hexylthiophene) (P3HT) as the light-absorber and hole transporter. It builds on our capabilities in the solution synthesis of nanostructured semiconducting oxide arrays to this photovoltaic (PV) technology. The three challenges in this hybrid material system for solar applications are (1) achieving inorganic nanostructures with critical spacing that matches the exciton diffusion in the polymer, {approx} 10 nm, (2) infiltrating the polymer completely into the dense nanostructure arrays, and (3) optimizing the interfacial properties to facilitate efficient charge transfer. We have gained an understanding and control over growing oriented ZnO nanorods with sub-50 nm diameters and the required rod-to-rod spacing on various substrates. We have developed novel approaches to infiltrate commercially available P3HT in the narrow spacing between ZnO nanorods. Also, we have begun to explore ways to modify the interfacial properties. In addition, we have established device fabrication and testing capabilities at Sandia for prototype devices. Moreover, the control synthesis of ZnO nanorod arrays lead to the development of an efficient anti

  6. Surface and related bulk properties of titania nanoparticles recovered from aramid–titania hybrid films: A novel attempt

    SciTech Connect

    Al-Omani, Sara J.; Bumajdad, Ali; Al Sagheer, Fakhreia A.; Zaki, Mohamed I.

    2012-11-15

    Highlights: ► Aramid–titania hybrid films (5 and 10 wt%-TiO{sub 2}) were prepared via sol–gel processing. ► 450 °C calcination of the films yield anatase-TiO{sub 2} nanoparticles of rod-like morphology. ► The titania nanoparticle, crystal structure, high surface area are stable up to 800 °C. ► The novel approach has the advantage of nearly 100% recovery of titania. ► Increasing calcination temperature up to 1100 °C triggers anatase → rutile transition. -- Abstract: 5 and 10 wt%-TiO{sub 2}-containing aramid–titania hybrid films were prepared using sol–gel processing improved by the inclusion of 3-isocyanato-propyltriethoxysilane (ICTOS) to strengthen bonding of the titania species to the polymer backbone and, hence, lessen its agglomeration. The films were thermally degraded by heating at 450 °C in a dynamic atmosphere of air. The solid residues were found by thermogravimetry, X-ray diffractometry and electron microscopy to consist dominantly of uniformly agglomerated rod-like anatase-TiO{sub 2} nanoparticles, irrespective of the titania content of the film. The recovered titania particle morphology and surface microstructure were examined by field emission scanning and high-resolution transmission electron microscopy, respectively. Whereas, the particle surface chemistry and texture were assessed, respectively, by means of X-ray photoelectron spectroscopy and N{sub 2} sorptiometry. The recovered titanias were found, irrespective of the film content of titania, to enjoy not only a high temperature (up to 800 °C) stable nanoscopic anatase bulk structure, but also a high-temperature stable surface chemical composition (lattice Ti{sup 4+} and O{sup 2−}, and adsorbed OH/CH{sub x} species), (101)-faceted microstructure and highly accessible (145–112 m{sup 2}/g), uniform mesoporous texture with average pore diameter in the narrow range of 3.9–6.3 nm. Increasing the calcination temperature up to 1100 °C enhances an anatase → rutile

  7. The effect of different insertion techniques on the depth of cure and vickers surface micro-hardness of two bulk-fill resin composite materials

    PubMed Central

    El-Hoshy, Ahmed-Zohair; Abou-Elenein, Karim

    2017-01-01

    Background The aim of this study was to evaluate the Vickers surface micro-hardness and the depth of cure of two bulk-fill resin composites and one incremental-fill resin composite. Material and Methods Two Bulk-fill dental resin composites (X-tra Fil, Voco; Sonic-FillTM 2, Kerr Corporation) and an incremental-fill dental resin composite (Filtek™ Z250 XT, 3M ESPE) were used. Sixty cylindrical specimens of 4 mm thickness were prepared using split Teflon moulds. Specimens were divided into six groups (n=10) according to the type of the material used and according to the insertion technique applied (bulk or incremental). Prepared specimens were stored dry in complete darkness at 37°C for 24 hours. All specimens were tested for their Vickers surface micro-hardness, on their top and bottom surfaces. The depth of cure of the tested specimens was assessed by calculating the hardness ratio for each specimen. The Vickers surface micro-hardness and depth of cure data were analyzed for normality using Kolmogorov-Smirnov and Shapiro-Wilk tests. Independent sample-t test was used to compare between two groups while One-way ANOVA was used to compare between more than two groups. Results Significant difference in the Vickers surface micro-hardness and depth of cure values was demonstrated among the tested materials (P<0.0001). X-tra Fil recorded the highest mean Vickers micro-hardness value (94.05±1.05). Bulk-fill dental resin composites X-tra Fil and Sonic-Fill showed 0.980±0.005 and 0.921±0.020 depth of cure values (bottom/top hardness ratio) respectively while Z250 XT recorded 0.776±0.141. Conclusions X-tra Fil showed highest Vickers surface micro-hardness values on both top and bottom surfaces, whether inserted in increments or bulk. Both bulk-fill resin composites showed higher depth of cure for both insertion techniques. Key words:Depth of cure, Vickers surface micro-hardness, bulk-fill resin composite, insertion techniques. PMID:28210447

  8. X-Ray Photoemission Analysis of Chemically Treated CdZnTe Semiconductor Surfaces

    NASA Astrophysics Data System (ADS)

    Nelson, Art; Vazquez, Daniel; Bliss, Ann; Evans, Cheryl; Ferreira, Jim; Nikoloc, Rebecca; Payne, Steve

    2007-03-01

    Device-grade Cd(1-x)ZnxTe was subjected to various chemical treatments commonly used in device fabrication to determine the resulting microscopic surface composition/morphology and the effect on contact formation. Br-MeOH (2% Br), N2H4, NH4F/H2O2, and (NH4)2S solutions were used to modify the surface chemistry of the Cd(1-x)ZnxTe crystals. Scanning electron microscopy was used to evaluate the resultant surface morphology. Angle-resolved high-resolution photoemission measurements on the valence band electronic structure and Zn 2p, Cd 3d, Te 3d, O 1s core lines were used to evaluate the chemistry of the chemically treated surfaces. Metal overlayers were then deposited on these chemically treated surfaces and the I-V characteristics were measured. The measurements were correlated to understand the effect of interface chemistry on the electronic structure at these interfaces with the goal of optimizing the metal/Cd(1-x)ZnxTe Schottky barrier for radiation detector devices. This work was performed under the auspices of the U.S. Dept. of Energy by the University of California Lawrence Livermore National Laboratory under Contract No. W-7405-Eng-48.

  9. Relationships Between the Bulk-Skin Sea Surface Temperature Difference, Wind, and Net Air-Sea Heat Flux

    NASA Technical Reports Server (NTRS)

    Emery, William J.; Castro, Sandra L.; Lindstrom, Eric (Technical Monitor)

    2002-01-01

    The primary purpose of this project was to evaluate and improve models for the bulk-skin temperature difference to the point where they could accurately and reliably apply under a wide variety of environmental conditions. To accomplish this goal, work was conducted in three primary areas. These included production of an archive of available data sets containing measurements of the skin and bulk temperatures and associated environmental conditions, evaluation of existing skin layer models using the compiled data archive, and additional theoretical work on the development of an improved model using the data collected under diverse environmental conditions. In this work we set the basis for a new physical model of renewal type, and propose a parameterization for the temperature difference across the cool skin of the ocean in which the effects of thermal buoyancy, wind stress, and microscale breaking are all integrated by means of the appropriate renewal time scales. Ideally, we seek to obtain a model that will accurately apply under a wide variety of environmental conditions. A summary of the work in each of these areas is included in this report. A large amount of work was accomplished under the support of this grant. The grant supported the graduate studies of Sandra Castro and the preparation of her thesis which will be completed later this year. This work led to poster presentations at the 1999 American Geophysical Union Fall Meeting and 2000 IGARSS meeting. Additional work will be presented in a talk at this year's American Meteorological Society Air-Sea Interaction Meeting this May. The grant also supported Sandra Castro during a two week experiment aboard the R/P Flip (led by Dr. Andrew Jessup of the Applied Physics Laboratory) to help obtain additional shared data sets and to provide Sandra with a fundamental understanding of the physical processes needed in the models. In a related area, the funding also partially supported Dr. William Emery and Daniel

  10. Large area bulk superconductors

    DOEpatents

    Miller, Dean J.; Field, Michael B.

    2002-01-01

    A bulk superconductor having a thickness of not less than about 100 microns is carried by a polycrystalline textured substrate having misorientation angles at the surface thereof not greater than about 15.degree.; the bulk superconductor may have a thickness of not less than about 100 microns and a surface area of not less than about 50 cm.sup.2. The textured substrate may have a thickness not less than about 10 microns and misorientation angles at the surface thereof not greater than about 15.degree.. Also disclosed is a process of manufacturing the bulk superconductor and the polycrystalline biaxially textured substrate material.

  11. Study of dynamic processes on semiconductor surfaces using time-resolved scanning tunneling microscopy.

    PubMed

    Saedi, Amirmehdi; Poelsema, Bene; Zandvliet, Harold J W

    2010-07-07

    The time resolution of a conventional scanning tunneling microscope can be improved by many orders of magnitude by recording open feedback loop current-time traces. The enhanced time resolution comes, however, at the expense of the ability to obtain spatial information. In this paper, we first consider the Ge(111)-c(2 × 8) surface as an example of how surface dynamics can show up in conventional STM images. After a brief introduction to the time-resolved scanning tunneling microscopy technique, its capabilities will be demonstrated by addressing the dynamics of a dimer pair of a Pt modified Ge(001).

  12. Spectroscopy of organic semiconductors from first principles

    NASA Astrophysics Data System (ADS)

    Sharifzadeh, Sahar; Biller, Ariel; Kronik, Leeor; Neaton, Jeffery

    2011-03-01

    Advances in organic optoelectronic materials rely on an accurate understanding their spectroscopy, motivating the development of predictive theoretical methods that accurately describe the excited states of organic semiconductors. In this work, we use density functional theory and many-body perturbation theory (GW/BSE) to compute the electronic and optical properties of two well-studied organic semiconductors, pentacene and PTCDA. We carefully compare our calculations of the bulk density of states with available photoemission spectra, accounting for the role of finite temperature and surface effects in experiment, and examining the influence of our main approximations -- e.g. the GW starting point and the application of the generalized plasmon-pole model -- on the predicted electronic structure. Moreover, our predictions for the nature of the exciton and its binding energy are discussed and compared against optical absorption data. We acknowledge DOE, NSF, and BASF for financial support and NERSC for computational resources.

  13. Electronic structures and half-metallicity of carbon doped bulk and surface CdS: The modified Becke-Johnson potential calculation

    NASA Astrophysics Data System (ADS)

    Huang, X. N.; Fan, S. W.; Pan, L. Q.

    2017-01-01

    The electronic structures and ferromagnetism for bulk and surface CdS with CS defects are investigated by the full potential linearized augmented plane wave method together with the modified Becke-Johnson potential. Calculations show bulk and surface CdS with CS defects are half-metallic ferromagnet. Each CS defect could produce the total magnetic moment of 2.00 μB. Electronic structures indicate the stable ferromagnetism could be attributed to the p-d exchange-like p-p coupling mechanism. Sulfur vacancies would give rise to the magnetism vanishing. For the nonpolar (10 1 bar 0) surfaces, the CS defects prefer to occupy the surface layer sites.

  14. INTERNATIONAL CONFERENCE ON SEMICONDUCTOR INJECTION LASERS SELCO-87: Surface effects in laser diodes

    NASA Astrophysics Data System (ADS)

    Beister, G.; Maege, J.; Richter, G.

    1988-11-01

    Changes in the current-voltage characteristics below the threshold current were observed in gain-guided stripe laser diodes after preliminary lasing. This effect was not fully understood. Similar changes in the laser characteristics appeared as a result of etching in a gaseous medium. The observed changes were attributed tentatively to surface currents.

  15. The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

    NASA Technical Reports Server (NTRS)

    Brown, Ari David; Barrentine, Emily M.; Moseley, Samuel H.; Noroozian, Omid; Stevenson, Thomas

    2011-01-01

    Polycrystalline superconducting Nb thin films are extensively used for submillimeter and millimeter transmission line applications and, less commonly, used in microwave kinetic inductance detector (MKID) applications. The microwave and mm-wave loss in these films is impacted, in part, by the presence of surface nitrides and oxides. In this study, glancing incidence x-ray diffraction was used to identify the presence of niobium nitride and niobium monoxide surface layers on Nb thin films which had been exposed to chemicals used in standard photolithographic processing. A method of mitigating the presence of ordered niobium monoxide surface layers is presented. Furthermore, we discuss the possibility of using glancing incidence x-ray diffraction as a non-destructive diagnostic tool for evaluating the quality of Nb thin films used in MKIDs and transmission lines. For a given fabrication process, we have both the x-ray diffraction data of the surface chemistry and a measure of the mm-wave and microwave loss, the latter being made in superconducting resonators.

  16. Miniaturized quantum semiconductor surface plasmon resonance platform for detection of biological molecules.

    PubMed

    Lepage, Dominic; Dubowski, Jan J

    2013-06-07

    The concept of a portable, inexpensive and semi-automated biosensing platform, or lab-on-a-chip, is a vision shared by many researchers and venture industries. Under this scope, we have investigated the application of optical emission from quantum well (QW) microstructures for monitoring surface phenomena on gold layers remaining in proximity (<300 nm) with QW microstructures. The uncollimated QW radiation excites surface plasmons (SP) and through the surface plasmon resonance (SPR) effect allows for detection of small perturbation in the density surface adsorbates. The SPR technology is already commonly used for biochemical characterization in pharmaceutical industries, but the reduction of the distance between the SP exciting source and the biosensing platform to a few hundreds of nanometers is an innovative approach enabling us to achieve an ultimate miniaturization of the device. We evaluate the signal quality of this nanophotonic QW-SPR device using hyperspectral-imaging technology, and we compare its performance with that of a standard prism-based commercial system. Two standard biochemical agents are employed for this characterization study: bovine serum albumin and inactivated influenza A virus. With an innovative conical method of SPR data collection, we demonstrate that individually collected SPR scan, each in less than 2.2 s, yield a resolution of the detection at 1.5 × 10-6 RIU.

  17. Optical monitoring of surface adlayers by laser-induced thermal desorption during the plasma etching of semiconductors

    NASA Astrophysics Data System (ADS)

    Choe, Jae Young

    1999-11-01

    Laser induced thermal desorption with optical detection by laser induced fluorescence and transient plasma induced emission is used to analyze the surface adlayer during plasma etching of semiconductors, including Si, Ge, and InP. In the investigation of Si etching in a Cl2 inductively coupled plasma (ICP), 308 nm radiation from a XeCl excimer laser heats the surface to desorb the surface species (LD) and excites laser induced fluorescence (LIF) in the desorbing SiCl. This measured LD-LIF optical signal indicates the adlayer chlorine content during steady-state plasma etching. The LD-LIF of SiCl increases with dc substrate bias voltage indicating that the adlayer chlorine content increases with increasing substrate bias. The SiCl LD-LIF signal is almost independent of rf power, while the ion density and etch rate increase by an order of magnitude over the range of rf power studied. In the investigation of Ge etching in a Cl2 ICP, 308 nm radiation from a XeCl excimer laser is used for LD-LIF of GeCl. The LD-LIF of GeCl is also independent of rf power, as for Si etching, but the rate of chlorination is faster than that during Si etching. The GeCl LD-LIF signal remains almost constant as dc substrate bias is increased from 0 V to over -100 V. The transient increase in plasma-induced emission following laser-induced thermal desorption (LD-PIE) is also used to analyze the surface adlayer during Si and InP etching by a Cl2 plasma. Several different species are monitored during Si etching by a Cl2 plasma, including Si, SiCl and SiCl2. The LD-PIE intensities from all of these species increase with rf power. In order to properly interpret the LD-PIE signal to determine the level of surface chlorination, the LD-PIE signal is normalized by the electron density. The LD-PIE intensities during Si etching increase with the dc substrate bias as in the LD-LIF study. Both the LD-LIF and LD-PIE measurements of Si etching are consistent with each other for determining the adlayer

  18. Photo-catalyzed surface hydrolysis of iridium(iii) ions on semiconductors: a facile method for the preparation of semiconductor/IrOx composite photoanodes toward oxygen evolution reaction.

    PubMed

    Wu, Qingyong; Xu, Di; Xue, Ning; Liu, Tengyi; Xiang, Min; Diao, Peng

    2016-12-21

    We previously reported that the hydrolysis of Ir(3+) in homogeneous solution could be triggered by irradiation with light whose energy was larger than a threshold value. In this work, we demonstrated that, by introducing Fe2O3 particles into solution, the incident light energy-restriction for the photo-catalyzed hydrolysis could be broken and the hydrolysis occurred at the Fe2O3/solution interface. The photo-generated holes on the Fe2O3 surface played a key role in oxidizing Ir(iii) to Ir(iv) species and triggered the deposition of IrOx. We showed that this photo-catalyzed surface hydrolysis is a universal phenomenon that takes place on the surface of many n-type semiconductors such as Fe2O3, TiO2, and Ag3PO4. As IrOx is an efficient catalyst for oxygen evolution reaction, surface hydrolysis is a general, facile and efficient strategy to prepare semiconductor/IrOx composites, which can be used as anodic materials for photoelectrochemical water splitting.

  19. Electroanalysis using macro-, micro-, and nanochemical architectures on electrode surfaces. Bulk surface modification of glassy carbon microspheres with gold nanoparticles and their electrical wiring using carbon nanotubes.

    PubMed

    Dai, Xuan; Wildgoose, Gregory G; Salter, Chris; Crossley, Alison; Compton, Richard G

    2006-09-01

    Gold nanoparticles (approximately 30-60 nm in diameter) were deposited onto the surface of glassy carbon microspheres (10-20 microm) through electroless plating to produce bulk (i.e., gram) quantities of nanoparticle surface-modified microspheres. The gold nanoparticle-modified powder was then characterized by means of scanning electron microscopy and cyclic voltammetry. The voltammetric response of a macroelectrode consisting of a film of gold nanoparticle-modified glassy carbon microspheres, bound together and "wired-up" using multiwalled carbon nanotubes (MWCNTs), was investigated. We demonstrate that by intelligently exploiting both nano- and microchemical architectures and wiring up the electroactive centers using MWCNTs in this way, we can obtain macroelectrode voltammetric behavior while only using approximately 1% by mass of the expensive gold material that would be required to construct the equivalent gold film macrodisk electrode. The potential utility of electrodes constructed using chemical architectures such as this was demonstrated by applying them to the analytical determination of arsenic(III) concentration. An optimized limit of detection of 2.5 ppb was obtained.

  20. Plasmonic reflectance anisotropy spectroscopy of metal nanoparticles on a semiconductor surface

    NASA Astrophysics Data System (ADS)

    Kosobukin, V. A.; Korotchenkov, A. V.

    2016-12-01

    A theory of plasmonic differential anisotropic reflection of light from nanoparticles located near the interface between media is developed. The model of a monolayer consisting of identical ellipsoidal metal particles occupying sites of a rectangular lattice is investigated. Effective plasmonic polarizabilities of nanoparticles in the layer are calculated self-consistently using the Green's function technique in the quasipoint dipole approximation. The local-field effect caused by anisotropic dipole plasmons of particles in the layer and their image dipoles is taken into account. The lately observed resonant reflectance anisotropy spectra of indium nanoclusters on InAs surface are explained by the difference between frequencies of plasmons with the orthogonal polarizations in the surface plane. The difference between the plasmon frequencies is attributed to anisotropy of the particles shape or/and the layer structure; the signs of frequency difference for the two types of anisotropy being different.