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Sample records for bulk semiconductors surfaces

  1. Photoinduced bulk-surface dynamics: time resolved two photon photoemission signals at semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Ramakrishna, S.; Willig, F.; Knorr, A.

    2004-06-01

    A free particle theory of photoinduced bulk-surface dynamics at semiconductor surfaces is developed wherein relaxation processes arising from electron-electron and electron-phonon scattering are treated phenomenologically. The role played by bulk-surface dynamics in the thermalization and cooling processes of the bulk and the complementary issue of how bulk dynamics influences the surface state occupancy are both studied. Time resolved 2PPE spectra is analysed both in the context of pure bulk as well as combined bulk-surface dynamics and its relation to the time dependent populations in the conduction band and surface states is discussed.

  2. Dispersion regions overlapping for bulk and surface polaritons in a magnetic-semiconductor superlattice

    NASA Astrophysics Data System (ADS)

    Fesenko, Volodymyr I.; Fedorin, Illia V.; Tuz, Vladimir R.

    2016-05-01

    Extraordinary dispersion features of both bulk and surface polaritons in a finely-stratified magnetic-semiconductor structure which is under an action of an external static magnetic field in the Voigt geometry are discussed in this letter. It is shown that the conditions for total overlapping dispersion regions of simultaneous existence of bulk and surface polaritons can be reached providing a conscious choice of the constitutive parameters and material fractions for both magnetic and semiconductor subsystems.

  3. Interaction of graphene quantum dots with bulk semiconductor surfaces

    NASA Astrophysics Data System (ADS)

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

    2015-05-01

    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-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.

  4. 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.

  5. 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.

  6. Evaluation of surface and bulk qualities of semiconductor materials by a laser-induced photothermal technique

    NASA Astrophysics Data System (ADS)

    Dong, Jingtao; Chen, Jian; Sun, Shiwen; Zhang, Dawei; Zhuang, Songlin; Wu, Zhouling

    2015-05-01

    Non-destructive evaluation of defects for semiconductor materials is critical to the quality control process. The existing evaluation methods, including radiographic testing, ultrasonic detection, fluorescence and infrared imaging, are widely used in industrial applications. In this paper an instrument based on laser-induced photothermal technique was applied to study various semiconductor materials. With a specially arranged pump-probe configuration, this system can do three dimensional mapping of local properties and defects. By using this photothermal instrument, several semiconductors, such as bulk CdZnTe (CZT) crystals and monocrystalline silicon wafers under different processing conditions, were investigated. The surface and internal structures and defects of these materials were tested nondestructively by the 3-D photothermal microscope. The results show intersting correlation between the photothermal characterizations and the processing conditions. In addition, the details of the development of the 3-D photothermal microscope were also presented. The system provides user-friendly operations of the defects characterization process and shows great potential of application for characterization of semiconductor materials.

  7. 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

  8. Temperature dependence of surface photovoltage of bulk semiconductors and the effect of surface passivation

    NASA Astrophysics Data System (ADS)

    Datta, Shouvik; Gokhale, M. R.; Shah, A. P.; Arora, B. M.; Kumar, Shailendra

    2000-12-01

    Surface photovoltage (SPV) of n-GaAs decreases both above and below a certain transition temperature. We explain this phenomenon in terms of a Schottky contact based model and relative dominance of thermal and nonthermal parts of the dark current. This also explains the observed increase of SPV of p-GaAs below room temperature. Our analysis is further confirmed from the temperature dependence of the SPV measurements on p-InP and n-InP samples. Surface passivation is seen to lower the transition temperature of n-GaAs.

  9. Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors.

    PubMed

    Ryno, Sean M; Risko, Chad; Brédas, Jean-Luc

    2016-06-01

    The polarizable environment surrounding charge carriers in organic semiconductors impacts the efficiency of the charge transport process. Here, we consider two representative organic semiconductors, tetracene and rubrene, and evaluate their polarization energies in the bulk and at the organic-vacuum interface using a polarizable force field that accounts for induced-dipole and quadrupole interactions. Though both oligoacenes pack in a herringbone motif, the tetraphenyl substituents on the tetracene backbone of rubrene alter greatly the nature of the packing. The resulting change in relative orientations of neighboring molecules is found to reduce the bulk polarization energy of holes in rubrene by some 0.3 eV when compared to tetracene. The consideration of model organic-vacuum interfaces highlights the significant variation in the electrostatic environment for a charge carrier at a surface although the net change in polarization energy is small; interestingly, the environment of a charge even just one layer removed from the surface can be viewed already as representative of the bulk. Overall, it is found that in these herringbone-type layered crystals the polarization energy has a much stronger dependence on the intralayer packing density than interlayer packing density. PMID:27183361

  10. Modeling direct interband tunneling. I. Bulk semiconductors

    SciTech Connect

    Pan, Andrew; Chui, Chi On

    2014-08-07

    Interband tunneling is frequently studied using the semiclassical Kane model, despite uncertainty about its validity. Revisiting the physical basis of this formula, we find that it neglects coupling to other bands and underestimates transverse tunneling. As a result, significant errors can arise at low and high fields for small and large gap materials, respectively. We derive a simple multiband tunneling model to correct these defects analytically without arbitrary parameters. Through extensive comparison with band structure and quantum transport calculations for bulk InGaAs, InAs, and InSb, we probe the accuracy of the Kane and multiband formulas and establish the superiority of the latter. We also show that the nonlocal average electric field should be used when applying either of these models to nonuniform potentials. Our findings are important for efficient analysis and simulation of bulk semiconductor devices involving tunneling.

  11. Hydrogen on semiconductor surfaces

    SciTech Connect

    Schaefer, J.A.; Balster, T.; Polyakov, V.; Rossow, U.; Sloboshanin, S.; Starke, U.; Tautz, F.S.

    1998-12-31

    The authors review structural and electronic aspects of the reaction of hydrogen with semiconductor surfaces. Among others, they address the Si(100), Ge{sub x}Si{sub 1{minus}x}(100), GaAs(100), InP(100), SiC(100), SiC(0001) and SiC(000{bar 1}) surfaces. It is demonstrated that high resolution electron energy loss spectroscopy (HREELS) in conjunction with a number of other surface sensitive techniques like low energy electron diffraction (LEED) and photoelectron spectroscopy (XPS/UPS) can yield important information about the surface atomic structure, the effects of hydrogen passivation and etching and on electronic properties of the surfaces. 67 refs., 7 figs., 3 tabs.

  12. Preservation of surface features on semiconductor surfaces

    SciTech Connect

    Wilt, D.P.

    1989-02-14

    A semiconductor laser is described comprising a Group III-V compound semiconductor body having a major surface, p1 an optical grating on the major surface, a protective coating on the grating, the coating including a transition metal, a Group III-V compound semiconductor heterostructure formed on the coating, the heterostructure having the shape of a mesa and including a Group III-V compound semiconductor active layer, a current-blocking Group III-V compound semiconductor structure laterally adjacent the mesa and effective to direct the primary flow of current through the mesa during operation of the laser, and means forming electrical contact to the laser.

  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. Modeling and simulation of bulk gallium nitride power semiconductor devices

    NASA Astrophysics Data System (ADS)

    Sabui, G.; Parbrook, P. J.; Arredondo-Arechavala, M.; Shen, Z. J.

    2016-05-01

    Bulk gallium nitride (GaN) power semiconductor devices are gaining significant interest in recent years, creating the need for technology computer aided design (TCAD) simulation to accurately model and optimize these devices. This paper comprehensively reviews and compares different GaN physical models and model parameters in the literature, and discusses the appropriate selection of these models and parameters for TCAD simulation. 2-D drift-diffusion semi-classical simulation is carried out for 2.6 kV and 3.7 kV bulk GaN vertical PN diodes. The simulated forward current-voltage and reverse breakdown characteristics are in good agreement with the measurement data even over a wide temperature range.

  16. Absolute surface energy for zincblende semiconductors

    NASA Astrophysics Data System (ADS)

    Zhang, S. B.; Wei, Su-Huai

    2003-03-01

    Recent advance in nanosciences requires the determination of surface (or facet) energy of semiconductors, which is often difficult due to the polar nature of some of the most important surfaces such as the (111)A/(111)B surfaces. Several approaches have been developed in the past [1-3] to deal with the problem but an unambiguous division of the polar surface energies is yet to come [2]. Here we show that an accurate division is indeed possible for the zincblende semiconductors and will present the results for GaAs, ZnSe, and CuInSe2 [4], respectively. A general trend emerges, relating the absolute surface energy to the ionicity of the bulk materials. [1] N. Chetty and R. M. Martin, Phys. Rev. B 45, 6074 (1992). [2] N. Moll, et al., Phys. Rev. B 54, 8844 (1996). [3] S. Mankefors, Phys. Rev. B 59, 13151 (1999). [4] S. B. Zhang and S.-H. Wei, Phys. Rev. B 65, 081402 (2002).

  17. Distinction between surface and bulk states in surface-photovoltage spectroscopy

    NASA Astrophysics Data System (ADS)

    Leibovitch, M.; Kronik, L.; Fefer, E.; Shapira, Yoram

    1994-07-01

    The effect of localized electron states on the photovoltage at a free semiconductor surface is analyzed. The analysis shows that surface-photovoltage spectroscopy (SPS) is inherently more sensitive to surface states than to bulk states. Moreover, a fundamental difference between the effect of surface and bulk states on the surface photovoltage (SPV) is shown. The analysis demonstrates that the same illumination-induced variation of the population at a surface and a bulk state may result in a significantly different dependence of the SPV on the illumination intensity. Under certain conditions, this difference makes it possible to distinguish between surface and bulk states by means of SPS. Analytical expressions for these relations are obtained under the depletion approximation, and are compared with the results of a numerical simulation. Experimental results obtained from InP samples demonstrate an application of the theory to practical distinction between surface and bulk states.

  18. 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.

  19. Scattering and Chemical Investigations of Semiconductor Surfaces.

    NASA Astrophysics Data System (ADS)

    Wallace, Robert Milo

    1988-12-01

    This two-part thesis describes: (i) the design of an ion scattering system to examine the surface and near-surface region of semiconductors, and (ii) the chemical reaction channels of unsaturated hydrocarbons on the silicon (100) surface. Details on the design and construction of an ultrahigh vacuum, high-energy ion scattering system are presented. The use of MeV ion scattering to investigate surface and near -surface regions of materials is described and the combination of ion scattering with complimentary surface science techniques is stressed. The thermal activation of chemical bonds of the adsorbed unsaturated hydrocarbon molecules ethylene, propylene, and acetylene is investigated on the Si(100)-(2 times 11) surface with a goal of understanding the surface chemistry of Si-C formation. The use of precision dosing techniques, Low Energy Electron Diffraction, Auger Electron Spectroscopy, and Temperature Programmed Desorption in the investigation of the remaining carbonaceous species is described. Comparisons of the adsorption and desorption behavior of these molecules is made in terms of the carbon -carbon double and triple bonds (ethylene to acetylene) and the methyl functional group (ethylene to propylene). We find that the monolayer saturation coverage of these hydrocarbons is in very good agreement with the number of dimer sites on the surface estimated from scanning-tunneling microscopy, which suggests that the bonding of these hydrocarbons to the Si(100) surface is similar. It is also found that ethylene, in particular, does not provide an efficient Si-C reaction channel upon thermal activation, with nearly 100% of the ethylene molecules desorbing. In contrast, acetylene is found to be very efficient in SiC formation: >=q90% of the adsorbed acetylene thermally dissociates and eventually leads to SiC formation. Propylene has an efficiency of roughly 70% upon heating. Evidence for the diffusion of carbon into the bulk is seen at >=q850 K for propylene and

  20. Bulk and surface correlations in a microemulsion

    SciTech Connect

    Lee, D.D.; Chen, S.H.; Majkrzak, C.F.; Satija, S.K.

    1995-07-01

    Small angle neutron scattering and neutron reflectivity are used to study the bulk and surface structure of water--octane--tetraethylene glycol monodecyl ether (C{sub 10}E{sub 4}) bicontinuous microemulsions. When the hydrophilicity and hydrophobicity of the surfactant monolayers in the microemulsion are balanced, the surface correlation length is found to be significantly larger than its bulk analog. Varying the spontaneous curvature of the monolayers greatly influences the surface structure of the microemulsion while having a relatively slight effect on the bulk correlation function. These observations are explained using a Ginzburg-Landau theory.

  1. Orbital magnetization in insulators: Bulk versus surface

    NASA Astrophysics Data System (ADS)

    Bianco, Raffaello; Resta, Raffaele

    2016-05-01

    The orbital magnetic moment of a finite piece of matter is expressed in terms of the one-body density matrix as a simple trace. We address a macroscopic system, insulating in the bulk, and we show that its orbital moment is the sum of a bulk term and a surface term, both extensive. The latter only occurs when the transverse conductivity is nonzero and it is due to conducting surface states. Simulations on a model Hamiltonian validate our theory.

  2. Surface Sum Frequency Generation of III-V Semiconductors

    NASA Astrophysics Data System (ADS)

    Zhang, Zhenyu; Kim, Jisun; Khoury, Rami; Plummer, E. W.; Haber, Louis

    2015-03-01

    Optical sum frequency generation (SFG) is a well-established technique for surface and interface studies but its use has been limited mainly to centrosymmetric materials so far. Here, we demonstrate that femtosecond broadband SFG spectroscopy has the ability to identify surface molecular vibrations on the archetypical non-centrosymmetric semiconductor GaAs (001), in which the bulk SFG signal typically dominates over surface SFG contributions. Azimuthal angle dependence of the second order SFG nonlinear response from GaAs (001) surface in the reflection geometry in vacuum for all eight polarization combinations are detected and analyzed. The results agree with and extend upon previous second harmonic generation (SHG) studies and phenomenological analysis. In addition, carbon monoxide and methanol are employed as molecular-markers on the GaAs (001) surfaces. The C-O stretching mode of carbon monoxide and the methyl group stretching modes of methanol are clearly observed even though the bulk contribution dominates the SFG signal. Coherent heterodyne interference is proposed as the mechanism for the surface signal enhancement. Two other zinc blende type III-V semiconductors, GaP and GaSb, are also studied and compared. Funded by EFRC.

  3. Electron correlations in semiconductors: Bulk cohesive properties and magnetic-field-induced Wigner crystal at heterojunctions

    SciTech Connect

    Louie, S.G.; Zhu, X.

    1992-08-01

    A correlated wavefunction variational quantum Monte Carlo approach to the studies of electron exchange and correlation effects in semiconductors is presented. Applications discussed include the cohesive and structural properties of bulk semiconductors, and the magnetic-field-induced Wigner electron crystal in two dimensions. Landau level mixing is shown to be important in determining the transition between the quantum Hall liquid and the Wigner crystal states in the regime of relevant experimental parameters.

  4. Surface-Bulk Vibrational Correlation Spectroscopy.

    PubMed

    Roy, Sandra; Covert, Paul A; Jarisz, Tasha A; Chan, Chantelle; Hore, Dennis K

    2016-05-01

    Homo- and heterospectral correlation analysis are powerful methods for investigating the effects of external influences on the spectra acquired using distinct and complementary techniques. Nonlinear vibrational spectroscopy is a selective and sensitive probe of surface structure changes, as bulk molecules are excluded on the basis of symmetry. However, as a result of this exquisite specificity, it is blind to changes that may be occurring in the solution. We demonstrate that correlation analysis between surface-specific techniques and bulk probes such as infrared absorption or Raman scattering may be used to reveal additional details of the adsorption process. Using the adsorption of water and ethanol binary mixtures as an example, we illustrate that this provides support for a competitive binding model and adds new insight into a dimer-to-bilayer transition proposed from previous experiments and simulations. PMID:27058265

  5. 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.

  6. 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.

  7. Free surface properties of 3-5 compound semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Kahn, A.

    1980-06-01

    Studies of free compound semiconductor surfaces as well as gas-solid and metal-solid interaction are summarized. An experimental and theoretical analysis of the GaAs(110) surface reconstruction was conducted and applied to three additional compounds: InSb, InP and ZnTe. Attempts were made to relate the type and the magnitude of the surface reconstruction of these materials to the covalent-ionic character of the bonding. Knowledge of the atomic reconstructions of these surfaces was used to investigate the reactivity of semiconductor surfaces (GaAs(110)) with gas (oxygen) and metal (aluminum) atoms. These multicomponent systems are at the center of the author's essays to understand the chemistry of these surfaces and its relationship with their atomic reconstruction. Using Low Energy Electron Diffraction (LEED) as the principal tool to investigation, structural information has been obtained which correlates chemical and electronic information obtained by other surface analysis techniques.

  8. TiN surface dynamics: role of surface and bulk mass transport processes

    SciTech Connect

    Bareno, J.; Swiech, W.; Petrova, V.; Petrov, I.; Greene, J. E.; Kodambaka, S.; Khare, S. V.

    2007-02-09

    Transition-metal nitrides, such as TiN, have a wide variety of applications as hard, wear-resistant coatings, as diffusion barriers, and as scratch-resistant and anti-reflective coatings in optics. Understanding the surface morphological and microstructural evolution of these materials is crucial for improving the performance of devices. Studies of surface step dynamics enable determination of the rate-limiting mechanisms, corresponding surface mass transport parameters, and step energies. However, most models describing these phenomena are limited in application to simple elemental metal and semiconductor surfaces. Here, we summarize recent progress toward elucidating the interplay of surface and bulk diffusion processes on morphological evolution of compound surfaces. Specifically, we analyze the coarsening/decay kinetics of two- and three-dimensional TiN(111) islands and the effect of surface-terminated dislocations on TiN(111) steps.

  9. 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.

  10. Energy harvesting in semiconductor-insulator-semiconductor junctions through excitation of surface plasmon polaritons

    NASA Astrophysics Data System (ADS)

    Pradhan, A. K.; Holloway, Terence; Mundle, Rajeh; Dondapati, Hareesh; Bahoura, M.

    2012-02-01

    We have demonstrated a simple approach for developing a photovoltaic device consisting of semiconductor-insulator-semiconductor (SIS) heterojunction using surface plasmon polaritons (SPPs) generated in one of the semiconductors (Al:ZnO) and propagated through the dielectric barrier (SiO2) to other (Si). This robust architecture based on surface plasmon excitation within an SIS device that produces power based on spatial confinement of electron excitation through plasmon absorption in Al:ZnO in a broad spectrum of visible to infrared wavelengths enhancing the photovoltaic activities. This finding suggests a range of applications for photovoltaics, sensing, waveguides, and others using SPPs enhancement on semiconductors without using noble metals.

  11. 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).

  12. High-power, efficient, semiconductor saturable absorber mode-locked Yb:KGW bulk laser.

    PubMed

    Kisel, V E; Rudenkov, A S; Pavlyuk, A A; Kovalyov, A A; Preobrazhenskii, V V; Putyato, M A; Rubtsova, N N; Semyagin, B R; Kuleshov, N V

    2015-06-15

    A high-power, diode-pumped, semiconductor saturable absorber mode-locked Yb(5%):KGW bulk laser was demonstrated with high optical-to-optical efficiency. Average output power as high as 8.8 W with optical-to-optical efficiency of 37.5% was obtained for Nm-polarized laser output with 162 fs pulse duration and 142 nJ pulse energy at a pulse repetition frequency of 62 MHz. For Np polarization, 143 fs pulses with pulse energy of 139 nJ and average output power of up to 8.6 W with optical-to-optical efficiency of 31% were generated. PMID:26076242

  13. Atomic-scale studies of hydrogenated semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Mayne, A. J.; Riedel, D.; Comtet, G.; Dujardin, G.

    The adsorption of hydrogen on semiconductors strongly modifies the electronic and chemical properties of the surfaces, whether on the surface or in the sub-surface region. This has been the starting point, in recent years, of many new areas of research and technology. This paper will discuss the properties, at the atomic scale, of hydrogenated semiconductor surfaces studied with scanning tunnelling microscopy (STM) and synchrotron radiation. Four semiconductor surfaces will be described - germanium(1 1 1), silicon(1 0 0), silicon carbide(1 0 0) and diamond(1 0 0). Each surface has its particularities in terms of the physical and electronic structure and in regard to the adsorption of hydrogen. The manipulation of hydrogen on these surfaces by electronic excitation using electrons from the STM tip will be discussed in detail highlighting the excitation mechanisms. The reactivity of these surfaces towards various molecules and semiconductor nanocrystals will be illustrated.

  14. Effects of bulk charged impurities on the bulk and surface transport in three-dimensional topological insulators

    SciTech Connect

    Skinner, B.; Chen, T.; Shklovskii, B. I.

    2013-09-15

    In the three-dimensional topological insulator (TI), the physics of doped semiconductors exists literally side-by-side with the physics of ultrarelativistic Dirac fermions. This unusual pairing creates a novel playground for studying the interplay between disorder and electronic transport. In this mini-review, we focus on the disorder caused by the three-dimensionally distributed charged impurities that are ubiquitous in TIs, and we outline the effects it has on both the bulk and surface transport in TIs. We present self-consistent theories for Coulomb screening both in the bulk and at the surface, discuss the magnitude of the disorder potential in each case, and present results for the conductivity. In the bulk, where the band gap leads to thermally activated transport, we show how disorder leads to a smaller-than-expected activation energy that gives way to variable-range hopping at low temperatures. We confirm this enhanced conductivity with numerical simulations that also allow us to explore different degrees of impurity compensation. For the surface, where the TI has gapless Dirac modes, we present a theory of disorder and screening of deep impurities, and we calculate the corresponding zero-temperature conductivity. We also comment on the growth of the disorder potential in passing from the surface of the TI into the bulk. Finally, we discuss how the presence of a gap at the Dirac point, introduced by some source of time-reversal symmetry breaking, affects the disorder potential at the surface and the mid-gap density of states.

  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. 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.

  17. Liquid phase electroepitaxial bulk growth of binary and ternary alloy semiconductors under external magnetic field

    NASA Astrophysics Data System (ADS)

    Sheibani, Hamdi

    2002-01-01

    Liquid Phase Electroepitaxy (LPEE) and is a relatively new, promising technique for producing high quality, thick compound semiconductors and their alloys. The main objectives are to reduce the adverse effect of natural convection and to determine the optimum growth conditions for reproducible desired crystals for the optoelectronic and electronic device industry. Among the available techniques for suppressing the adverse effect of natural convection, the application of an external magnetic field seems the most feasible one. The research work in this dissertation consists of two parts. The first part is focused on the design and development of a state of the art LPEE facility with a novel crucible design, that can produce bulk crystals of quality higher than those achieved by the existing LPEE system. A growth procedure was developed to take advantage of this novel crucible design. The research of the growth of InGaAs single crystals presented in this thesis will be a basis for the future LPEE growth of other important material and is an ideal vehicle for the development of a ternary crystal growth process. The second part of the research program is the experimental study of the LPEE growth process of high quality bulk single crystals of binary/ternary semiconductors under applied magnetic field. The compositional uniformity of grown crystals was measured by Electron Probe Micro-analysis (EPMA) and X-ray microanalysis. The state-of-the-art LPEE system developed at University of Victoria, because of its novel design features, has achieved a growth rate of about 4.5 mm/day (with the application of an external fixed magnetic field of 4.5 KGauss and 3 A/cm2 electric current density), and a growth rate of about 11 mm/day (with 4.5 KGauss magnetic field and 7 A/cm2 electric current density). This achievement is simply a breakthrough in LPEE, making this growth technique absolutely a bulk growth technique and putting it in competition with other bulk growth techniques

  18. 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.

  19. Tomographic investigation of fermi level pinning at focused ion beam milled semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Wolf, D.; Lubk, A.; Lenk, A.; Sturm, S.; Lichte, H.

    2013-12-01

    Electron holography in the transmission electron microscope (TEM) offers the spatial and signal resolution for studying effects like Fermi level pinning or dopant concentration variations important for the design of modern electronic devices. To overcome the loss of information along the projection direction, surface effects, and surface damage due to TEM specimen preparation, we apply electron holographic tomography to analyze the 3D potential distribution of semiconductor samples prepared by focused-ion-beam. We observe mid-band gap pinning of the Fermi level at Si surfaces but valence band pinning at Ge surfaces. The pinning extends over tens of nanometers into the bulk.

  20. Electrical current driven by a coherent spin wave in a bulk ferromagnetic semiconductor

    NASA Astrophysics Data System (ADS)

    Fraerman, A. A.; Muhamatchin, K. R.; Tokman, I. D.

    2011-07-01

    We theoretically investigate the effect of electrical current generation by a coherent spin wave propagated in a bulk ferromagnetic semiconductor. This is one of the effects in conductive magnetic materials that are based on spin-transfer torque concept first proposed by J. C. Slonszewski [J. Magn. Magn. Mater.0304-885310.1016/0304-8853(96)00062-5 159, L1 (1996)] and L. Berger [Phys. Rev. BPLRBAQ1098-012110.1103/PhysRevB.54.9353 54, 9353 (1996)]. Due to the relatively simple description of interaction between conduction electrons and a coherent spin wave (in the framework of s-d exchange), the spin-transfer torque effect is considered here ab initio. A systematic analysis of current generation effect is done by quantum kinetics methods; relaxation processes are considered within the τ approximation. We derive an analytical expression for the stationary current density and make estimations for a ferromagnetic semiconductor of the CdCr2Se4 type.

  1. Phonon-Electron Interactions in Piezoelectric Semiconductor Bulk Acoustic Wave Resonators

    PubMed Central

    Gokhale, Vikrant J.; Rais-Zadeh, Mina

    2014-01-01

    This work presents the first comprehensive investigation of phonon-electron interactions in bulk acoustic standing wave (BAW) resonators made from piezoelectric semiconductor (PS) materials. We show that these interactions constitute a significant energy loss mechanism and can set practical loss limits lower than anharmonic phonon scattering limits or thermoelastic damping limits. Secondly, we theoretically and experimentally demonstrate that phonon-electron interactions, under appropriate conditions, can result in a significant acoustic gain manifested as an improved quality factor (Q). Measurements on GaN resonators are consistent with the presented interaction model and demonstrate up to 35% dynamic improvement in Q. The strong dependencies of electron-mediated acoustic loss/gain on resonance frequency and material properties are investigated. Piezoelectric semiconductors are an extremely important class of electromechanical materials, and this work provides crucial insights for material choice, material properties, and device design to achieve low-loss PS-BAW resonators along with the unprecedented ability to dynamically tune resonator Q. PMID:25001100

  2. Effect of bulk aging on surface diffusion of glasses

    NASA Astrophysics Data System (ADS)

    Brian, Caleb W.; Zhu, Lei; Yu, Lian

    2014-02-01

    The effect of physical aging on surface diffusion has been determined for two organic glasses, Indomethacin and Nifedipine. The two systems exhibit similar aging kinetics typical of organic glasses. Surface diffusivity remains unchanged despite significant bulk aging that nearly equilibrates the systems and increases the bulk relaxation time by orders of magnitude. The finding is relevant for understanding the stability of amorphous materials and the formation of low-energy glasses by vapor deposition.

  3. Theory of raman scattering from molecules adsorbed at semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Ueba, H.

    1983-09-01

    A theory is presented to calculate the Raman polarizability of an adsorbed molecule at a semiconductor surface, where the electronic excitation in the molecular site interacts with excitons (elementary excitations in the semiconductor) through non-radiative energy transfer between them, in an intermediate state in the Raman scattering process. The Raman polarizability thus calculated is found to exhibit a peak at the energy corresponding to a resonant excitation of excitons, thereby suggesting the possibility of surface enhanced Raman scattering on semiconductor surfaces. The mechanism studied here can also give an explanation of a recent observation of the Raman excitation profiles of p-NDMA and p-DMAAB adsorbed on ZnO or TiO 2, where those profiles were best described by assuming a resonant intermediate state of the exciton transition in the semiconductors. It is also demonstrated that in addition to vibrational Raman scattering, excitonic Raman scattering of adsorbed molecules will occur in the coupled molecule-semiconductor system, where the molecular returns to its ground electronic state by leaving an exciton in the semiconductor. A spectrum of the excitonic Raman scattering is expected to appear in the background of the vibrational Raman band and to be characterized by the electronic structure of excitons. A desirable experiment is suggested for an examination of the theory.

  4. Zinc uptake by brain cells: `surface' versus `bulk'

    NASA Astrophysics Data System (ADS)

    DeStasio, Gelsomina; Pochon, S.; Lorusso, G. F.; Tonner, B. P.; Mercanti, Delio; Ciotti, M. Teresa; Oddo, Nino; Galli, Paolo; Perfetti, P.; Margaritondo, G.

    1996-08-01

    The uptake of zinc by cerebellar rat cultures upon exposure to 0022-3727/29/8/023/img12 solutions was comparatively investigated using two well known condensed matter physics techniques: synchrotron photoelectron spectromicroscopy and inductively coupled plasma atomic emission spectroscopy. The objective was to apply a strategy - well known in surface physics - to distinguish between `surface' and `bulk' phenomena. The results clearly demonstrate that exposure significantly enhances the bulk (cell cytoplasm) Zn concentration with respect to the physiological level, whereas the effect on the surface (cell membrane) is negligible.

  5. Photoacoustic spectroscopy of surface defects states of semiconductor samples

    NASA Astrophysics Data System (ADS)

    Maliński, M.; Zakrzewski, J.; Firszt, F.

    2008-01-01

    This paper presents both theoretical and experimental issues connected with measurements and numerical analysis of the microphone amplitude and phase photoacoustic spectra of semiconductor samples exhibiting surface absorption connected with defects states located on their surfaces. The analytical model of surface absorption in semiconductors is described and the results of computations are compared with experimental amplitude and phase spectra for Zn{0.965}Be{0.035}Se crystal samples. This paper shows the importance of the phase spectra for the proper interpretation of the PA (photoacoustic) results.

  6. Comparing multiple exciton generation in quantum dots to impact ionization in bulk semiconductors: implications for enhancement of solar energy conversion.

    PubMed

    Beard, Matthew C; Midgett, Aaron G; Hanna, Mark C; Luther, Joseph M; Hughes, Barbara K; Nozik, Arthur J

    2010-08-11

    Multiple exciton generation (MEG) in quantum dots (QDs) and impact ionization (II) in bulk semiconductors are processes that describe producing more than one electron-hole pair per absorbed photon. We derive expressions for the proper way to compare MEG in QDs with II in bulk semiconductors and argue that there are important differences in the photophysics between bulk semiconductors and QDs. Our analysis demonstrates that the fundamental unit of energy required to produce each electron-hole pair in a given QD is the band gap energy. We find that the efficiency of the multiplication process increases by at least 2 in PbSe QDs compared to bulk PbSe, while the competition between cooling and multiplication favors multiplication by a factor of 3 in QDs. We also demonstrate that power conversion efficiencies in QD solar cells exhibiting MEG can greatly exceed conversion efficiencies of their bulk counterparts, especially if the MEG threshold energy can be reduced toward twice the QD band gap energy, which requires a further increase in the MEG efficiency. Finally, we discuss the research challenges associated with achieving the maximum benefit of MEG in solar energy conversion since we show the threshold and efficiency are mathematically related. PMID:20698615

  7. Comparing Multiple Exciton Generation in Quantum Dots To Impact Ionization in Bulk Semiconductors: Implications for Enhancement of Solar Energy Conversion

    SciTech Connect

    Beard, Matthew C.; Midgett, Aaron G.; Hanna, Mark C.; Luther, Joseph M.; Hughes, Barbara K.; Nozik, Arthur J.

    2010-07-26

    Multiple exciton generation (MEG) in quantum dots (QDs) and impact ionization (II) in bulk semiconductors are processes that describe producing more than one electron-hole pair per absorbed photon. We derive expressions for the proper way to compare MEG in QDs with II in bulk semiconductors and argue that there are important differences in the photophysics between bulk semiconductors and QDs. Our analysis demonstrates that the fundamental unit of energy required to produce each electron-hole pair in a given QD is the band gap energy. We find that the efficiency of the multiplication process increases by at least 2 in PbSe QDs compared to bulk PbSe, while the competition between cooling and multiplication favors multiplication by a factor of 3 in QDs. We also demonstrate that power conversion efficiencies in QD solar cells exhibiting MEG can greatly exceed conversion efficiencies of their bulk counterparts, especially if the MEG threshold energy can be reduced toward twice the QD band gap energy, which requires a further increase in the MEG efficiency. Finally, we discuss the research challenges associated with achieving the maximum benefit of MEG in solar energy conversion since we show the threshold and efficiency are mathematically related.

  8. 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. PMID:23607819

  9. Metal-oxide-semiconductor photocapacitor for sensing surface plasmon polaritons

    NASA Astrophysics Data System (ADS)

    Khalilzade-Rezaie, Farnood; Peale, Robert E.; Panjwani, Deep; Smith, Christian W.; Nath, Janardan; Lodge, Michael; Ishigami, Masa; Nader, Nima; Vangala, Shiva; Yannuzzi, Mark; Cleary, Justin W.

    2015-09-01

    An electronic detector of surface plasmon polaritons (SPP) is reported. SPPs optically excited on a metal surface using a prism coupler are detected by using a close-coupled metal-oxide-semiconductor capacitor. Semitransparent metal and graphene gates function similarly. We report the dependence of the photoresponse on substrate carrier type, carrier concentration, and back-contact biasing.

  10. Low energy positrons as probes of reconstructed semiconductor surfaces.

    NASA Astrophysics Data System (ADS)

    Fazleev, Nail G.; Weiss, Alex H.

    2007-03-01

    Positron probes of semiconductor surfaces that play a fundamental role in modern science and technology are capable to non-destructively provide information that is both unique to the probe and complimentary to that extracted using other more standard techniques. We discuss recent progress in studies of the reconstructed Si(100), Si(111), Ge(100), and Ge(111) surfaces, clean and exposed to hydrogen and oxygen, using a surface characterization technique, Positron-Annihilation-Induced Auger-Electron Spectroscopy (PAES). Experimental PAES results are analyzed by performing first-principles calculations of positron surface states and annihilation probabilities of surface-trapped positrons with relevant core electrons for the reconstructed surfaces, taking into account discrete lattice effects, the electronic reorganization due to bonding, and charge redistribution effects at the surface. Effects of the hydrogen and oxygen adsorption on semiconductor surfaces on localization of positron surface state wave functions and annihilation characteristics are also analyzed. Theoretical calculations confirm that PAES intensities, which are proportional to annihilation probabilities of the surface trapped positrons that results in a core hole, are sensitive to the crystal face, surface structure and elemental content of the semiconductors.

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

    NASA Astrophysics Data System (ADS)

    Ezzahri, Younès; Joulain, Karl

    2014-06-01

    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.

  12. 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.

  13. Wideband model of a reflective tensile-strained bulk semiconductor optical amplifier

    NASA Astrophysics Data System (ADS)

    Connelly, M. J.

    2014-05-01

    Reflective semiconductor optical amplifiers (RSOAs) have shown promise for applications in WDM optical networks and in fiber ring mode-locked lasers. Polarization insensitive SOAs can be fabricated using tensile-strained bulk material and a rectangular cross section waveguide. The introduction of tensile strain can be used to compensate for the different confinement factors experienced by the waveguide TE and TM modes. There is a need for models that can be used to predict RSOA static characteristics such as the dependency of the signal gain on bias current and input optical power, the amplified spontaneous emission spectrum and noise figure. In this paper we extend our prior work on non-reflective SOAs to develop a static model that includes facet reflections. The model uses a detailed band structure description, which is used to determine the wavelength and carrier density dependency of the material gain and additive spontaneous emission. The model and includes a full geometrical description of the amplifier waveguide, including the input taper and the position dependency of the TE/TM confinement factors. The amplified signal and spontaneous emission are described by detailed travelling-wave equations and numerically solved in conjunction with a carrier density rate equation. The model uses material and geometric parameters for a commercially available RSOA. The versatility of the model is shown by several simulations that are used to predict the SOA operational characteristics as well as internal variables such as the amplified spontaneous emission and signal and the carrier density.

  14. 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.

  15. 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.

  16. 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.

  17. Method for making high resistance chromium-free semiconductor substrate body with low resistance active semiconductor layer by surface irradiation

    SciTech Connect

    Kniepkamp, H.

    1984-10-30

    A high resistance semiconductor substrate body with a thin low resistance active semiconductor layer thereon is generated by a method including the steps of subjecting the semiconductor substrate body to neutron bombardment to a degree which produces high resistance in the semiconductor body and whereby doping substances are generated in the substrate body by the thermal neutron bombardment. A thin low resistant active semiconductor layer is then generated on the substrate body by annealing, a surface of the semiconductor substrate body up to a selected depth by laser radiation or electron radiation such that the lattice deterioration which was caused by the neutron bombardment is eliminated but the doping which was generated by the transmutation of elements during neutron bombardment remains. The annealing can be undertaken only in selected regions on the surface of the semiconductor substrate body, thereby facilitating the construction of integrated circuit components thereon.

  18. 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

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

    PubMed

    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

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    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.

  1. Optical velocimeters for moving surfaces using gas and semiconductor lasers

    NASA Astrophysics Data System (ADS)

    Belousov, P. Ya.; Dubnistshev, Yu. N.; Meledin, V. G.

    1990-10-01

    A differential arrangement using a laser for the measurement of the velocity of moving surfaces is discussed. Configurations of optical velocimeters with diffraction beam-splitters are shown not to be critical on the wavelength stability of a semiconductor laser. Laser meters measuring the velocity and length of rolled stock have been built on the basis of the devices considered.

  2. 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.

  3. Molecular assembly at bare semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    McGuiness, Christine L.

    The formation of well-organized monolayers with highly reproducible structures by solution self assembly of octadecanethiol (ODT) on GaAs (001) and (011) surfaces at ambient temperature through rigorous control of assembly conditions is demonstrated. Using TOF-SIMs and HRXPS measurements, it is shown that ODT molecules form a direct S-GaAs attachment with little to no substrate oxidation and exhibit an overall thermal stability up to ˜100°C, lower than the same monolayers on Au{111} surfaces. Detailed characterization using a combination of ellipsometry, liquid drop contact angles, atomic force microscopy, near edge x-ray absorption fine structure, infrared spectroscopy and x-ray photoemission spectroscopy probes reveal a structure with conformationally ordered alkyl chains tilted 14 +/-1° from the surface normal with a 43 +/-5° twist, a highly oleophobic and hydrophobic ambient surface. On GaAs (111A) surfaces, the ODT monolayers also form a direct S-GaAs attachment with little to no substrate oxidation but the final monolayer structure is more disordered, with the alkyl chains tilted 25 +/-5° from surface normal with a 45 +/-5° twist, resulting in a less oleophobic and hydrophobic ambient surface. Further, in contrast to previously reported results with Na2S9H2O treatments, Raman scattering measurements reveal that the ODT monolayers do not significantly modify the near-surface electronic structure of GaAs. Analysis of the tilt angle and film thickness data in conjunction with grazing incidence x-ray diffraction measurements show that the monolayers form structures with a significant mismatch of the average adsorbate molecule spacings with the spacings of intrinsic GaAs crystal lattices. For the square surface lattices of GaAs (001) and (011), ODT monolayers are observed to form pseudo-hcp structures. On the hcp surface lattice of GaAs (111A) however, the monolayers form a true hcp structure. This suggests that formation of the monolayers is driven

  4. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-03-01

    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.

  6. Bulk ordering and surface segregation in Ni50Pt50

    NASA Astrophysics Data System (ADS)

    Pourovskii, L. V.; Ruban, A. V.; Abrikosov, I. A.; Vekilov, Y. Kh.; Johansson, B.

    2001-07-01

    Interatomic interactions obtained from the effective screened generalized-perturbation method have been applied in Monte Carlo simulations to derive the bulk and surface-alloy configurations for Ni50Pt50. The calculated order-disorder transition temperature and short-range order parameters in the bulk compare well with experimental data. The surface-alloy compositions for the (111) and (110) facets above the ordering transition temperature are also found to be in a good agreement with experiments. It is demonstrated that the segregation profile at the (110) surface of NiPt is mainly caused by the unusually strong segregation of Pt into the second layer and the interlayer ordering due to large chemical nearest-neighbor interactions.

  7. Efficient coupling of light to graphene plasmons by compressing surface polaritons with tapered bulk materials.

    PubMed

    Nikitin, A Yu; Alonso-González, P; Hillenbrand, R

    2014-05-14

    Graphene plasmons promise exciting nanophotonic and optoelectronic applications. Owing to their extremely short wavelengths, however, the efficient coupling of photons to propagating graphene plasmons-critical for the development of future devices-can be challenging. Here, we propose and numerically demonstrate coupling between infrared photons and graphene plasmons by the compression of surface polaritons on tapered bulk slabs of both polar and doped semiconductor materials. Propagation of surface phonon polaritons (in SiC) and surface plasmon polaritons (in n-GaAs) along the tapered slabs compresses the polariton wavelengths from several micrometers to around 200 nm, which perfectly matches the wavelengths of graphene plasmons. The proposed coupling device allows for a 25% conversion of the incident energy into graphene plasmons and, therefore, could become an efficient route toward graphene plasmon circuitry. PMID:24773123

  8. 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

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

    NASA Astrophysics Data System (ADS)

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

    2013-11-01

    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.

  10. Semiconductor surface sublimation energies and atom-atom interactions

    NASA Technical Reports Server (NTRS)

    Krishnamurthy, Srinivasan; Berding, M. A.; Sher, A.; Chen, A.-B.

    1990-01-01

    The energy required to remove an atom from semiconductor surfaces is calculated using a Green's-function approach. Contrary to intuition, it is found that, in some cases, less energy is needed to remove an atom from the nearly full surface than from a nearly empty surface. The results are explained in terms of the relative energies of anion and cation dangling bonds, and the charge transfers between them. The deducted effective pair-interaction energies and their effects on surface morphology and growth perfection are discussed.

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

    PubMed

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

    2011-10-01

    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. PMID:21875110

  12. Surface and bulk reconstruction of Pt(111) 1 × 1

    NASA Astrophysics Data System (ADS)

    Gallego, S.; Ocal, C.; Soria, F.

    1997-04-01

    A new structural analysis of the Pt(111) 1 × 1 surface by low energy electron diffraction gives an unexpected lattice parameter compression of a o=3.904 Å with respect to the crystallographic value of 3.924 Å, yielding a Pendry R-factor of 0.078. This implies a 0.5% contraction for both the in-plane lattice parameter, a p=2.761 Å, and bulk vertical interplanar distances, d b=2.25 Å, as compared to the crystallographic values of 2.775 and 2.265 Å, respectively. The topmost surface layer exhibits an expansion of 0.9%, 2.285 Å, and the second a contraction of 0.9%, 2.245 Å. Deeper layers are bulk layers.

  13. Bulk and surface structure of a ternary microemulsion

    SciTech Connect

    Lee, D.D.; Chen, S.H.; Satija, S.K.; Majkrzak, C.F.

    1995-12-31

    Microemulsions are isotropic mixtures of water, oil, and surfactant which self-assemble to form interfacial monolayers with a characteristic length scale on the order of hundreds of Angstroms. Small angle neutron scattering was sued to determine the bulk structure of a water-octane-C{sub 10}E{sub 4} bicontinuous microemulsion. The mean curvature of the surfactant film was verified to be near zero by independently measuring the scattering contributions form the water-surfactant and oil-surfactant interfaces through hydrogen-deuterium contrast variation. The exponentially damped, oscillatory scattering length density profile of the microemulsion near a hydrophobic silicon surface was also observed with neutron reflectivity. The surface reflectivity results as well as the bulk small angle scattering measurements are explained using a simple Ginzburg-Landau theory.

  14. 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.

  15. Examining surface and bulk structures using combined nonlinear vibrational spectroscopies.

    PubMed

    Zhang, Chi; Wang, Jie; Khmaladze, Alexander; Liu, Yuwei; Ding, Bei; Jasensky, Joshua; Chen, Zhan

    2011-06-15

    We combined sum-frequency generation (SFG) vibrational spectroscopy with coherent anti-Stokes Raman scattering (CARS) spectroscopy in one system to examine both surface and bulk structures of materials with the same geometry and without the need to move the sample. Poly(methyl methacrylate) (PMMA) and polystyrene (PS) thin films were tested before and after plasma treatment. The sensitivities of SFG and CARS were tested by varying polymer film thickness and using a lipid monolayer. PMID:21685990

  16. Comparison of bulk- and surface-micromachined pressure sensors

    SciTech Connect

    Eaton, W.P.; Smith, J.H.; Monk, D.J.; O`Brien, G.; Miller, T.F.

    1998-08-01

    Two piezoresistive micromachined pressure sensors were compared: a commercially available bulk-micromachined (BM) pressure sensor and an experimental surface-micromachined (SM) pressure sensor. While the SM parts had significantly smaller die sizes, they were outperformed in most areas by the BM parts. This was due primarily to the smaller piezoresistive gauge factor in the polysilicon piezoresistors in the SM parts compared to the single crystal strain gauge used in the BM parts.

  17. 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.

  18. Formation and properties of metallic nanoparticles on compound semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Kang, Myungkoo

    When electromagnetic radiation is incident upon metallic nanoparticles (NPs), a collective oscillation, termed a surface plasmon resonance (SPR), is generated. Recently, metallic NPs on semiconductor surfaces have enabled the generation of SPR, promising for enhanced light emission, efficient solar energy harvesting, biosensing, and metamaterials. Metallic NPs have been fabricated by focused ion beam (FIB) which has an advantage of cost-effectiveness over conventional lithography process requiring multi-step processes. Here, we report formation and properties of FIB-induced metallic NPs on compound semiconductor surfaces. Results presented in this thesis study suggest that FIB-induced Ga NPs can be a promising alternative plasmonic material. In particular, using a combined experimental-computational approach, we discovered a universal mechanism for ion-induced NP formation, which is governed by the sputtering yield of semiconductor surfaces. We also discovered a governing mechanism for ion-induced NP motion, which is driven by thermal fluctuation and anisotropic mass transport. Furthermore, we demonstrated Ga NP arrays with plasmon resonances with performance comparable to those of traditionally-used silver and gold NPs. We then finally demonstrated the Ga NP plasmoninduced enhancement of light emission from GaAs, which is the first ever combination of a new plasmonic material (Ga) and a new fabrication method (FIB) for the plasmon-enhanced light emission.

  19. 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. PMID:25393015

  20. Analysis of spurious bulk waves in ball surface wave device.

    PubMed

    Ishikawa, Satoru; Cho, Hideo; Tsukahara, Yusuke; Nakaso, Noritaka; Yamanaka, Kazushi

    2003-01-01

    We analyzed the acoustic waves propagating in a sphere to establish a useful guideline for the design of NDE apparatus and ball surface acoustic wave (SAW) device exploiting the diffraction-free propagation of SAW on a sphere. First, we calculated the laser-generated acoustic displacements both under ablation condition and under thermoelastic condition and verified experimentally the validity of the calculation. Next, the acoustic waves excited by out-of-plane stress and those excited by in-plane stress were compared. The results showed that when the out-of-plane stress was applied, the relative amplitudes of the bulk waves to that of the SAW were larger and the number of bulk waves was larger than that when the in-plane stress was applied, while the SAW had similar waveforms in each case. The ratio of the relative amplitude of the bulk waves for the out-of-plane stress and the in-plane stress was 3.1:1 at phi(1)=90 degrees and 1.67:1 at phi(1)=0 degrees. The large amplitude for the out-of-plane stress can be explained by wide directivities of bulk waves. Consequently, we found that it is necessary for ball SAW device to select a piezoelectric material and form of interdigital transducer so that the in-plane stress becomes dominant. PMID:12464407

  1. Differentiating surface and bulk interactions in nanoplasmonic interferometric sensor arrays

    NASA Astrophysics Data System (ADS)

    Zeng, Beibei; Gao, Yongkang; Bartoli, Filbert J.

    2014-11-01

    Detecting specific target analytes and differentiating them from interfering background effects is a crucial but challenging task in complex multi-component solutions commonly encountered in environmental, chemical, biological, and medical sensing applications. Here we present a simple nanoplasmonic interferometric sensor platform that can differentiate the adsorption of a thin protein layer on the sensor surface (surface effects) from bulk refractive index changes (interfering background effects) at a single sensing spot, exploiting the different penetration depths of multiple propagating surface plasmon polaritons excited in the ring-hole nanoplasmonic sensors. A monolayer of bovine serum albumin (BSA) molecules with an effective thickness of 1.91 nm is detected and differentiated from a 10-3 change in refractive index unit for the bulk solution. The noise level of the retrieved real-time sensor output compares favorably with that of traditional prism-based surface plasmon resonance sensors, but is achieved using a significantly simpler collinear transmission geometry and a miniaturized sensor footprint.Detecting specific target analytes and differentiating them from interfering background effects is a crucial but challenging task in complex multi-component solutions commonly encountered in environmental, chemical, biological, and medical sensing applications. Here we present a simple nanoplasmonic interferometric sensor platform that can differentiate the adsorption of a thin protein layer on the sensor surface (surface effects) from bulk refractive index changes (interfering background effects) at a single sensing spot, exploiting the different penetration depths of multiple propagating surface plasmon polaritons excited in the ring-hole nanoplasmonic sensors. A monolayer of bovine serum albumin (BSA) molecules with an effective thickness of 1.91 nm is detected and differentiated from a 10-3 change in refractive index unit for the bulk solution. The noise level

  2. Characterization of semiconductor surface-emitting laser wafers

    SciTech Connect

    Gourley, P.L.; Vawter, G.A.; Brennan, T.M.; Hammons, B.E.

    1990-01-01

    The development of epitaxial semiconductor surface-emitting lasers has begun in recent years. These lasers are ultra-short (few {mu}m) Fabry-Perot resonators comprising epitaxial multilayer semiconductor mirrors and quantum well active regions. The resonators are single crystals grown along the lasing axis by molecular beam epitaxy (MBE) or chemical vapor deposition (CVD). They offer significant advances over conventional cleaved, edge-emitting lasers for creating lasers with single elements of 2 dimensional arrays, low beam divergence, engineered active regions, single longitudinal modes, and improved temperature characteristics. To realize the high potential of these new laser structures, techniques for characterizing the laser wafer after growth and between fabrication steps must be developed. In this paper we discuss several optical techniques that we have developed for this emerging surface-emitting laser technology.

  3. 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.

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

    NASA Astrophysics Data System (ADS)

    Gaury, Benoit; Haney, Paul M.

    2016-03-01

    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), a 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.

  5. 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

  6. Compton Scattering from Bulk and Surface of Water

    NASA Astrophysics Data System (ADS)

    Wang, Wenjie; Kuzmenko, Ivan; Vaknin, David

    2014-03-01

    Elastic and Compton scattering at grazing angle X-ray incidence from water show distinct behaviors below and above the critical angle for total reflections suggesting surface restructuring of the water surface. Using X-ray synchrotron radiation in reflectivity mode, we collect the Thomson and Compton scattering signals with energy dispersive detector at various angles near the normal to surface as a function of the angle of incidence. Analysis of the ratio between the Thomson and Compton intensity above the critical angle (which mainly probes bulk water) is a constant as expected from incoherent scattering from single water molecule, whereas the signal from the surface shows strong angular dependence on the incident angle. Although we do not fully understand the phenomena, we attribute the observation to more organized water at the interface. Ames Laboratory, DOE under contract No. DE-AC02-07CH11358 and Advanced Photon Source, DOE under contract No. DE-AC02-06CH11357.

  7. Surface and Bulk Thermal Dehydroxylation of FeOOH Polymorphs.

    PubMed

    Song, Xiaowei; Boily, Jean-François

    2016-08-11

    In this study, bulk and surface thermal decomposition of synthetic iron oxyhydroxides to iron oxides was followed using the temperature-programmed desorption (TPD) technique. Submicron-sized akaganéite (β-FeOOH), rod- and lath-shaped lepidocrocite (γ-FeOOH), and goethite (α-FeOOH) particles were heated in vacuo in the 30-400 °C range, and their OH vibrational modes were monitored by Fourier transform infrared (FTIR) spectroscopy while H2O(g) release was monitored by quadrupole mass spectrometry. Peak thermal dehydroxylation temperatures were larger in the order of lath lepidocrocite (200 °C) < akaganéite (200/260 °C) < rod lepidocrocite (268 °C) < goethite (293 °C). Pre-equilibration of these particles to aqueous solutions of HCl increased dehydroxylation temperatures of all minerals except goethite by 13-40 °C. These shifts were explained by (1) the dissolution of particles or regions of particles of lower degree of crystallinity by HCl, as well as (2) the strengthening of the hydrogen bond environment in the akaganéite bulk. The latter is a means of facilitating H2O(g) formation via interactions between two adjacent OH groups. Strongly analogous forms of interactions at the FeOOH particle surfaces were also shown to facilitate the release of singly coordinated (-OH) hydroxo groups to the gas phase at temperatures lower than 125 °C, thus creating OH vacancies that may be actively involved in the transfer of bulk to surface OH groups during thermal dehydroxylation. Doubly- (μ-OH) and triply- (μ3-OH) coordinated hydroxo groups were however resilient to exchange under those conditions, and their dehydroxylation was strongly congruent with that of bulk OH groups. By resolving the bulk and surface thermal decomposition of FeOOH polymorphs, this work provides clearer insight into the fate of these materials in natural and technological settings where important thermal gradients are commonplace. PMID:27426101

  8. Surface melting of clusters and implications for bulk matter

    NASA Astrophysics Data System (ADS)

    Cheng, Hai-Ping; Berry, R. Stephen

    1992-06-01

    Surface melting on clusters is investigated by a combination of analytic modeling and computer simulation. Homogeneous argonlike clusters bound by Lennard-Jones forces and Cu-like clusters bound by ``embedded-atom'' potentials are the systems considered. Molecular-dynamics calculations have been carried out for clusters with 40-147 atoms. Well below the bulk melting temperature, the surfaces become very soft, exhibiting well-defined diffusion constants even while the cores remain nearly rigid and solidlike. The simulations, particularly animations, of atomic motion reveal that the surface melting is associated not with amorphous, random surface structures in constant, irregular motion, but rather with large-amplitude, organized, collective motion of most of the surface atoms accompanied by a few detached atoms (``floaters'') and holes. At any time, a few of the surface atoms are out of the surface layer, leaving vacancies; these promoted particles wander diffusively, the holes also but less so; the floaters occasionally exchange with atoms in the surface layer. This result is the basis for an analytic, statistical model. The caloric curves, particularly the latent heats, together with the results from an analytical model, show that surface melting of clusters is a ``phase change'' different from the homogeneous melting of clusters.

  9. Atomic-scale theoretical investigations of compound semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Srivastava, G. P.

    2005-05-01

    Atomic-scale theoretical investigations of clean and covered low-index surfaces of compound semiconductors are presented. Particular emphasis is laid on the role of the electron counting rule (ECR) in governing plausible surface reconstructions. Trends are presented for the characeristic tilt of the topmost atomic layer and the highest localised phonon mode on nonpolar III-V(1 1 0) surfaces, including III-nitride compounds. Reconstructions and electronic properties of polar surfaces are explained in terms of dimer formation on (0 0 1), and trimer and/or chain formation on (1 1 1) faces. It is pointed out that some surface reconstructions stabilise as a result of a balance between the ECR and minimization of adsorbate-induced local distortion. This is demonstrated for the long-range ordered reconstruction on the Sb:GaAs(1 1 1)B surface.

  10. Ultrafast optical studies of surface reaction processes at semiconductor interfaces

    SciTech Connect

    Miller, R.J.D.

    1993-03-01

    Rectifying properties of semiconductor liquid junctions make them a simple system for converting and storing optical energy. However, interfacial electron or hole carrier transfer and competing non-radiative (energy loss) channels are not well understood at surfaces. This research has explored the use of three optical techniques, Surface Space Charge Electrooptic Sampling, Surface Restricted Transient Grating Spectroscopy, and Femtosecond Optical Kerr Spectroscopy (OKE) to obtain time evolution of the surface spatial distribution of photogenerated charge carriers, photocarrier population dynamics at semiconductor interfaces, and solvent modes responsible for charge localization and separation. These studies have shown that carriers arrive at GaAs(100) surfaces on the hundred femtosecond time scale. Improvements in time resolution, using surface grating spectroscopy, have shown interfacial hole transfer is occurring on the picosecond time scale. The OKE approach to solvent dynamics has determined the response of water to a field is multiexpontential with a major relaxation component of 100 femtoseconds. The observed interfacial hole transfer to Se[sup [minus]2] acceptors is occurring on this same time scale. This observation illustrates charge transfer processes can occur in the strong electronic coupling limit and can be competitive with carrier thermalization.

  11. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-04-01

    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.

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

    PubMed

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

    2014-04-01

    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. PMID:24784628

  14. On the dependence of bulk properties on surfaces

    NASA Astrophysics Data System (ADS)

    Springborg, Michael; Kirtman, Bernard; Tevekeliyska, Violina

    2012-12-01

    By modifying the surfaces of large, regular systems it is possible to modify the polarization of the macroscopic system, although the polarization can only be modified in units of a lattice vector times the elemental charge. Alternatively, when treating the system as being infinite and periodic, there is no surface. In that case the definition of the polarization contains a so-far undefined additive constant of a lattice vector times the elemental charge. We show that the two cases are equivalent, although the reasons behind the 'unknown' additive constants in the two cases are very different. Subsequently, we show that the response of extended systems to electrostatic fields, including internal structure, piezoelectricity, bulk charge density, and (hyper)polarizabilities, depends on the additive constants, i.e., on the surfaces.

  15. Synthetic Strategies for Semiconductor Nanocrystals Expressing Localized Surface Plasmon Resonance.

    PubMed

    Niezgoda, J Scott; Rosenthal, Sandra J

    2016-03-01

    The field of semiconductor plasmonics has grown rapidly since its outset, only roughly six years ago, and now includes many crystalline substances ranging from GeTe to wide-bandgap transition-metal oxides. One byproduct of this proliferation is the sea of differing synthetic methods to realize localized surface plasmon resonances (LSPRs) based on the studied material. Strategies vary widely from material to material, but all have the common goal of introducing extremely high carrier densities to the semiconductor system. This doping results in tunable, size-quantized, and on/off-switchable LSPR modes, which are a complete departure from traditional metal-nanoparticle-based plasmon resonances. This Minireview will provide an overview of the current state of nanocrystal and quantum-dot plasmonics and the physical basis thereof, however its main purpose is to summarize the methods for realizing LSPRs in the various syntheses and systems that have been reported to date. PMID:26530667

  16. 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

  17. Enhanced Infrared Magneto-Optical Response of the Nonmagnetic Semiconductor BiTeI Driven by Bulk Rashba Splitting

    NASA Astrophysics Data System (ADS)

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

    2012-10-01

    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 3T). 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. 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

    2013-06-01

    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. PMID:23649298

  19. Adhesion: role of bulk viscoelasticity and surface roughness

    NASA Astrophysics Data System (ADS)

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

    2013-06-01

    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.

  20. Predefined planar structures in semiconductor surfaces patterned by NSOM lithography

    NASA Astrophysics Data System (ADS)

    Lettrichova, Ivana; Pudis, Dusan; Laurencikova, Agata; Hasenohrl, Stanislav; Novak, Jozef; Skriniarova, Jaroslava; Kovac, Jaroslav

    2013-09-01

    Near-field scanning optical microscope (NSOM) lithography is one of optical technologies for planar structure fabrication, where exposure process is performed by optical near field produced at tip of fiber probe. Maskless exposure of defined regions is performed so that different periodic and predefined arrangement can be achieved. In this contribution, NSOM lithography is presented as effective tool for semiconductor device surface patterning. Non-contact mode of NSOM lithography was used to pattern planar predefined structures in GaAs, AlGaAs and GaP surfaces. In this way, GaAs/AlGaAs-based LED with patterned structure in the emitting surface was prepared, where patterned air holes show enhancement of radiation in comparison with the surrounding surface. Furthermore, NSOM in combination with lift-off technique was used to prepare metal-catalyst particles on GaP substrate for subsequent growth of GaP nanowires which can be used in photovoltaic applications.

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

    PubMed

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

    2015-01-01

    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

  2. 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.

  3. 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

  4. Inverted xerographic depletion discharge mechanism for the dark decay of electrostatic surface potential on amorphous semiconductors

    SciTech Connect

    Kasap, S.O.

    1988-07-01

    Recently, the xerographic depletion discharge (XDD) model has been applied extensively to chemically modified a-Se, a-Se/sub 1/..sqrt../sub x/Te/sub x/ alloys, and a-As/sub 2/Se/sub 3/ as well as to a-Si:H films to study the nature of charge carrier generation from deep mobility gap states which control the dark decay of the electrostatic surface potential on a corona charged amorphous semiconductor. In the normal XDD model, the dark discharge involves bulk thermal generation of a mobile carrier of the same sign as the surface charge and its subsequent sweep out from the sample leaving behind an ionized center of opposite charge. It is shown that an ''inverted depletion discharge'' mechanism, which involves the thermal generation of a mobile charge carrier of the opposite sign to the surface charge and its subsequent drift to the surface and the resulting surface charge neutralization there, results in a dark discharge rate which has identical features as the normal XDD mechanism. In the normal XDD mechanism, the neutral region develops after the depletion time from the grounded electrode, whereas in the inverted XDD mechanism the neutral region grows from the surface. Furthermore, during inverted depletion discharge the surface charge is actually dissipated by neutralization, whereas in the normal depletion discharge model there is no such requirement over the time scale of the experiment. It is concluded that xerographic dark decay experiments alone cannot determine the sign of the thermally generated mobile carrier and that of the bulk space charge. Chemically modified amorphous selenium case is discussed as an example of surface potential decay resulting from bulk space-charge buildup.

  5. Surface properties of semiconductor analogs of CdBVI and their solid substitution solutions

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    The physicochemical (acidic-basic, adsorption, and electrophysical) surface properties of binary semiconductor analogs of CdBVI (CdTe, CdSe, and CdS), and (CdTe) x (CdSe)1- x , and (CdTe) x (CdS)1- x solid substitution solutions were studied using modern methods and equipment. The nature of the active centers and the mechanisms of acidic-basic, adsorption (involving CO), and electronic interactions, interrelated tendencies in variation of the surface properties under study, and their correlations with the known bulk physicochemical properties were elucidated; the property-composition diagrams were constructed, which were used to reveal the most active adsorbents suggested for use as materials for CO (carbon monoxide) microimpurity sensors.

  6. Bulk and surface characterization of novel photoresponsive polymeric systems

    NASA Astrophysics Data System (ADS)

    Venkataramani, Shivshankar

    This dissertation presents a detailed characterization of two important classes of photoresponsive polymers-polydiacetylenes (PDAs) and azopolymers. Bulk and surface characterization techniques were used to evaluate the structure-property relationships of the PDAs and surface characterization, in particular-atomic force microscopy (AFM) was used to characterize the azopolymers. PDAs from bis-alkylurethanes of 5,7 dodecadiyn 1,12-diol (viz.,) ETCD, IPUDO and PUDO are of particular interest in view of reports of reversible thermochromic and photochromic phase transitions in these materials. Thermochromism in the above PDAs is associated with a first order phase transition involving expansion of the crystallographic unit cell, the preservation of the urethane hydrogen bonding and possibly some relief of mechanical strain upon heating. Insights into thermochromism obtained from studies of nonthermochromic forms of PDA-ETCD are discussed. Some of the bulk characterization experiments reported In the literature are repeated. The motivation to investigate the surface morphology of the PDA single crystals using AFM was derived from Raman spectroscopy studies of various PDAs in which dispersion of the Raman spectrum indicating surface heterogeneity was observed. Micron scale as well as molecularly resolved images were obtained The micron scale images indicated a variable surface of the crystals. The molecularly resolved images showed a well defined 2-D lattice and are interpreted in terms of known crystallographic data. The surface parameters obtained from AFM measurements are similar to those determined from X-ray diffraction. During an attempt of AFM imaging of IPUDO crystals exposed to 254 nm ultraviolet light, it was observed that these crystals undergo a "macroscopic shattering". In the interest of rigorously defining conditions for photochromism, this research has undertaken a combined study of the surface morphology of the above mentioned PDA crystals by AFM and the

  7. 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).

  8. 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.

  9. Bulk and surface polymer composites prepared in supercritical carbon dioxide

    NASA Astrophysics Data System (ADS)

    Kung, Edward

    This dissertation describes the use of supercritical carbon dioxide (SC CO2) as an aid in fabricating polymer/polymer composites. Monomers and initiators were infused into solid polymer substrates using SC CO 2. The monomers were subsequently polymerized within the substrates to form composites. CO2 swells the polymer substrate and increases the diffusively of reactants within the substrate. The solvent strength of SC CO2 is tunable allowing control over the degree of swelling and over the partitioning behavior of the reactants. CO2 can be easily removed from the final products. First, polystyrene/polyethylene bulk composites were investigated. Styrene and a radical initiator were infused into and reacted throughout the bulk of polyethylene substrates. The composite composition was controlled by controlling infusion time, reaction time and partitioning conditions. Characterization of the composites showed that the crystalline domains of the polyethylene were unaffected. Styrene infused into and polymerized within only the amorphous domains of polyethylene. Polyethylene and polystyrene are immiscible; the semicrystalline nature of polyethylene frustrated gross phase separation of the polystyrene. The resulting "kinetically trapped" phase morphology gave the composites interesting mechanical properties. The phase morphology was characterized, and the polystyrene was found to reside within the interlamellar regions and the centers of the polyethylene spherulites. The polystyrene formed a continuous "scaffold" that reinforced the polyethylene. The reinforcement provided efficient and dramatic improvement in the composite modulus and strength. However, the composites fracture toughness decreased with increasing polystyrene content. The fracture behavior was correlated to the microstructural damage mechanisms in the composites. Second, surface composites were investigated. Using a two-stage process, ethyl 2-cyanoacrylate (ECA) monomer was anionically polymerized in the

  10. Utilization of novel atom sources in studies of semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Wolan, John Thaddeus

    Nanometer-scale characterization of semiconductor surfaces is very important for precise control of the ultrafine structures necessary for the realization of devices using quantum confinement. The performance of these heterojunction devices is strongly dependent on interface quality. In the case of III-V semiconductors, the major problem is the presence of the native oxide layer and surface carbon contamination. This carbon is strongly bonded to the III-V surface even after ion-etching and high temperature annealing and induces a free-carrier depletion region at the substrate-epilayer interface. Furthermore, native oxides on GaAs and InP surfaces are detrimental to the formation of stable interfaces and can result in defective epitaxial growth, inducing undesirable electrical characteristics to the device so they must be removed without damaging the near-surface region. A surface characterization study using ion scattering spectroscopy (ISS) and X-ray photoelectron spectroscopy (XPS) has been performed on GaAs(001) and InP(111) substrates before and after cleaning by ion sputtering/annealing cycles and room temperature exposure to the flux produced by a novel atomic hydrogen source based on electron-stimulated desorption (ESD) to determine any treatment-induced alterations. In order to realize high performance III-V circuits, the preparation of a good quality passivating oxide interface is necessary. Device quality oxide-(III-V) interface fabrication will certainly depend on the composition of the oxide interface and any possible damage induced by the oxidation process. In the case of GaAs, thermal oxides and formation of thick oxides (which actually is diffusion-controlled and possibly close to thermal equilibrium) usually results in non-stoichiometric films of Gasb2Osb3 and Assb2Osb3 as well as a pile-up of elemental As at the GaAs-oxide interface. This structure is predicted by the Ga-O-As phase diagram, but it provides poor electrical isolation and surface

  11. 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.

  12. 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.

  13. Indirect coupling of an organic semiconductor to a d -orbital surface state

    NASA Astrophysics Data System (ADS)

    Wang, Jingying; Dougherty, Daniel B.

    2015-10-01

    Adsorption of the organic semiconductor perylene tetracarboxylic dianhydride onto Cr (001 ) decreases the metal d -derived surface-state lifetime without causing a shift in its energy. This suggests an indirect electronic interaction that contrasts sharply with expectations of p-d electronic coupling based on direct chemisorption. Lifetime changes are measured with scanning tunneling spectroscopy as a function of temperature and quantified as arising from a molecule-induced increase in electron-electron scattering rate into bulk bands within Fermi-liquid theory. Adsorbate-induced effects extend far beyond the adsorption site of the molecule, decaying exponentially away with a characteristic length scale of ˜2.4 nm , similar to the carrier mean free path in Cr.

  14. Bulk and surface light scattering from transparent silica aerogel

    NASA Astrophysics Data System (ADS)

    Platzer, Werner J.; Bergkvist, Mikael

    1992-11-01

    Elastic light scattering has been used to study structural properties of different transparent aerogels, which may be used as filling materials in super-windows. With a goniometer having an angular resolution better than 0.6 degree(s) and a He-Ne laser as the light source we investigated the angular distribution of scattered intensity from transparent silica aerogels and one xerogel. The densities ranged between 0.11 and 0.60 gcm-3. An exponential correlation function for the density fluctuations of a random porous medium has been utilized to analyze the large-angle scattering, which is dominated by bulk scattering, for different polarization of the incident light. The determination of correlation lengths in the nanometer range was possible, because the absolute scattering intensities were determined. For relative angular dependence measurements, this range would have been accessible only to small angle x-ray scattering (SAXS). The resulting mean pore sizes between 8 nm and 50 nm and specific surface areas between 500 and 700 m2/g agree well with nitrogen-porosimetry data from the literature. The data compare quite well with correlation lengths calculated from specular transmittance data from an ordinary spectrophotometer. This method, which is not sensitive to the angular distribution of superposed forward scattering with large correlation lengths, has also been applied to a series of base-catalyzed TMOS aerogels with different catalyst concentrations. The forward scattering peak of the signal may be attributed to correlation lengths in the micrometer range. Experimental results for aerogel surfaces with evaporated aluminum indicate that this might be due to the surface properties. A quantitative analysis, however, is not possible yet.

  15. Atomistic simulations of bulk, surface and interfacial polymer properties

    NASA Astrophysics Data System (ADS)

    Natarajan, Upendra

    In chapter I, quasi-static molecular mechanics based simulations are used to estimate the activation energy of phenoxy rings flips in the amorphous region of a semicrystalline polyimide. Intra and intermolecular contributions to the flip activation energy, the torsional cooperativity accompanying the flip, and the effect of the flip on the motion in the glassy bulk state, are looked at. Also, comparison of the weighted mean activation energy is made with experimental data from solid state NMR measurements; the simulated value being 17.5 kcal/mol., while the experimental value was observed to be 10.5 kcal/mol. Chapter II deals with construction of random copolymer thin films of styrene-butadiene (SB) and styrene-butadiene-acrylonitrile (SBA). The structure and properties of the free surfaces presented by these thin films are analysed by, the atom mass density profiles, backbone bond orientation function, and the spatial distribution of acrylonitrile groups and styrene rings. The surface energies of SB and SBA are calculated using an atomistic equation and are compared with experimental data in the literature. In chapter III, simulations of polymer-polymer interfaces between like and unlike polymers, specifically cis-polybutadiene (PBD) and atatic polypropylene (PP), are presented. The structure of an incompatible polymer-polymer interface, and the estimation of the thermodynamic work of adhesion and interfacial energy between different incompatible polymers, form the focus here. The work of adhesion is calculated using an atomistic equation and is further used in a macroscopic equation to estimate the interfacial energy. The interfacial energy is compared with typical values for other immiscible systems in the literature. The interfacial energy compared very well with interfacial energy values for a few other immiscible hydrocarbon pairs. In chapter IV, the study proceeds to look at the interactions between nonpolar and polar small molecules with SB and SBA thin

  16. 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.

  17. Role of Quantum and Surface-State Effects in the Bulk Fermi-Level Position of Ultrathin Bi Films.

    PubMed

    Hirahara, T; Shirai, T; Hajiri, T; Matsunami, M; Tanaka, K; Kimura, S; Hasegawa, S; Kobayashi, K

    2015-09-01

    We performed high-resolution photon-energy and polarization-dependent ARPES measurements on ultrathin Bi(111) films [6-180 bilayers (BL), 2.5-70 nm thick] formed on Si(111). In addition to the extensively studied surface states (SSs), the edge of the bulk valence band was clearly measured by using S-polarized light. We found direct evidence that this valence band edge, which forms a hole pocket in the bulk Bi crystal, does not cross the Fermi level for the 180 BL thick film. This is consistent with the predicted semimetal-to-semiconductor transition due to the quantum-size effect [V.B. Sandomirskii, Sov. Phys. JETP 25, 101 (1967)]. However, it became metallic again when the film thickness was decreased (below 30 BL). A plausible explanation for this phenomenon is the modification of the charge neutrality condition due to the size effect of the SSs. PMID:26382694

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

    NASA Astrophysics Data System (ADS)

    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.

  19. 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. PMID:27587178

  20. 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

  1. Surface chemistry relevant to material processing for semiconductor devices

    NASA Astrophysics Data System (ADS)

    Okada, Lynne Aiko

    Metal-oxide-semiconductor (MOS) structures are the core of many modern integrated circuit (IC) devices. Each material utilized in the different regions of the device has its own unique chemistry. Silicon is the base semiconductor material used in the majority of these devices. With IC device complexity increasing and device dimensions decreasing, understanding material interactions and processing becomes increasingly critical. Hsb2 desorption is the rate-limiting step in silicon growth using silane under low temperature conditions. Activation energies for Hsb2 desorption measured during Si chemical vapor deposition (CVD) versus single-crystal studies are found to be significantly lower. It has been proposed that defect sites on the silicon surface could explain the observed differences. Isothermal Hsb2 desorption studies using laser induced thermal desorption (LITD) techniques have addressed this issue. The growth of low temperature oxides is another relevant issue for fabrication of IC devices. Recent studies using 1,4-disilabutane (DSB) (SiHsb3CHsb2CHsb2SiHsb3) at 100sp°C in ambient Osb2 displayed the successful low temperature growth of silicon dioxide (SiOsb2). However, these studies provided no information about the deposition mechanism. We performed LITD and Fourier transform infrared (FTIR) studies on single-crystal and porous silicon surfaces to examine the adsorption, decomposition, and desorption processes to determine the deposition mechanism. Titanium nitride (TiN) diffusion barriers are necessary in modern metallization structures. Controlled deposition using titanium tetrachloride (TiClsb4) and ammonia (NHsb3) has been demonstrated using atomic layered processing (ALP) techniques. We intended to study the sequential deposition method by monitoring the surface intermediates using LITD techniques. However, formation of a Cl impurity source, ammonium chloride (NHsb4sp+Clsp-), was observed, thereby, limiting our ability for effective studies. Tetrakis

  2. Diffusion length measurements in bulk and epitaxially grown 3-5 semiconductors using charge collection microscopy

    NASA Technical Reports Server (NTRS)

    Leon, R. P.

    1987-01-01

    Diffusion lengths and surface recombination velocities were measured in GaAs diodes and InP finished solar cells. The basic techniques used was charge collection microscopy also known as electron beam induced current (EBIC). The normalized currents and distances from the pn junction were read directly from the calibrated curves obtained while using the line scan mode in an SEM. These values were then equated to integral and infinite series expressions resulting from the solution of the diffusion equation with both extended generation and point generation functions. This expands previous work by examining both thin and thick samples. The surface recombination velocity was either treated as an unknown in a system of two equations, or measured directly using low e(-) beam accelerating voltages. These techniques give accurate results by accounting for the effects of surface recombination and the finite size of the generation volume.

  3. Theoretical studies of electronic band-tail states, Anderson transition and surfaces of amorphous semiconductors

    NASA Astrophysics Data System (ADS)

    Dong, Jianjun

    In this dissertation, we study the Anderson transition within the electronic band tail states, and amorphous surfaces. The disorder induced band tail states is one of the unique character of amorphous semiconductors. Because of the proximity to the Fermi level, the nature of these band tail states is of obvious interest to theory of doping and transport. The study of amorphous solid surface is also an interesting area for theory. It is possible to have some major rearrangements near surfaces of amorphous solids (the amorphous analog of surface reconstruction), and the local bonding environment could be dramatically different from that of bulk. The study of the surfaces can also help people toward understanding the growth mechanism. First, electronic band tail states of amorphous silicon and amorphous diamond were studied based on the large (4096 atom) and realistic structural models. To solve the large tight-binding Hamiltonian matrices, we used two order N methods: the maximum entropy method for computing the total densities of states, and the modified Lanczos techniques for computing the individual energy eigenstates in the band gap regions. The DC conductivity was estimated with the Kubo formula. Next, the structural and electronic properties of the surfaces of tetrahedral amorphous carbon (ta-C) were also studied with a first-principles, local basis LDA technique. We reported two structural models made under different conditions, and examined the transition of the local bonding environment from the bulk to the surface. In the study of band tail states, we observe that Anderson (local-to-extended) transition within the band states proceeds by "cluster proliferation". We interpret the nature of band tail states in terms of a "resonant cluster model" through which one can qualitatively understand the evolution of the states from midgap toward the mobility edges. In the study of ta-C surfaces, we observe that nearly 50% surface atoms are threefold coordinated and

  4. 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

  5. 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

  6. Fabrication of ion doped WO3 photocatalysts through bulk and surface doping.

    PubMed

    Wang, Xiaoying; Pang, Laixue; Hu, Xiuying; Han, Nianfeng

    2015-09-01

    Na(+) doped WO3 nanowire photocatalysts were prepared by using post-treatment (surface doping) and in situ (bulk doping) doping methods. Photocatalytic degradation of Methyl Blue was tested under visible light irradiation, the results showed that 1wt.% Na(+) bulk-doped WO3 performed better, with higher photoactivity than surface-doped WO3. Photoelectrochemical characterization revealed the differences in the photocatalytic process for surface doping and bulk doping. Uniform bulk doping could generate more electron-hole pairs, while minimizing the chance of electron-hole recombination. Some bulk properties such as the bandgap, Fermi level and band position could also be adjusted by bulk doping, but not by surface doping. PMID:26354695

  7. 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

  8. 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

    2015-04-01

    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. PMID:25884131

  9. 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.

  10. Influence Of Sterilization On Bulk And Surface Morphologies Of Copolyether-Urethane-Ureas

    NASA Astrophysics Data System (ADS)

    Knutson, K.; Lyman, D. J.

    1981-10-01

    The influence of sterilization on the bulk and surface morphologies of a copolyether-urethane-urea was studied. The bulk morphology was altered due to annealing by autoclaving and ethylene oxide sterilization. Radiation sterilization did not significantly alter the morphology. Surface morphology was not significantly altered by any of the sterilization procedures. Changes in chemical structure as the result of sterilization were not observed.

  11. 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

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

    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.

  13. 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.

  14. 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

    2016-04-01

    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. PMID:26931487

  15. Surface-irregularity-enhanced subband resonance of semiconductors. I. General theory

    SciTech Connect

    Nee, T.W.

    1984-03-15

    The intersubband resonance absorption enhanced by the insulator-semiconductor interfacial irregularities in a metal-insulator-semiconductor system is investigated theoretically. The line shape of absorption spectrum is calculated microscopically. It is shown that the perpendicular excitation can be effectively generated by electric fields parallel to the surface due to the localized electromagnetic waves scattered by the surface irregularities. The general spectra for both isotropic and anisotropic surface scattering models are calculated and discussed.

  16. 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

  17. Depletion controlled surface deposition of uncharged colloidal spheres from stable bulk dispersions.

    PubMed

    Ouhajji, Samia; Nylander, Tommy; Piculell, Lennart; Tuinier, Remco; Linse, Per; Philipse, Albert P

    2016-05-01

    The competition between surface adsorption and bulk aggregation was investigated for silica colloids dispersed in cyclohexane in contact with hydrophobized silica substrates. Central to this study is that the colloids and surfaces have the same material and surface properties. Colloid-colloid and colloid-surface interactions were controlled by addition of polymers providing depletion interaction. Bulk instability was determined by turbidity and viscosity measurements and surface adsorption by ellipsometry measurements. At increasing polymer concentration, strong surface adsorption occurred at polymer concentrations below that required for bulk phase separation. Complementary Monte Carlo simulations with the use of a new weak depletion theory support quantitatively the experimental observation of the existence of an interval of interaction strength at which aggregation in bulk is negligible while surface adsorption is substantial. PMID:27025949

  18. 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

  19. 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.

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

    PubMed

    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

  1. 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.

  2. Surface-emitting semiconductor laser for intracavity spectroscopy and microscopy

    SciTech Connect

    Meissner, K.E.; Gourley, P.L.; Brennan, T.M.; Hammons, B.E.; McDonald, A.E.

    1995-03-01

    The authors demonstrate lasing action in a novel microcavity laser which can be utilized for intracavity spectroscopy as well as high contrast imaging of small ({approximately} 10{mu}m) structures. The system can be easily visualized as a Fabry-Perot cavity containing a gain media and an object for study. Since the primary constraint on the object is transparency at the lasing wavelength, investigation of lasing in objects such as microspheres, liquid droplets, and biological cells is possible. The resonator consists of an epitaxial NME grown mirror and gain region on a GaAs wafer. This is essentially an open-cavity vertical cavity surface emitting laser (VCSEL). The object to be studied is placed on the wafer and covered with a glass dielectric mirror which acts as the output coupler. When the semiconductor gain region is photo-pumped, the object within the cavity provides lateral optical confinement through its index difference with the surrounding media, increases the cavity Q, and thus encourages lasing action. The emitted laser light can be spectrally and spatially resolved. The narrow lasing lines can provide information about the lasing modes supported and the size of the object. The spatially resolved laser light provides high contrast microscopic images of the electromagnetic modes oscillating in the resonator. The authors present an investigation of stable lasing modes in polystyrene spheres. This device could prove useful in biomedical diagnostics. It covers the correct spatial dimensions as well as wavelength region. In fact, an integrated system of these devices may provide a high speed, compact method of performing cell diagnostics.

  3. Bulk and surface loss in superconducting transmon qubits

    NASA Astrophysics Data System (ADS)

    Dial, Oliver; McClure, Douglas T.; Poletto, Stefano; Keefe, G. A.; Rothwell, Mary Beth; Gambetta, Jay M.; Abraham, David W.; Chow, Jerry M.; Steffen, Matthias

    2016-04-01

    Decoherence of superconducting transmon qubits is purported to be consistent with surface loss from two-level systems on the substrate surface. Here, we present a study of surface loss in transmon devices, explicitly designed to have varying sensitivities to different surface loss contributors. Our experiments also encompass two particular different sapphire substrates, which reveal the onset of a yet unknown additional loss mechanism outside of surface loss for one of the substrates. Tests across different wafers and devices demonstrate substantial variation, and we emphasize the importance of testing large numbers of devices for disentangling different sources of decoherence.

  4. 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°.

  5. 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

    2016-04-01

    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. PMID

  6. 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.

  7. - 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

  8. Plasma Treatment of Bulk Niobium Surface for SRF Cavities

    SciTech Connect

    Marija Raskovic; H. Phillips; Anne-Marie Valente

    2006-08-16

    Pulsed electric discharges were used to demonstrate the validity of plasma surface treatment of superconducting radio-frequency cavities. The experiments were performed on disc-shaped Nb samples and compared with identical samples treated with buffer chemical polishing techniques. The results of several standard surface analytical techniques indicate that plasma-treated samples have comparable or superior properties regarding the surface roughness and composition.

  9. Interband interaction between bulk and surface resonance bands of a Pb-adsorbed Ge(001) surface

    NASA Astrophysics Data System (ADS)

    Sakata, Tomohiro; Takeda, Sakura N.; Kitagawa, Kosuke; Daimon, Hiroshi

    2016-08-01

    We investigated the valence band structure of a Pb-adsorbed Ge(001) surface by angle-resolved photoelectron spectroscopy. Three Ge bands, G1, G2, and G3, were observed in a Ge(001) 2 × 1 clean surface. In addition to these three bands, a fourth band (R band) is found on the surface with 2 ML of Pb. The R band continuously appeared even when the surface superstructure was changed. The position of the R band does not depend on Pb coverage. These results indicate that the R band derives from Ge subsurface states, known as surface resonance states. Furthermore, the effective mass of G3 is significantly reduced when the R band exists. We found that this reduction of G3 effective mass was explained by the interaction of the G3 and R bands. Consequently, the surface resonance band is considered to penetrate into the Ge subsurface region affecting the Ge bulk states. We determine the hybridization energy to be 0.068 eV by fitting the observed bands.

  10. 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.

  11. Charge-transfer excitons at organic semiconductor surfaces and interfaces.

    PubMed

    Zhu, X-Y; Yang, Q; Muntwiler, M

    2009-11-17

    When a material of low dielectric constant is excited electronically from the absorption of a photon, the Coulomb attraction between the excited electron and the hole gives rise to an atomic H-like quasi-particle called an exciton. The bound electron-hole pair also forms across a material interface, such as the donor/acceptor interface in an organic heterojunction solar cell; the result is a charge-transfer (CT) exciton. On the basis of typical dielectric constants of organic semiconductors and the sizes of conjugated molecules, one can estimate that the binding energy of a CT exciton across a donor/acceptor interface is 1 order of magnitude greater than k(B)T at room temperature (k(B) is the Boltzmann constant and T is the temperature). How can the electron-hole pair escape this Coulomb trap in a successful photovoltaic device? To answer this question, we use a crystalline pentacene thin film as a model system and the ubiquitous image band on the surface as the electron acceptor. We observe, in time-resolved two-photon photoemission, a series of CT excitons with binding energies < or = 0.5 eV below the image band minimum. These CT excitons are essential solutions to the atomic H-like Schrodinger equation with cylindrical symmetry. They are characterized by principal and angular momentum quantum numbers. The binding energy of the lowest lying CT exciton with 1s character is more than 1 order of magnitude higher than k(B)T at room temperature. The CT(1s) exciton is essentially the so-called exciplex and has a very low probability of dissociation. We conclude that hot CT exciton states must be involved in charge separation in organic heterojunction solar cells because (1) in comparison to CT(1s), hot CT excitons are more weakly bound by the Coulomb potential and more easily dissociated, (2) density-of-states of these hot excitons increase with energy in the Coulomb potential, and (3) electronic coupling from a donor exciton to a hot CT exciton across the D

  12. 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.

  13. 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

  14. 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.

  15. Direct visualization of Ni-Nb bulk metallic glasses surface: From initial nucleation to full crystallization

    NASA Astrophysics Data System (ADS)

    Oreshkin, A. I.; Mantsevich, V. N.; Savinov, S. V.; Oreshkin, S. I.; Panov, V. I.; Maslova, N. S.; Louzguine-Luzgin, D. V.

    2012-10-01

    This article is devoted to in situ investigation of the Ni-based bulk metallic glass structural evolution and crystallization behavior by scanning tunneling microscopy/spectroscopy. The possibility of different surface nanostructures formation is shown by annealing of an original bulk glassy alloy in ultra high vacuum. Atomic locations in these surface nanostructures are completely different from those formed according to Ni-Nb binary phase diagram in the bulk area of the sample. The validity of the results is also verified by transmission electron microscopy and nano-beam diffraction measurements.

  16. Diffusion of low molecular weight siloxane from bulk to surface

    SciTech Connect

    Homma, H.; Kuroyagi, T.; Mirley, C.L.; Ronzello, J.; Boggs, S.A.

    1996-12-31

    Silicone-based materials for outdoor insulators have the advantage that low molecular weight (LMW) components migrate through the material and coat the surface, thereby restoring hydrophobicity over a period of hours. By measuring the infrared (IR) absorption of siloxane migrating to the silicone surface through a thin carbon coating, the aspect of the LMW siloxane migration was observed as a real time plot and the time constant of the migration was calculated. According to the time dependence of IR-absorbance, the migration mostly saturated within only 12 hours after the carbon coating was applied. Also, the time constant showed a dependence on the concentration of added filler in the silicone samples.

  17. Quasiparticle interference of the Fermi arcs and surface-bulk connectivity of a Weyl semimetal.

    PubMed

    Inoue, Hiroyuki; Gyenis, András; Wang, Zhijun; Li, Jian; Oh, Seong Woo; Jiang, Shan; Ni, Ni; Bernevig, B Andrei; Yazdani, Ali

    2016-03-11

    Weyl semimetals host topologically protected surface states, with arced Fermi surface contours that are predicted to propagate through the bulk when their momentum matches that of the surface projections of the bulk's Weyl nodes. We used spectroscopic mapping with a scanning tunneling microscope to visualize quasiparticle scattering and interference at the surface of the Weyl semimetal TaAs. Our measurements reveal 10 different scattering wave vectors, which can be understood and precisely reproduced with a theory that takes into account the shape, spin texture, and momentum-dependent propagation of the Fermi arc surface states into the bulk. Our findings provide evidence that Weyl nodes act as sinks for electron transport on the surface of these materials. PMID:26965625

  18. 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.

  19. 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. PMID:26007290

  20. Data analysis and calibration for a bulk-refractive-index-compensated surface plasmon resonance affinity sensor

    NASA Astrophysics Data System (ADS)

    Chinowsky, Timothy M.; Yee, Sinclair S.

    2002-02-01

    Surface plasmon resonance (SPR) affinity sensing, the problem of bulk refractive index (RI) interference in SPR sensing, and a sensor developed to overcome this problem are briefly reviewed. The sensor uses a design based on Texas Instruments' Spreeta SPR sensor to simultaneously measure both bulk and surface RI. The bulk RI measurement is then used to compensate the surface measurement and remove the effects of bulk RI interference. To achieve accurate compensation, robust data analysis and calibration techniques are necessary. Simple linear data analysis techniques derived from measurements of the sensor response were found to provide a versatile, low noise method for extracting measurements of bulk and surface refractive index from the raw sensor data. Automatic calibration using RI gradients was used to correct the linear estimates, enabling the sensor to produce accurate data even when the sensor has a complicated nonlinear response which varies with time. The calibration procedure is described, and the factors influencing calibration accuracy are discussed. Data analysis and calibration principles are illustrated with an experiment in which sucrose and detergent solutions are used to produce changes in bulk and surface RI, respectively.

  1. 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.

  2. 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.

  3. Near-surface transport of semiconductor nanoclusters upon cyclic photoexcitation

    NASA Astrophysics Data System (ADS)

    Dekhtyar', M. L.; Rozenbaum, V. M.; Trakhtenberg, L. I.

    2016-07-01

    A mechanism for the directed motion of a semiconductor nanocluster along a polar substrate upon cyclic photoexcitation that alters the electron density distribution inside the particle is studied. A model that allows us to estimate the average velocity and optimize the system parameters (particle size, distance between the particle and the substrate, the average cycle duration, and charge distribution in the substrate) so as to ensure the maximum velocity is proposed. At the optimum parameters, the average velocity of directed motion can be quite high (~3 mm/s).

  4. Defect-induced Nonpolar-to-polar Transition at the Surface of Chalcopyrite Semiconductors

    SciTech Connect

    Jaffe, John E.; Zunger, Alex

    2001-12-15

    In contrast to zinc-blende semiconductors, where the nonpolar (110) surface has the lowest energy, our first-principles calculations on the chalcopyrite semiconductor CuInSe2 reveal that facets terminated by the (112)-cation and (-1-1-2)-Se polar surfaces are lower in energy than the unfaceted (110) plane, despite the resulting increased surface area. This explains the hitherto puzzling existence of polar microfacets on nominally nonpolar (110) chalcopyrite surfaces. The extraordinary stability of these polar facets originates from the effective neutralization of surface charge by low-energy ordered CuIn antisite or Cu vacancy surface defects, while the relaxed but defect-free (112) surface is metallic and much higher in energy. We explain the low carrier density of the observed faceted surface in terms of autocompensation between opposite-polarity facets.

  5. Bulk and Surface Interactions of Hydrophilic Polyacrylates with Water

    NASA Astrophysics Data System (ADS)

    Chen, Wan-Lin; Shull, Kenneth R.

    1998-03-01

    The adsorption of water by a series of hydrophilic acrylic coatings has been investigated in controlled humidity environments using a quartz crystal microbalance. The amounts of water adsorption are strongly dependent on the lengths of the polyethylene glycol (PEG) side chains of the acrylic polymers. We have also studied the properties of block copolymers which have a PEG-acrylate block coupled to hydrophobic poly(methyl methacrylate) (PMMA) or polystyrene (PS) blocks. The dynamic wetting behavior of water on these polymeric surfaces has been monitored by video microscopy during spreading of water drops on polymer thin films. The swelling and spreading rate data provide a useful characterization of the interactions of these materials with water.

  6. 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.

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

    DOE PAGESBeta

    Doubek, Gustavo; Sekol, Ryan C.; Li, Jinyang; Ryu, Won -Hee; Gittleson, Forrest S.; Nejati, Siamak; Moy, Eric; Reid, Candy; Carmo, Marcelo; Linardi, Marcelo; et al

    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.

  8. 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.

  9. Surface passivation of an implantable semiconductor multielectrode array

    NASA Astrophysics Data System (ADS)

    Ernst, Steven P.

    1986-12-01

    An effective passivation material was needed for the protection of a semiconductor multielectrode array during long-term bio-implantations. The following properties were required: a large electrical resistivity, a small relative dielectric constant, good adhesion to silicon dioxide and aluminum, impermeability to water and ionic contaminants, chemical stability in water, and a thermal coefficient of expansion compatible with those of aluminum and silicon dioxide. Three materials were examined: Du Pont PI-2555, Accuglass 407, and Diffusion Technology U-1A. The first is a polyimide, and the latter two are polysiloxanes. The latter were found to be permeable to ionic contaminants and eliminated. The polyimide possesses all of the desired properties. Several multielectrode arrays were passivated with polyimide using conventional photolithography and wet etching techniques. These arrays were tested in vitro in a saline solution for thirty days. The aluminum metallization on the multielectrode array was heavily corroded by the saline solution, resulting in changes in the integrated circuits's electrical parameters.

  10. Surface recombination in doped semiconductors: Effect of light excitation power and of surface passivation

    NASA Astrophysics Data System (ADS)

    Cadiz, F.; Paget, D.; Rowe, A. C. H.; Berkovits, V. L.; Ulin, V. P.; Arscott, S.; Peytavit, E.

    2013-09-01

    For n- and p-type semiconductors doped above the 1016 cm-3 range, simple analytical expressions for the surface recombination velocity S have been obtained as a function of excitation power P and surface state density NT. These predictions are in excellent agreement with measurements on p-type GaAs films, using a novel polarized microluminescence technique. The effect on S of surface passivation is a combination of the changes of three factors, each of which depends on NT: (i) a power-independent factor which is inversely proportional to NT and (ii) two factors which reveal the effect of photovoltage and the shift of the electron surface quasi Fermi level, respectively. In the whole range of accessible excitation powers, these two factors play a significant role so that S always depends on power. Three physical regimes are outlined. In the first regime, illustrated experimentally by the oxidized GaAs surface, S depends on P as a power law of exponent determined by NT. A decrease of S such as the one induced by sulfide passivation is caused by a marginal decrease of NT. In a second regime, as illustrated by GaInP-encapsulated GaAs, because of the reduced value of S, the photoelectron concentration in the subsurface depletion layer can no longer be neglected. Thus, S-1 depends logarithmically on P and very weakly on surface state density. In a third regime, expected at extremely small values of P, the photovoltage is comparable to the thermal energy, and S increases with P and decreases with increasing NT.

  11. Monte Carlo studies of liquid semiconductor surfaces - Si and Ge

    NASA Technical Reports Server (NTRS)

    Wang, Z. Q.; Stroud, D.

    1988-01-01

    The liquid-vapor interface of Si and Ge, and of Si doped with impurities is studied using the empirical Stillinger-Weber two- and three-body potentials. The surface tension of the pure elements is calculated by use of a direct evaluation of the free energy required to create the surface. For Si, both the surface tension and its temperature derivative are in good agreement with experiment. To within numerical accuracy, the free surfaces of both Si and Ge have a monotonically decreasing density, with a 10-90 percent surface width of about 2.2 A in both cases. When large and small model impurities are introduced into pure liquid Si, they are found in the simulations to migrate, respectively, towards the surface and away from the surface. This behavior is consistent with the interpretation that impurities with atoms larger than Si tend to lower the surface tension.

  12. 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

  13. Coexistence of Bulk and Surface Shubnikov-de Haas Oscillations in Bi2Se3

    NASA Astrophysics Data System (ADS)

    Zhang, Chi; Qu, Fanming; Du, Rui-Rui; Lu, Li

    2013-03-01

    Topological insulator possesses insulating bulk state and spin-momentum interlocked conducting topological surface state. Among many materials, bismuth selenide (Bi2Se3) is an important candidate, which hosts a single Dirac cone in the surface energy spectrum. In electron transport measurements, 3-dimensional Shubnikov-de Haas (SdH) oscillations of bulk state were observed. Under a very high magnetic field, our rotating sample experimental results exhibit the coexistence of bulk and surface SdH oscillations: Hall bar shape device based on Bi2Se3 nano-plate was fabricated and studied at a dilution temperature with a tilted magnetic field up to 45 T. Three types of carrier, one of 3-dimensional and two of 2-dimensional, were identified by analyzing the angular dependence of SdH oscillations, which confirmed the coexistence of bulk carrier and band bending induced two-dimensional electron gas in transport experiment. The co-contributions to quantum oscillations indicated the independence of these states, without smearing out by scattering with each other, which may pave off the way for studying topological surface states with residual bulk carriers in Bi2Se3. The data analysis and experimental results are included in the presentation. We would like to thank National High Magnetic Field Lab (NHMFL) in Florida, in which the high magnetic field measurements were conducted.

  14. 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. PMID:27551687

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

    NASA Astrophysics Data System (ADS)

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

    2015-08-01

    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.

  16. 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.

  17. Colloidal semiconductor quantum dots with tunable surface composition.

    PubMed

    Wei, Helen Hsiu-Ying; Evans, Christopher M; Swartz, Brett D; Neukirch, Amanda J; Young, Jeremy; Prezhdo, Oleg V; Krauss, Todd D

    2012-09-12

    Colloidal CdS quantum dots (QDs) were synthesized with tunable surface composition. Surface stoichiometry was controlled by applying reactive secondary phosphine sulfide precursors in a layer-by-layer approach. The surface composition was observed to greatly affect photoluminescence properties. Band edge emission was quenched in sulfur terminated CdS QDs and fully recovered when QDs were cadmium terminated. Calculations suggest that electronic states inside the band gap arising from surface sulfur atoms could trap charges, thus inhibiting radiative recombination and facilitating nonradiative relaxation. PMID:22924603

  18. Long Range Modification of a Metal Surface Electronic Structure by an Organic Semiconductor

    NASA Astrophysics Data System (ADS)

    Wang, Jingying; Dougherty, Daniel

    2015-03-01

    In an organic spintronic device the interaction between electrode surface and organic semiconductor layer plays an important role in spin injection at this interface. The antiferromagnetic material Cr(001) is known to have a spin-polarized state near Fermi level that could potentially hybridize with organic molecules. Here we report our STM/STS study of electronic structure at interface between an organic semiconductor, PTCDA, and Cr(001) surface. The study shows that the surface state at Fermi level of Cr(001) can be broadened by PTCDA molecules deposited on the surface due to hybridization of PTCDA molecular orbital and conduction sp band of Cr(001). This indirect modification is not only localized at molecular adsorption sites, but also extends several nm to bare surrounding Cr(001) surface and decays with distance away from PTCDA molecules.

  19. Approaching Bulk Carrier Dynamics in Organo-Halide Perovskite Nanocrystalline Films by Surface Passivation.

    PubMed

    Stewart, Robert J; Grieco, Christopher; Larsen, Alec V; Maier, Joshua J; Asbury, John B

    2016-04-01

    The electronic properties of organo-halide perovskite absorbers described in the literature have been closely associated with their morphologies and processing conditions. However, the underlying origins of this dependence remain unclear. A combination of inorganic synthesis, surface chemistry, and time-resolved photoluminescence spectroscopy was used to show that charge recombination centers in organo-halide perovskites are almost exclusively localized on the surfaces of the crystals rather than in the bulk. Passivation of these surface defects causes average charge carrier lifetimes in nanocrystalline thin films to approach the bulk limit reported for single-crystal organo-halide perovskites. These findings indicate that the charge carrier lifetimes of perovskites are correlated with their thin-film processing conditions and morphologies through the influence these have on the surface chemistry of the nanocrystals. Therefore, surface passivation may provide a means to decouple the electronic properties of organo-halide perovskites from their thin-film processing conditions and corresponding morphologies. PMID:26966792

  20. Halogens on Semiconductor Surfaces: Adsorption, Oxidation, and Etching.

    NASA Astrophysics Data System (ADS)

    Stepniak, Frank

    This dissertation presents studies of Si, GaAs, and InP surfaces following exposure to the halogens Cl _2 and Br_2. Synchrotron radiation photoemission is used to investigate the oxidation states of Si near the Si/SiO_2 interface as a function of Cl_2 exposure. Oxidation of highly ordered surfaces shows no dependence of the oxidation state concentration on Cl_2 inclusion in the gas mixture. For less-than-ideal Si surfaces, oxidation with O_2 -only results in a broader transition region, and presumably, inferior electrical properties. The addition of Cl_2 in the oxidizing gas reduced the concentration of intermediate oxides by a factor of two for these disordered starting Si surfaces. A new feature is also measured from Cl-Si bonds that we associate with passivation of Si defects at the oxide interface. The adsorption and reactivity of Br_2 and Cl_2 on GaAs(110) and InP(110) was studied in the temperature range of 25 K < T < 625 K with photoemission spectroscopy and scanning tunneling microscopy. Initial halogen adsorption was dissociative at all temperatures and we find that a simple model where the halogen atoms bond to a single Ga or As surface site can not account for the complex surface chemistry and morphology. Thermally-activated etching was observed after warming a surface with chemisorbed Br or Cl. Etching resulted from the formation and eventual temperature dependent desorption of the trihalides of Ga and As. For halogen exposures where T < 650 K, monohalide-like surface bonding persist during the etching process and the etched surface is rough. For T > 700 K, the surface is essentially free of halogen and etching occurs in a nearly layer-by-layer fashion.

  1. Reconstructing past sea surface temperatures: Correcting for diagenesis of bulk marine carbonate

    SciTech Connect

    Schrag, D.P.; DePaolo, D.J. |; Richter, F.M.

    1995-06-01

    A numerical model which describes oxygen isotope exchange during burial and recrystallization of deep-sea carbonate is used to obtain information on how sea surface temperatures have varied in the past by correcting measured {delta}{sup 18}O values of bulk carbonate for diagenetic overprinting. Comparison of bulk carbonate and planktonic foraminiferal {delta}{sup 18}O records from ODP site 677A indicates that the oxygen isotopic composition of bulk carbonate does reflect changes in sea surface temperature and {delta}{sup 18}O. At ODP Site 690, we calculate that diagenetic effects are small, and that both bulk carbonate and planktonic foraminiferal {delta}{sup 18}O records accurately reflect Paleogene warming of high latitude surface oceans, biased from diagenesis by no more than 1{degrees}C. The same is likely to be true for other high latitude sites where sedimentation rates are low. At DSDP sites 516 and 525, the effects of diagenesis are more significant. Measured {delta}{sup 18}O values of Eocene bulk carbonates are more than 2% lower at deeply buried site 516 than at site 525, consistent with the model prediction that the effects of diagenesis should be proportional to sedimentation rate. Model-corrections reconcile the differences in the data between the two sites; the resulting paleotemperature reconstruction indicates a 4{degrees}C cooling of mid-latitude surface oceans since the Eocene. We show that the data are consistent with constant equatorial sea surface temperatures through most of the Cenozoic, with the possible exception of the early Eocene, when slightly higher temperatures are indicated. We suggest that the lower equatorial sea surface temperatures for the Eocene and Oligocene reported in other oxygen isotope studies are artifacts of diagenetic recrystallization, and that it is impossible to reconstruct accurately equatorial sea surface temperatures without explicitly accounting for diagenetic overprinting.

  2. Ultra-soft x-ray absorption spectroscopy: A bulk and surface probe of materials

    SciTech Connect

    Fischer, D.A. ); Mitchell, G.E.; Dekoven, B.M. ); Yeh, A.T.; Gland, J.L. ); Moodenbaugh, A.R. )

    1993-01-01

    Direct comparisons between surface and bulk of diverse materials can be made by simultaneous electron yield (5 nm depth sensitivity) and fluorescence yield (200 nm) ultra soft x-ray absorption spectroscopy measurements utilizing a rapid sample interchange apparatus. For example the orientations of functional groups have been characterized at and near the surface of a series of model polymeric materials highlighting the chemical and molecular sensitivity of ultra soft x-ray absorption spectroscopy. In addition we discuss a bulk sensitive use of fluorescence yield to non destructively study a buried metal polymer interface. A second bulk sensitive example is the use of fluorescence yield oxygen K near edge x-ray spectroscopy as a method to determine the hole state density of high Tc materials.

  3. Ultra-soft x-ray absorption spectroscopy: A bulk and surface probe of materials

    SciTech Connect

    Fischer, D.A.; Mitchell, G.E.; Dekoven, B.M.; Yeh, A.T.; Gland, J.L.; Moodenbaugh, A.R.

    1993-06-01

    Direct comparisons between surface and bulk of diverse materials can be made by simultaneous electron yield (5 nm depth sensitivity) and fluorescence yield (200 nm) ultra soft x-ray absorption spectroscopy measurements utilizing a rapid sample interchange apparatus. For example the orientations of functional groups have been characterized at and near the surface of a series of model polymeric materials highlighting the chemical and molecular sensitivity of ultra soft x-ray absorption spectroscopy. In addition we discuss a bulk sensitive use of fluorescence yield to non destructively study a buried metal polymer interface. A second bulk sensitive example is the use of fluorescence yield oxygen K near edge x-ray spectroscopy as a method to determine the hole state density of high Tc materials.

  4. Surface energies of semiconductors by the energy density method

    NASA Astrophysics Data System (ADS)

    Yu, Min; Martin, Richard M.

    2008-03-01

    Energy Density formalism within the first-principles pseudopotential density functional theory has been proposed by Chetty and Martin^1 in 1990s. Although the energy density function is non-unique, nevertheless integrals over surface regions provide unique results for surface energies, and calculations have been carried out by several groups^2,3 to study the polar surfaces and interfaces of solid state systems such as GaAs (111) and (111) polar surfaces. In our work, we apply this method to wurtzite CdSe to determine the energy of of various polar surfaces such as (0001),(0001), and non-polar surfaces such as (1010),(1120), from which we can estimate the equilibrium crystal shape for large nanoclusters. 1. N. Chetty and Richard M. Martin, Phys. Rev. B 45, 6074 (1992). 2. K. Rapcewicz, B. Chen, B. Yakobson, and J. Bernholc, Phys. Rev. B 57, 7281 (1998). 3. N. Moll, A. Kley, E. Pehlke, and M. Scheffler, Phys. Rev. B 54, 8844 (1996).

  5. 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.

  6. 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.

  7. A binderless, bulk-modified, renewable surface amperometric sensor for NADH and ethanol.

    PubMed

    Ramesh, P; Sampath, S

    2000-07-15

    Graphite particles are exfoliated and subsequently functionalized with toluidine blue. The resulting covalently modified graphite particles are restacked without any binder to form a surface-renewable, bulk-modified electrode. Electrocatalytic oxidation of NADH and its application in the amperometric biosensing of ethanol using alcohol dehydrogenase enzyme have been demonstrated with this material. PMID:10939414

  8. 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

  9. 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.

  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 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.

  12. 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.

  13. Comparing ultrafast surface and bulk heating using time-resolved electron diffraction

    SciTech Connect

    Streubühr, C.; Kalus, A.; Zhou, P. Kammler, M.; Linde, D. von der; Ligges, M.; Hanisch-Blicharski, A.; Bovensiepen, U.; Horn-von Hoegen, M.

    2014-04-21

    From measurements of the transient Debye-Waller effect in Bismuth, we determine the buildup time of the random atomic motion resulting from the electronic relaxation after short pulse laser excitation. The surface sensitive reflection high energy electron diffraction and transmission electron diffraction yield a time constant of about 12 ps and 3 ps, respectively. The different energy transfer rates indicate relatively weak coupling between bulk and surface vibrational modes.

  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. Bulk vortices and half-vortex surface modes in parity-time-symmetric media

    NASA Astrophysics Data System (ADS)

    Li, Huagang; Zhu, Xing; Shi, Zhiwei; Malomed, Boris A.; Lai, Tianshu; Lee, Chaohong

    2014-05-01

    We demonstrate that in-bulk vortex localized modes and their surface half-vortex ("horseshoe") counterparts self-trap in two-dimensional nonlinear optical systems with PT-symmetric photonic lattices (PLs). The respective stability regions are identified in the underlying parameter space. The in-bulk states are related to truncated nonlinear Bloch waves in gaps of the PL-induced spectrum. The basic vortex and horseshoe modes are built, severally, of four and three beams with appropriate phase shifts between them. Their stable complex counterparts, built of up to 12 beams, are also reported.

  16. 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.

  17. 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.

  18. INSTRUMENTS AND METHODS OF INVESTIGATION: Scanning tunneling microscopy of fullerenes on metal and semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Bakhtizin, Raouf Z.; Hashizume, T.; Wang, W.-D.; Sakurai, Toshio

    1997-03-01

    The current state of the ultra-high vacuum scanning tunneling microscopy (STM) of fullerene molecules is reviewed with the use of the authors' work. We focus our work on absorption and reaction of the C60 and C70 fullerenes, separately or in mixture, with semiconductor [Si(111)-7×7 and Si(100)-2×1] and metal [Cu(111)-1×1 and Ag(111)-1×1] surfaces. By using the STM, the adsorption geometry and the corresponding reconstruction are directly observed on these surfaces, and the intramolecular structures are revealed in high resolution STM images which are analyzed theoretically within the local charge distribution model. Results on the ordered growth of fullerene films on metal and semiconductor surfaces are presented and discussed.

  19. 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.

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

    PubMed

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

    2015-12-01

    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 analogue of the vapor-liquid-solid (VLS) growth of semiconductor nanowires: the 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 thus sustaining the dissolution process. This VLS etching process provides a new tool for directed assembly of structures with sublithographic 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

  1. 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.

  2. 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.

  3. Selectable Surface and Bulk Fluorescence Imaging with Plasmon-Coupled Waveguides

    PubMed Central

    Wang, Ruxue; Zhang, Douguo; Zhu, Liangfu; Wen, Xiaolei; Chen, Junxue; Kuang, Cuifang; Liu, Xu; Wang, Pei; Ming, Hai; Badugu, Ramachandram; Lakowicz, Joseph R.

    2015-01-01

    In this letter, we propose a new method for selective imaging of surface bound probes or simultaneous imaging of surface bound plus fluorescence from dye molecules in bulk water solution. The principle of this method relies on use of two optical modes with different mode distributions, filed decay lengths and polarization states that are sustaining in a plasmon waveguide. The two modes with different decay lengths couple with dye molecules of different regions, at different distances from the PCW-water interface. The emission from two different regions occur as two coupled emission rings with different polarizations and emitting angles in the back focal plane (BFP) images. By using an electric-driven liquid crystal in BFP imaging, we selectively imaged surface or surface plus bulk fluorescence. Accordingly two coupled emissions can be switched ON or OFF independently, that are for either surface or bulk fluorescence imaging. Our work provides a new method for fluorescence imaging or sensing just by using a planar multilayer film, which may be a useful for fluorescence-based techniques in chemistry, materials science, molecular biology, and medicine. PMID:26523158

  4. Surface recombination velocity at n-CdSe semiconductor-electrolyte interface

    NASA Astrophysics Data System (ADS)

    Bessler-Podorowski, Pnina

    1989-06-01

    The influence of the concentration of divers electrolyte solutions on the surface recombination velocity of n-CdSe immersed in them was investigated. The semiconductor was irradiated with a 25-psec, 532-nanometer laser pulse and photoluminescence decays from the crystal surface were measured. Surface recombination velocities were evaluated by fitting the experimental decay curves to simulated decay curves. A crystal which had been chemically etched showed a significantly longer photoluminescence decay time than a mechanically polished one, when immersed in distilled water, and a surface recombination velocity of less than 1,000 cm/sec. The surface recombination velocity increased when the crystal was immersed in aqueous solutions of CuSO4, NaI, NaI/I2, AgNO3 and HgCl2, and methanol solutions of bromide. The velocity increased with solution concentration, to a maximum of 100,000-1,000,000 cm/sec. Immersion in aqueous solutions of LiCl and Cr(NO3)3 induced recombination velocity increases, but only at high concentrations; these changes were attributed to impurities. In aqueous ZnSO4 solutions, there was no velocity change until the concentration reached 0.01M, when the velocity decreased. The surface recombination velocity increases are caused by surface states which result from intrinsic states of the crystal, unsaturated bonds on the surface, defects, or adsorption of ions from the solution. Only molecules having a negative free energy of absorption can be adsorbed, and the solubility product of the adsorbed cation with Se, the semiconductor anion, must be lower than the solubility product of the semiconductor, CdSe. When an anion is adsorbed, the solubility product of the adsorbed anion with Cd(2+), the semiconductor cation, must be lower than the solubility product of CdSe. Thus, cations which form selenide salts or anions which form cadmium salts in which the solubility products are higher than the solubility product of CdSe would not be adsorbed on the Cd

  5. 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.

  6. Control of the crystalline structure of inkjet-printed semiconductor layers using overlap condition and surface wettability

    NASA Astrophysics Data System (ADS)

    Kang, Byung Ju; Oh, Je Hoon

    2015-05-01

    We demonstrate the effects of overlap condition and surface wettability of dielectric layers on the drying process and crystalline structure of inkjet-printed semiconductor layers. 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS pentacene) was utilized to inkjet-print the semiconductor layer. Using various overlap conditions, semiconductor layers were inkjet-printed on dielectric layers with different surface wettabilities. It is observed that crystal growth and the resulting crystalline structures in inkjet-printed semiconductor layers are primarily determined by evaporation behavior, particularly the contact line movement of the drying semiconductor layers, which can be controlled via the overlap condition. With inappropriate overlap conditions, randomly oriented TIPS pentacene crystalline structures are generated in the semiconductor layer through irregular contact line recession. One-dimensionally oriented TIPS pentacene crystal structures can be obtained using the optimized overlap condition of 50% as a result of the uniform contact line movement. Relatively hydrophobic dielectric layers help to generate good crystallinity in the semiconductor layer. All-inkjet-printed organic thin film transistors (OTFTs) with well-oriented TIPS pentacene crystalline structures in the semiconductor layer show a high field effect mobility of ~0.1 cm2 V-1s-1, suggesting that, when printing inkjet semiconductor layers, the overlap condition and surface wettability of the dielectric layer are important factors for generating a well-oriented crystalline structure and thereby fabricating high-performance all-inkjet-printed OTFTs.

  7. Tuning the reactivity of semiconductor surfaces by functionalization with amines of different basicity

    PubMed Central

    Bent, Stacey F.; Kachian, Jessica S.; Rodríguez-Reyes, Juan Carlos F.; Teplyakov, Andrew V.

    2011-01-01

    Surface functionalization of semiconductors has been the backbone of the newest developments in microelectronics, energy conversion, sensing device design, and many other fields of science and technology. Over a decade ago, the notion of viewing the surface itself as a chemical reagent in surface reactions was introduced, and adding a variety of new functionalities to the semiconductor surface has become a target of research for many groups. The electronic effects on the substrate have been considered as an important consequence of chemical modification. In this work, we shift the focus to the electronic properties of the functional groups attached to the surface and their role on subsequent reactivity. We investigate surface functionalization of clean Si(100)-2 × 1 and Ge(100)-2 × 1 surfaces with amines as a way to modify their reactivity and to fine tune this reactivity by considering the basicity of the attached functionality. The reactivity of silicon and germanium surfaces modified with ethylamine (CH3CH2NH2) and aniline (C6H5NH2) is predicted using density functional theory calculations of proton attachment to the nitrogen of the adsorbed amine to differ with respect to a nucleophilic attack of the surface species. These predictions are then tested using a model metalorganic reagent, tetrakis(dimethylamido)titanium (((CH3)2N)4Ti, TDMAT), which undergoes a transamination reaction with sufficiently nucleophilic amines, and the reactivity tests confirm trends consistent with predicted basicities. The identity of the underlying semiconductor surface has a profound effect on the outcome of this reaction, and results comparing silicon and germanium are discussed. PMID:21068370

  8. Bulk and interface trapping in the gate dielectric of GaN based metal-oxide-semiconductor high-electron-mobility transistors

    NASA Astrophysics Data System (ADS)

    Ťapajna, M.; Jurkovič, M.; Válik, L.; Haščík, Š.; Gregušová, D.; Brunner, F.; Cho, E.-M.; Kuzmík, J.

    2013-06-01

    The trapping phenomena in GaN metal-oxide-semiconductor high-electron mobility transistor structures with 10 and 20-nm thick Al2O3 gate dielectric grown by metal-organic chemical vapor deposition were deeply investigated using comprehensive capacitance-voltage measurements. By controlling the interface traps population, substantial electron trapping in the dielectric bulk was identified. Separation between the trapping process and the interface traps emission allowed us to determine distribution of interface trap density in a wide energy range. Temperature dependence of the trapping process indicates thermionic field emission of electrons from the gate into traps with a sheet density of ~1013 cm-2, located a few nm below the gate.

  9. Bulk and interface trapping in the gate dielectric of GaN based metal-oxide-semiconductor high-electron-mobility transistors

    NASA Astrophysics Data System (ADS)

    Ťapajna, M.; Jurkovič, M.; Válik, L.; Haščík, Š.; Gregušová, D.; Brunner, F.; Cho, E.-M.; Kuzmík, J.

    2013-06-01

    The trapping phenomena in GaN metal-oxide-semiconductor high-electron mobility transistor structures with 10 and 20-nm thick Al2O3 gate dielectric grown by metal-organic chemical vapor deposition were deeply investigated using comprehensive capacitance-voltage measurements. By controlling the interface traps population, substantial electron trapping in the dielectric bulk was identified. Separation between the trapping process and the interface traps emission allowed us to determine distribution of interface trap density in a wide energy range. Temperature dependence of the trapping process indicates thermionic field emission of electrons from the gate into traps with a sheet density of ˜1013 cm-2, located a few nm below the gate.

  10. (La1-xBax)(Zn1-xMnx)AsO: A two-dimensional 1111-type diluted magnetic semiconductor in bulk form

    NASA Astrophysics Data System (ADS)

    Ding, Cui; Man, Huiyuan; Qin, Chuan; Lu, Jicai; Sun, Yunlei; Wang, Quan; Yu, Biqiong; Feng, Chunmu; Goko, T.; Arguello, C. J.; Liu, L.; Frandsen, B. A.; Uemura, Y. J.; Wang, Hangdong; Luetkens, H.; Morenzoni, E.; Han, W.; Jin, C. Q.; Munsie, T.; Williams, T. J.; D'Ortenzio, R. M.; Medina, T.; Luke, G. M.; Imai, T.; Ning, F. L.

    2013-07-01

    We report the synthesis and characterization of a bulk diluted magnetic semiconductor (La1-xBax)(Zn1-xMnx)AsO (0 ⩽ x ⩽ 0.2) with a layered crystal structure identical to that of the 1111-type FeAs superconductors. No ferromagnetic order occurs with (Zn,Mn) substitution in the parent compound LaZnAsO without charge doping. Together with carrier doping via (La,Ba) substitution, a small amount of Mn substituting for Zn results in ferromagnetic order with TC up to ˜40 K, although the system remains semiconducting. Muon spin relaxation measurements confirm the development of ferromagnetic order in the entire volume, with the relationship between the internal field and TC consistent with the trend found in (Ga,Mn)As and the 111-type Li(Zn,Mn)As and the 122-type (Ba,K)(Zn,Mn)2As2 systems.

  11. K and Mn co-doped BaCd2As2: A hexagonal structured bulk diluted magnetic semiconductor with large magnetoresistance

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

    A bulk diluted magnetic semiconductor was found in the K and Mn co-doped BaCd2As2 system. Different from recently reported tetragonal ThCr2Si2-structured II-II-V based (Ba,K)(Zn,Mn)2As2, the Ba1-yKyCd2-xMnxAs2 system has a hexagonal CaAl2Si2-type structure with the Cd2As2 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 Ba1-yKyCd2-xMnxAs2 can be served as a promising candidate for spin manipulations.

  12. Coupled instabilities of surface crease and bulk bending during fast free swelling of hydrogels.

    PubMed

    Takahashi, Riku; Ikura, Yumihiko; King, Daniel R; Nonoyama, Takayuki; Nakajima, Tasuku; Kurokawa, Takayuki; Kuroda, Hirotoshi; Tonegawa, Yoshihiro; Gong, Jian Ping

    2016-06-21

    Most studies on hydrogel swelling instability have been focused on a constrained boundary condition. In this paper, we studied the mechanical instability of a piece of disc-shaped hydrogel during free swelling. The fast swelling of the gel induces two swelling mismatches; a surface-inner layer mismatch and an annulus-disc mismatch, which lead to the formation of a surface crease pattern and a saddle-like bulk bending, respectively. For the first time, a stripe-like surface crease that is at a right angle on the two surfaces of the gel was observed. This stripe pattern is related to the mechanical coupling of surface instability and bulk bending, which is justified by investigating the swelling-induced surface pattern on thin hydrogel sheets fixed onto a saddle-shaped substrate prior to swelling. A theoretical mechanism based on an energy model was developed to show an anisotropic stripe-like surface crease pattern on a saddle-shaped surface. These results might be helpful to develop novel strategies for controlling crease patterns on soft and wet materials by changing their three-dimensional shape. PMID:27108760

  13. Femtosecond laser surface ablation of transparent solids: understanding the bulk filamentation damage

    NASA Astrophysics Data System (ADS)

    Kudryashov, Sergey I.; Joglekar, A.; Mourou, G.; Ionin, A. A.; Zvorykin, V. D.; Hunt, A. J.

    2007-06-01

    Direct SEM examination reveals a complex nanoscale structure of deep narrow central channels within shallow wide external craters produced by single-shot high-intensity femtosecond laser radiation on Corning 0211 glass and sapphire surfaces. These internal narrow channels are not expected from ordinary surface melt spallation and expulsion processes characteristic of the external surface nanocraters, but exhibit nearly the same appearance threshold. Surprisingly, the nanochannel radiuses rapidly saturate versus incident laser intensity indicating bulk rather than surface character of laser energy deposition, in contrast to the external craters extending versus laser intensity in a regular manner. These facts may be explained by channeling of electromagnetic radiation by near-surface ablative filamentary propagation of intense femtosecond laser pulses in the highly electronically excited dielectrics, by spherical aberrations in the surface layer, or deep drilling of the samples by short-wavelength Bremsstrahlung radiation of relatively hot surface electron-hole or electron-ion plasma. The double structure of ablated surface nano-features is consistent with similar structures observed for bulk damage features fabricated by femtosecond laser pulses at supercritical laser powers, but much lower laser intensities.

  14. Molecular weight dependence of surface flow near the bulk glass transition temperature

    NASA Astrophysics Data System (ADS)

    Chai, Yu; Salez, Thomas; Benzaquen, Michael; Raphael, Elie; Forrest, James A.

    2014-03-01

    We present the study on molecular weight dependent sub-Tg surface dynamics of polymer thin films by using the Nano-step experiment [McGraw et al. Soft Matter 7, 7832 (2011)]. By varying the molecular weight, we are able to probe the surface dynamics of the free surface below Tg with the polymer size comparable to the surface depth. In particular, we define and use a correlation function to compare measured and calculated profiles to analyze the transition from the bulk flow to flow restricted to the surface region. Surprisingly, even for the polymers with Mw = 22,000 surface flow is still observed below the bulk Tg value. A numerical simulation of random walk is used to find the fraction of polymer of which all of the polymer segments are located in the free surface region. The simulation results indicate that there are still a significant fraction of polymer molecules where all segments are in the near free surface region. These molecules can undergo flow consistent with the experimental results.

  15. Probing semiconductor confined excitons decay into surface plasmon polaritons

    NASA Astrophysics Data System (ADS)

    Sobreira, F. W. A.; de Oliveira, E. R. Cardozo; Teodoro, M. D.; Marques, G. E.; Marega, E.

    2016-04-01

    The study of the interaction of surface plasmon polaritons (SPPs) with quantum emitters has become very important in the last few years. The ability to design optical devices as well as investigate the physics of strongly interacting systems is some of its useful applications. In this paper, we will show some results on the decay of excitons confined in a InAs/GaAs quantum dot into SPP modes confined in a metallic thin film made of Au, an important step toward the investigation of the basic features of the SPP-exciton interaction. The lifetime of the ground state level was investigated and shown to decrease with the presence of the metallic film.

  16. Self-assembled molecular corrals on a semiconductor surface

    NASA Astrophysics Data System (ADS)

    Dobrin, S.; Harikumar, K. R.; Jones, R. V.; Li, N.; McNab, I. R.; Polanyi, J. C.; Sloan, P. A.; Waqar, Z.; Yang, J.(S. Y.); Ayissi, S.; Hofer, W. A.

    2006-03-01

    Nano-corrals for capturing surface electrons are of interest in molecular electronics. Here we show that haloalkane molecules, e.g., 1-chlorododecane, physisorbed on Si(1 1 1)-(7 × 7) self-assemble to form dimers stable to 100 °C which corral silicon adatoms. Corral size is shown to be governed by the haloalkane chain-length. Spectroscopic and theoretical evidence shows that the haloalkane dimer induces electron transfer to the corralled adatom, shifting its energy levels by ˜1 eV. Isolation of a labile pre-cursor points to a model for corral formation which combines mobility with immobility; monomers diffusing in a mobile vertical state meet and convert to the immobile horizontal dimers constituting the corrals.

  17. Reduction of solar cell efficiency by bulk defects across the back-surface-field junction

    NASA Technical Reports Server (NTRS)

    Sah, C. T.; Yamakawa, K. A.; Lutwack, R.

    1982-01-01

    The degradation of solar cell performance due to bulk defects distributed across the back-surface field junction is analyzed in terms of a three-region developed-perimeter model. Families of curves are computed and their physical significance is discussed in detail with reference to three parameters used to characterize the defects: defect area, defect density, and defect surface recombination velocity. A reduction in the open-circuit voltage due to the presence of a defect is expressed as a function of the defect area, density, cell thickness, and defect surface recombination velocity. Numerical examples are presented to illustrate the importance of the particular defect parameters.

  18. 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.

  19. Nanoparticle doping in nematic liquid crystals: distinction between surface and bulk effects by numerical simulations.

    PubMed

    Urbanski, Martin; Mirzaei, Javad; Hegmann, Torsten; Kitzerow, Heinz-S

    2014-05-19

    Doping nematic liquid crystals with small amounts of nanoparticles can significantly alter the electro-optic response of the nematic host. Some of these effects result from nanoparticles influencing the liquid crystal/substrate interface, while other effects are caused by nanoparticles in the bulk. So far, little attention has been paid to the influence of surface interactions on the determination of bulk properties. In the present study, these effects are investigated experimentally and confirmed by numerical simulations. The splay-type Fréedericksz-transition of the nematic liquid crystal 5CB doped with CdSe quantum dots is investigated, as these dispersions are known from earlier studies to affect the initial alignment layers. In comparison, dispersions of chemically and thermally stable silanized gold nanoparticles in the apolar nematic host FELIX-2900-03 are analyzed, which are expected to be bulk-active only. A data fitting routine is presented which allows a distinction between bulk and surface effects of nanoparticle doping. For the quantum dots, an increase of pretilt angle proportional to the doping concentration is found, as well as a slight decrease of the anchoring energy of molecules at the confining substrates. The silanized gold particles show no influence on the boundary conditions up to doping concentrations of 2.5 % (w). For higher concentrations an increase of pretilt angle is reported. PMID:24482304

  20. 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.

  1. Combining Bulk/Surface Engineering of Hematite To Synergistically Improve Its Photoelectrochemical Water Splitting Performance.

    PubMed

    Yuan, Yufei; Gu, Jiuwang; Ye, Kai-Hang; Chai, Zhisheng; Yu, Xiang; Chen, Xiaobo; Zhao, Chuanxi; Zhang, Yuanming; Mai, Wenjie

    2016-06-29

    One of the most promising candidates for photoelectrochemical (PEC) water splitting photoanode is hematite (α-Fe2O3) due to its narrow bandgap and chemical stability. However, the poor bulk/surface kinetics of hematite limits its PEC performance. Herein, a facile two-step approach is reported to synergistically improve the PEC performance of Fe2O3. First, through bulk engineering of Ti doping, the photocurrent density of Ti-Fe2O3 photoanode (1.68 mA cm(-2) at 1.23 VRHE) shows a 3-fold increase compared with that of pure Fe2O3 photoanode (0.50 mA cm(-2) at 1.23 VRHE). Second, the photocurrent density of Ti-Fe2O3 photoanode could be further enhanced to 2.31 mA cm(-2) by surface engineering of FeOOH. The enhanced PEC water splitting performance is proposed to be the synergistic effect of bulk and surface engineering, which can be mainly attributed to the great increase of charge separation efficiency and surface transfer efficiency. PMID:27275649

  2. Bulk and surface properties of spinel Co 3O 4 by density functional calculations

    NASA Astrophysics Data System (ADS)

    Xu, Xiang-Lan; Chen, Zhan-Hong; Li, Yi; Chen, Wen-Kai; Li, Jun-Qian

    2009-02-01

    DFT calculations are employed to bulk and surface properties of spinel oxide Co 3O 4. The bulk magnetic structure is calculated to be antiferromagnetic, with a Co 2+ moment of 2.631 μB in the antiferromagnetic state. There are three predicted electron transitions O(2p) → Co 2+(t 2g) of 2.2 eV, O(2p) → Co 3+(e g) of 2.9 eV and Co 3+(t 2g) → Co 2+(t 2g) of 3.3 eV, and the former two transitions are close to the corresponding experimental values 2.8 and 2.4 eV. The naturally occurring Co 3O 4 (1 1 0) and (1 1 1) surfaces were considered for surface calculations. For ideal Co 3O 4 (1 1 0) surfaces, the surface relaxations are not significant, while for ideal Co 3O 4 (1 1 1) surfaces the relaxation of Co 2+ cations in the tetrahedral sites is drastic, which agrees with the experiment observation. The stability over different oxygen environments for possible ideal and defect surface terminations were explored.

  3. 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.

  4. 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

  5. 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).

  6. 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).

  7. Glass Formation, Chemical Properties and Surface Analysis of Cu-Based Bulk Metallic Glasses

    PubMed Central

    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. PMID:21731441

  8. Emission properties of surface-emitting distributed-feedback and distributed-Bragg-reflector semiconductor lasers

    SciTech Connect

    Dziura, T. G.; Wang, S. C.

    1989-05-15

    We use a single-mode transfer equation model to study the performance of vertical-cavity surface-emitting distributed-feedback (DFB) and distributed-Bragg-reflector (DBR) semiconductor lasers above threshold. We find that DBR lasers exhibit less envelope spatial hole burning than both single and double phase-shifted DFB lasers and therefore may achieve more stable single-longitudinal-mode operation.

  9. Combining the Best of Bulk and Surface Micromaching Using Si(111) Substrates

    SciTech Connect

    Fleming, J.G.

    1998-11-30

    This process combines the best features of bulk ad surface micromachining. It enables the production of stress free, thick, virtually arbitrarily shaped structures with well defiti thick or thin sacrificial layers, high sacrificial layer selectivity and large undercuts using IC compatible, processes. The basis of this approach is the use of dy available {111} oriented substrates. anisotropic Si trench etching, S iN masking and KOH etching.

  10. Guided Evolution of Bulk Metallic Glass Nanostructures: A Platform for Designing 3D Electrocatalytic Surfaces.

    PubMed

    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 O; Schroers, Jan; Mukherjee, Sundeep; Taylor, André D

    2016-03-01

    Electrochemical devices such as fuel cells, electrolyzers, lithium-air batteries, and pseudocapacitors are expected to play a major role in energy conversion/storage in the near future. Here, it is demonstrated how desirable bulk metallic glass compositions can be obtained using a combinatorial approach and it is shown that these alloys can serve as a platform technology for a wide variety of electrochemical applications through several surface modification techniques. PMID:26689722

  11. A cut finite element method for coupled bulk-surface problems on time-dependent domains

    NASA Astrophysics Data System (ADS)

    Hansbo, Peter; Larson, Mats G.; Zahedi, Sara

    2016-08-01

    In this contribution we present a new computational method for coupled bulk-surface problems on time-dependent domains. The method is based on a space-time formulation using discontinuous piecewise linear elements in time and continuous piecewise linear elements in space on a fixed background mesh. The domain is represented using a piecewise linear level set function on the background mesh and a cut finite element method is used to discretize the bulk and surface problems. In the cut finite element method the bilinear forms associated with the weak formulation of the problem are directly evaluated on the bulk domain and the surface defined by the level set, essentially using the restrictions of the piecewise linear functions to the computational domain. In addition a stabilization term is added to stabilize convection as well as the resulting algebraic system that is solved in each time step. We show in numerical examples that the resulting method is accurate and stable and results in well conditioned algebraic systems independent of the position of the interface relative to the background mesh.

  12. Surface studies of gallium nitride quantum dots grown using droplet epitaxy on bulk, native substrates

    NASA Astrophysics Data System (ADS)

    Jones, Christina; Jeon, Sunyeol; Goldman, Rachel; Yacoby, Yizhak; Clarke, Roy

    Gallium nitride (GaN) and its applications in light-emitting diodes play an integral part in efficient, solid-state lighting, as evidenced by its recognition in the 2014 Nobel prize in physics. In order to push this technology towards higher efficiency and reliability and lower cost, we must understand device growth on bulk GaN substrates, which have lower defect densities and strain than template GaN substrates grown on sapphire. In this work, we present our findings on the surface properties of GaN quantum dots (QDs) grown on commercial bulk GaN. QDs are grown using the droplet epitaxy method and analyzed using a surface X-ray diffraction technique called Coherent Bragg Rod Analysis (COBRA), which uses phase retrieval to reconstruct atomic positions near the substrate surface. While several QD growth conditions in our study produce dense QDs, COBRA reveals that only low nitridation temperatures result in GaN QDs that are coherent with the bulk GaN substrate. Results are supported with atomic force microscopy and high-resolution transmission electron microscopy.

  13. 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.

  14. Importance of quantum correction for the quantitative simulation of photoexcited scanning tunneling spectra of semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Schnedler, M.; Dunin-Borkowski, R. E.; Ebert, Ph.

    2016-05-01

    Photoexcited scanning tunneling spectroscopy is a promising technique for the determination of carrier concentrations, surface photovoltages, and potentials of semiconductors with atomic spatial resolution. However, extraction of the desired quantities requires computation of the electrostatic potential induced by the proximity of the tip and the tunnel current. This calculation is based on an accurate solution of the Poisson as well as the continuity equations for the tip-vacuum-semiconductor system. For this purpose, the carrier current densities are modeled by classical drift and diffusion equations. However, for small tip radii and highly doped materials, the drift and diffusion transport model significantly overestimates a semiconductor's carrier concentration near the surface, making the quantification of physical properties impossible. In this paper, we apply quantum correction to the drift and diffusion model, in order to account for the so-called quantum compressibility, i.e., reduced compressibility of the carrier gas due to the Pauli principle, in the region of the tip-induced band bending. We compare carrier concentrations, potentials, and tunnel currents derived with and without quantum correction for GaN (10 1 ¯0 ) and GaAs(110) surfaces to demonstrate its necessity.

  15. Femtosecond laser direct inscription of surface skimming waveguides in bulk glass.

    PubMed

    Bérubé, Jean-Philippe; Vallée, Réal

    2016-07-01

    We present a detailed study of waveguide inscription near the surface of bulk glass using a femtosecond laser. Three silicate glasses used extensively as hosts for photo-induced photonic devices were examined. Our results show that near-surface waveguides generally present a low-index contrast, as the pulse energy damage threshold decreases sharply at close proximity to the surface. We devised a novel method to allow the formation of optical waveguides that exhibit a high-index contrast up to the surface of any transparent material. As a proof of concept, the inscription of near-surface single-mode waveguides operating at a wavelength of 405 nm is demonstrated. PMID:27367105

  16. Bonding and reactivity of clean and chemically-modified semiconductor surfaces probed with STM

    SciTech Connect

    Hamers, R.J.

    1995-12-01

    Scanning tunneling microscopy has been used to directly study the interrelationships between chemical composition, chemical reactivity, electronic structure, and surface morphology at the atomic level on clean and chemically-modified semiconductor surfaces. Our work has focused recently on understanding the atomic-level interactions of dopants such as phosphorus and boron on the Si(001) surface, and the influence of these atoms on other chemical reactions such as the thermal decomposition of disilane to grow epitaxial silicon. Using STM to study how these atoms modify the surface in combination with tunneling spectroscopy to reveal the occupied and unoccupied molecular orbitals of these structures provides direct insight into the nature of chemical bonding on these surfaces. This talk will discuss the application of STM to understand chemical bonding at silicon surfaces.

  17. Quantitative surface studies of protein adsorption by infrared spectroscopy. II. Quantification of adsorbed and bulk proteins

    SciTech Connect

    Fink, D.J.; Hutson, T.B.; Chittur, K.K.; Gendreau, R.M.

    1987-08-15

    Attenuated total reflectance Fourier transform infrared spectra of surface-adsorbed proteins are correlated with concentration measurements determined by /sup 125/I-labeled proteins. This paper demonstrates that linear correlations between the intensity of the major bands of proteins and the quantity of proteins can be obtained for human albumin and immunoglobulin G up to surface concentrations of approximately 0.25 microgram/cm2. A poorer correlation was observed for human fibrinogen. A linear correlation was also observed between the concentration in the bulk solution and the major bands of albumin up to a concentration of 60 mg/ml.

  18. Determination of surface recombination velocity and bulk lifetime in detector grade silicon and germanium crystals

    SciTech Connect

    Derhacobian, N.; Fine, P.; Walton, J.T.; Wong, Y.K.; Rossington, C.S.; Luke, P.N.

    1993-10-01

    Utility of a noncontact photoconductive decay (PCD) technique is demonstrated in measuring bulk lifetime, {tau}{sub B}, and surface recombination velocity, S, in detector grade silicon and germanium crystals. We show that the simple analytical equations which relate the observed effective lifetimes in PCD transients to {tau}{sub B} and S have a limited range of applicability. The noncontact PCD technique is used to determine the effect of several surface treatments on the observed effective lifetimes in Si and Ge. A degradation of the effective lifetime in Si is reported as result of the growth of a thin layer of native oxide at room temperature under atmospheric conditions.

  19. Is surface layering of aqueous alkali halides determined by ion pairing in the bulk solution?

    NASA Astrophysics Data System (ADS)

    Brandes, Eva; Stage, Christiane; Motschmann, Hubert; Rieder, Julian; Buchner, Richard

    2014-11-01

    This contribution aims to elucidate the connection between ion-ion-solvent interactions in the bulk of aqueous electrolyte solutions and the properties of their liquid-air interface. In particular, we were interested in the conditions under which ion pairs form at the surface and whether this is linked to ion pairing in the bulk. For this reason different combinations of hard (Cl-, Li+) and soft ions (I-, Cs+) were investigated. Ion hydration and possible ion association in the bulk was probed with dielectric relaxation spectroscopy. This technique monitors the cooperative reorientation of the dipolar solvent molecules and detects all ion-pair species possibly present in the solution. At the interface, the formation of contact ion pairs was investigated by infrared-visible-sum frequency spectroscopy (SFG). This nonlinear optical technique possesses an inherent surface specificity and can be used for the characterization of interfacial water. The intensity of the SFG-active vibrational stretching modes depends on the number of oriented water molecules. The electric field at the surface of a charged aqueous interface aligns the water dipoles, which in turn increases the SFG response. Hence, the enhancement of the oscillator strengths of the water vibrational modes can be used to draw some conclusions on the strengths and geometrical extension of the electric field. The formation of ion pairs at the interface reduces the intensity of the band associated with hydrogen-bonded water. The underlying theory is presented. The combined data show that there are no contact ion pairs in the bulk of the fluid and—at best—only small amounts of solvent shared ion pairs. On the other hand, the combination of hard/hard or soft/soft ions leads to the formation of ion pairs at the liquid-air interface.

  20. Structural Relaxation and Nanocrystallization-Induced Laser Surface Hardening of Fe-Based Bulk Amorphous Alloys

    NASA Astrophysics Data System (ADS)

    Singh, Ashish K.; Alavi, S. Habib; Paital, Sameer R.; Dahotre, Narendra B.; Harimkar, Sandip P.

    2014-06-01

    Amorphous metallic alloys or bulk metallic glasses are emerging as promising materials for a range of structural, microelectromechanical systems, and biomedical applications. With the recent developments in spark plasma sintering and superplastic forming of the amorphous alloys, it is likely that the amorphous alloys will find a place in new applications. In this article, surface hardening of spark plasma sintered Fe48Cr15Mo14Y2C15B6 bulk amorphous alloys using a continuous-wave Nd:YAG laser is reported. Depending on the processing parameters, the laser surface irradiation causes structural relaxation (enhanced medium-range ordering and/or annihilation of excess free volume) and nanocrystallization of hard carbides (M23C6 and M7C3), resulting in surface hardening. Detailed investigations on the thermal effects, microstructural modifications, and hardness improvements due to laser surface irradiation with laser fluence in the range of 1.77-2.36 J/mm2 are presented. An increase in hardness in the range of 1360-1560 HV for laser surface-treated alloys compared to 1200 HV for as-sintered alloys over a hardening depth of about 50-80 µm is observed.

  1. Topological polymer dispersed liquid crystals with bulk nematic defect lines pinned to handlebody surfaces.

    PubMed

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

    2014-05-16

    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. PMID:24877965

  2. 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.

  3. 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

  4. Surface and bulk phase separations in block copolymers and their blends. Interim report 30 Sep 82-30 Dec 83

    SciTech Connect

    Patel, N.M.; Dwight, D.W.

    1984-03-01

    Surface and bulk properties have been studied in terms of composition and morphology of siloxane containing block copolymers and their blends with homopolymers. X-ray Photoelectron Spectroscopy (XPS) has been used to obtain the compositional information from the top 60 angstroms or so at the surface. Transmission Electron Microscopy (TEM) was utilized to probe the bulk morphology. An attempt is made to compare the bulk and the surface and find possible mechanisms governing them. It is found that solvent-cast neat block copolymers have a uniform layer at the surface that is rich in siloxane whereas their bulk has a microphase-separated domain structure. In case of blends, siloxane enrichment is quite pronounced even at bulk concentrations as low as 0.05% w/w siloxane. Amount of surface siloxane as a function of bulk content is studied with the help of XPS. At the same time, the bulk morphology of these blends is studied by TEM. The changes occuring in the surface and the bulk are found to have similar patterns.

  5. 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.

  6. Kinetic model for electric-field induced point defect redistribution near semiconductor surfaces

    SciTech Connect

    Gorai, Prashun; Seebauer, Edmund G.

    2014-07-14

    The spatial distribution of point defects near semiconductor surfaces affects the efficiency of devices. Near-surface band bending generates electric fields that influence the spatial redistribution of charged mobile defects that exchange infrequently with the lattice, as recently demonstrated for pile-up of isotopic oxygen near rutile TiO{sub 2} (110). The present work derives a mathematical model to describe such redistribution and establishes its temporal dependence on defect injection rate and band bending. The model shows that band bending of only a few meV induces significant redistribution, and that the direction of the electric field governs formation of either a valley or a pile-up.

  7. Exploiting imperfections in the bulk to direct assembly of surface colloids

    PubMed Central

    Cavallaro, Marcello; Gharbi, Mohamed A.; Beller, Daniel A.; Čopar, Simon; Shi, Zheng; Baumgart, Tobias; Yang, Shu; Kamien, Randall D.; Stebe, Kathleen J.

    2013-01-01

    We exploit the long-ranged elastic fields inherent to confined nematic liquid crystals (LCs) to assemble colloidal particles trapped at the LC interface into reconfigurable structures with complex symmetries and packings. Spherical colloids with homeotropic anchoring trapped at the interface between air and the nematic LC 4-cyano-4′-pentylbiphenyl create quadrupolar distortions in the director field causing particles to repel and consequently form close-packed assemblies with a triangular habit. Here, we report on complex open structures organized via interactions with defects in the bulk. Specifically, by confining the nematic LC in an array of microposts with homeotropic anchoring conditions, we cause defect rings to form at well-defined locations in the bulk of the sample. These defects source elastic deformations that direct the assembly of the interfacially trapped colloids into ring-like assemblies, which recapitulate the defect geometry even when the microposts are completely immersed in the nematic. When the surface density of the colloids is high, they form a ring near the defect and a hexagonal lattice far from it. Because topographically complex substrates are easily fabricated and LC defects are readily reconfigured, this work lays the foundation for a versatile, robust mechanism to direct assembly dynamically over large areas by controlling surface anchoring and associated bulk defect structure. PMID:24191037

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

    DOE PAGESBeta

    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

  9. Effect of Oxygen Adsorbates on Terahertz Emission Properties of Various Semiconductor Surfaces Covered with Graphene

    NASA Astrophysics Data System (ADS)

    Bagsican, Filchito Renee; Zhang, Xiang; Ma, Lulu; Wang, Minjie; Murakami, Hironaru; Vajtai, Robert; Ajayan, Pulickel M.; Kono, Junichiro; Tonouchi, Masayoshi; Kawayama, Iwao

    2016-07-01

    We have studied coherent terahertz (THz) emission from graphene-coated surfaces of three different semiconductors—InP, GaAs, and InAs—to provide insight into the influence of O2 adsorption on charge states and dynamics at the graphene/semiconductor interface. The amplitude of emitted THz radiation from graphene-coated InP was found to change significantly upon desorption of O2 molecules by thermal annealing, while THz emission from bare InP was nearly uninfluenced by O2 desorption. In contrast, the amount of change in the amplitude of emitted THz radiation due to O2 desorption was essentially the same for graphene-coated GaAs and bare GaAs. However, in InAs, neither graphene coating nor O2 adsorption/desorption affected the properties of its THz emission. These results can be explained in terms of the effects of adsorbed O2 molecules on the different THz generation mechanisms in these semiconductors. Furthermore, these observations suggest that THz emission from graphene-coated semiconductors can be used for probing surface chemical reactions (e.g., oxidation) as well as for developing O2 gas sensor devices.

  10. Semiconductor processing

    NASA Technical Reports Server (NTRS)

    1982-01-01

    The primary thrust of the semiconductor processing is outlined. The purpose is to (1) advance the theoretical basis for bulk growth of elemental and compound semiconductors in single crystal form, and (2) to develop a new experimental approaches by which semiconductor matrices with significantly improved crystalline and chemical perfection can be obtained. The most advanced approaches to silicon crystal growth is studied. The projected research expansion, directed toward the capability of growth of 4 inch diameter silicon crystals was implemented. Both intra and interdepartmental programs are established in the areas of process metallurgy, heat transfer, mass transfer, and systems control. Solutal convection in melt growth systems is also studied.

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

    DOEpatents

    Alivisatos, A. Paul; Colvin, Vicki L.

    1998-01-01

    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.

  12. 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.

  13. Effect of size on bulk and surface cohesion energy of metallic nano-particles

    NASA Astrophysics Data System (ADS)

    Yaghmaee, M. S.; Shokri, B.

    2007-04-01

    The knowledge of nano-material properties not only helps us to understand the extreme behaviour of small-scale materials better (expected to be different from what we observe from their bulk value) but also helps us to analyse and design new advanced functionalized materials through different nano technologies. Among these fundamental properties, the cohesion (binding) energy mainly describes most behaviours of materials in different environments. In this work, we discuss this fundamental property through a nano-thermodynamical approach using two algorithms, where in the first approach the size dependence of the inner (bulk) cohesion energy is studied, and in the second approach the surface cohesion energy is considered too. The results, which are presented through a computational demonstration (for four different metals: Al, Ga, W and Ag), can be compared with some experimental values for W metallic nano-particles.

  14. Electro-optic modulation in bulk silicon using surface plasmon resonance

    NASA Astrophysics Data System (ADS)

    Debnath, Kapil; Damas, Pedro; O'Faolain, Liam

    2016-01-01

    We propose and present simulated results for a new design of an optical modulator based on Surface Plasmon Polariton (SPP) resonance. The modulator is realized on a bulk silicon substrate, thus offering an opportunity for front-end integration with electronic circuits. The device consists of a dielectric waveguide evanescently coupled to a SPP mode at the interface between bulk silicon and metal. By using SPP resonance we achieved an ultra-high spectral sensitivity (∼5000 nm/refractive index unit) with large modulation bandwidth (90 nm). For a refractive index change of 0.02, we achieved 100 nm shift in resonance wavelength and a modulation depth of ∼10 dB.

  15. Coexistence of Bulk and Surface Shubnikov-de Haas Oscillations in Bi2Se3

    NASA Astrophysics Data System (ADS)

    Qu, Fanming; Zhang, Chi; Du, Rui-Rui; Lu, Li

    2013-03-01

    Our Hall bar shape device based on Bi2Se3 nano-plate was fabricated and studied at a dilution temperature with a tilted magnetic field up to 45 Tesla. It is found that, three types of carriers, one of three-dimensional (3D) and two of two-dimensional (2D), were identified by analyzing the angular dependence of Shubnikov-de Haas (SdH) oscillations, which confirmed the coexistence of bulk carriers and band bending induced two-dimensional electron gas in our transport experiment. The co-contributions to quantum oscillations indicated the independence of these states, without smearing out by scattering between each other, which may lay the foundations for detecting topological surface states (TSS) with residual bulk carriers in Bi2Se3.

  16. Near-Surface and Bulk Behavior of Bicontinuous Microemulsions under High-Pressure Conditions.

    PubMed

    Berghaus, Melanie; Paulus, Michael; Salmen, Paul; Al-Ayoubi, Samy; Tolan, Metin; Winter, Roland

    2016-07-28

    The effect of hydrostatic pressure on the structure of a bicontinuous microemulsion in the presence of a solid interface has been studied by X-ray reflectometry and compared to the bulk behavior determined by small-angle X-ray scattering. Surface-induced lamellar ordering is observed close to the hydrophilic interface, which persists upon compression. The lamellar domains are compressed, but the correlation length of lamellar order does not change with pressure. SAXS measurements on the bulk microemulsion revealed an increased order upon pressurization. Although pressure can cause the formation of highly ordered lamellar phases from ordered bicontinuous cubic phases, such a scenario is not observed for the disordered analogue studied here. High pressure increases the stiffness of the interfacial surfactant layer, but this is not sufficient to overcome the loss in conformational entropy that would result from a transition to an ordered lamellar phase. Possible technological and biological implications of our results are briefly discussed. PMID:27387338

  17. Roughening of an interface in a system with surface or bulk disorder

    NASA Astrophysics Data System (ADS)

    Corberi, Federico; Lippiello, Eugenio; Zannetti, Marco

    2016-05-01

    We study numerically the roughening properties of an interface in a two-dimensional Ising model with either random bonds or random fields, which are representative of universality classes where disorder acts only on the interface or also away from it, in the bulk. The dynamical structure factor shows a rich crossover pattern from the form of a pure system at large wavevectors k, to a different behavior, typical of the kind of disorder, at smaller k's. For the random field model a second crossover is observed from the typical behavior of a system where disorder is only effective on the surface, as the random bond model, to the truly large scale behavior, where bulk-disorder is important, that is observed at the smallest wavevectors.

  18. Evaluation of bulk β-FeSi2 crystal as a solar cell semiconductor through the photo-response measurements of Al/n-β-FeSi2 Schottky diodes

    NASA Astrophysics Data System (ADS)

    Fukuzawa, Yasuhiro; Ootsuka, Teruhisa; Nakayama, Yasuhiko; Makita, Yunosuke

    2008-04-01

    β-FeSi2 has many attracting properties as a semiconductor not consisting of toxic chemical elements and is an ideal semiconductor as a thin film solar cell owing to its extremely high optical absorption coefficient. To evaluate β-FeSi2 as a solar cell, photo-response measurement is critically important and useful. Since β-FeSi2 thin films are normally deposited on Si substrates, intrinsic photo-response of β-FeSi2 is usually difficult to be collected due to the strong contribution from Si substrates. We here present the photo-response from bulk β-FeSi2 crystals, expecting that we can eliminate the contributions coming from the Si substrates and the crystallographic defects existing at the β-FeSi2/Si interfaces when we use β-FeSi2 thin films. We prepared bulk specimens by chemical vapor transport method (CVT) in which needle-like and plate-like β-FeSi2 crystals were obtained. We chose the former specimens for the formation of Al/n-β-FeSi2 Schottky contacts to measure their photo-responses. These contacts were found to form Schottky diodes even though there are large series resistances and leakage currents. Under laser light illumination of 1.31 μm through optical fiber, the positive voltage was observed between the Al contact and the In solder glued to the back-surface of β-FeSi2 bulk specimen. Two-dimensional distribution of photo-responses were measured by scanning the above optical fiber with the spot size of 50 μm. The highest photo-response was obtained in the vicinity of Al wire, and was 7.7 mA/W for the as-grown sample, and 31 mA/W for the annealing one, respectively. These observations state that β-FeSi2 holds appropriate optical features to be used as a solar cell.

  19. Determination of local atomic arrangements in a bulk-immiscible surface alloy

    NASA Astrophysics Data System (ADS)

    Witkowski, Kristine Rose

    Surface alloys are two-dimensional phases confined to near-surface regions, and are known to form from atomic species that are immiscible in the bulk. In order to achieve a better understanding of this phenomenon, it is necessary to be able to accurately determine the bond lengths present within the surface alloy. The present work focuses on surface alloying in the bulk-immiscible Au-Ni system, which forms surface alloy phases that are amongst the most studied to date. First principles electronic density functional theory calculations were conducted for both "monomer" (single Au atom), and "dimer" (pair of Au atoms) surface alloying models for the Au-Ni(110) surface. Both of the models exhibited surface interlayer contractions and expansions similar to those reported for a Ni(110) surface. The resulting atomic positions corresponded to Au-Ni bond lengths of 2.61-2.80 A in the monomer model and 2.54-2.84 A in the dimer model. Surface extended x-ray absorption fine structure (SEXAFS) measurements were taken from Au-Co11Ni89(110) surface alloys. The software program FEFF8 was used in combination with the first principles calculated atomic positions for the surface alloy models to simulate the SEXAFS from each of the surface alloy models. Fits were conducted from these models resulting in the determination of Au-Ni bond lengths of 2.55-2.74 A with the monomer model, and 2.46-2.76 A with the dimer model. The present work features the first theoretical first principles study of all of the sub-monolayer structures of the Au-Ni(110) system. This work was also the first to employ DFT calculated atomic positions as initial models for simulating theoretical SEXAFS spectra to assist in the fitting of experimental measurements. In doing this, the theoretical calculations allowed for a much better starting point in the fits, while the results from the fits gave an indication to the strengths and weaknesses of the surface calculations, since they highlighted an apparent slight

  20. Metal-oxide-semiconductor-compatible ultra-long-range surface plasmon modes

    NASA Astrophysics Data System (ADS)

    Durfee, C. G.; Furtak, T. E.; Collins, R. T.; Hollingsworth, R. E.

    2008-06-01

    Long-range surface plasmons traveling on thin metal films have demonstrated promising potential in subwavelength waveguide applications. In work toward device applications that can leverage existing silicon microelectronics technology, it is of interest to explore the propagation of surface plasmons in a metal-oxide-semiconductor geometry. In such a structure, there is a high refractive index contrast between the semiconductor (n ≈3.5 for silicon) and the insulating oxide (typically n ≈1.5-2.5). However, the introduction of dielectrics with disparate refractive indices is known to strongly affect the guiding properties of surface plasmons. In this paper, we analyze the implications of high index contrast in 1D layered surface plasmon structures. We show that it is possible to introduce a thin dielectric layer with a low refractive index positioned next to the metal without adversely affecting the guiding quality. In fact, such a configuration can dramatically increase the propagation length of the conventional long-range mode. While this study is directed at silicon-compatible waveguides working at telecommunications wavelengths, this configuration has general implications for surface plasmon structure design using other materials and operating at alternative wavelengths.

  1. Chemical and thermodynamic control of the surface of semiconductor nanocrystals for designer white light emitters.

    PubMed

    Krause, Michael M; Mooney, Jonathan; Kambhampati, Patanjali

    2013-07-23

    Small CdSe semiconductor nanocrystals with diameters below 2 nm are thought to emit white light due to random surface defects which result in a broad distribution of midgap emitting states, thereby preventing rational design of small nanocrystal white light emitters. We perform temperature dependent photoluminescence experiments before and after ligand exchange and electron transfer simulations to reveal a very simple microscopic picture of the origin of the white light. These experiments and simulations reveal that these small nanocrystals can be physically modeled in precisely the same way as normal-sized semiconductor nanocrystals; differences in their emission spectra arise from their surface thermodynamics. The white light emission is thus a consequence of the thermodynamic relationship between a core excitonic state and an optically bright surface state with good quantum yield. By virtue of this understanding of the surface and the manner in which it is coupled to the core excitonic states of these nanocrystals, we show both chemical and thermodynamic control of the photoluminescence spectra. We find that using both temperature and appropriate choice in ligands, one can rationally control the spectra so as to engineer the surface to target color rendering coordinates for displays and white light emitters. PMID:23802709

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

    DOE PAGESBeta

    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 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

  3. 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).

  4. 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.

  5. 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. PMID:24737636

  6. Surface conduction of topological Dirac electrons in bulk insulating Bi2Se3

    NASA Astrophysics Data System (ADS)

    Fuhrer, Michael

    2013-03-01

    The three dimensional strong topological insulator (STI) is a new phase of electronic matter which is distinct from ordinary insulators in that it supports on its surface a conducting two-dimensional surface state whose existence is guaranteed by topology. I will discuss experiments on the STI material Bi2Se3, which has a bulk bandgap of 300 meV, much greater than room temperature, and a single topological surface state with a massless Dirac dispersion. Field effect transistors consisting of thin (3-20 nm) Bi2Se3 are fabricated from mechanically exfoliated from single crystals, and electrochemical and/or chemical gating methods are used to move the Fermi energy into the bulk bandgap, revealing the ambipolar gapless nature of transport in the Bi2Se3 surface states. The minimum conductivity of the topological surface state is understood within the self-consistent theory of Dirac electrons in the presence of charged impurities. The intrinsic finite-temperature resistivity of the topological surface state due to electron-acoustic phonon scattering is measured to be ~60 times larger than that of graphene largely due to the smaller Fermi and sound velocities in Bi2Se3, which will have implications for topological electronic devices operating at room temperature. As samples are made thinner, coherent coupling of the top and bottom topological surfaces is observed through the magnitude of the weak anti-localization correction to the conductivity, and, in the thinnest Bi2Se3 samples (~ 3 nm), in thermally-activated conductivity reflecting the opening of a bandgap.

  7. Surface reaction and bulk diffusion of tritium in SUS-316 stainless steel

    NASA Astrophysics Data System (ADS)

    Sugisaki, M.; Furuya, H.; Ueki, H.; Ejima, S.

    1985-08-01

    Diffusivities of tritium in SUS-316 stainless steel were measured by a gas-absorption method in the temperature range from 603 to 853 K. The measurements were carried out on clean and modified surfaces, which were carefully prepared by well characterized treatments. The diffusion behavior of the clean surface is successfully described by a simple diffusion equation and the bulk diffusion coefficient of tritium was determined as D(cm 2/s) = 4.2 × 10 2 exp( {-64}/{( {RT}/{kJ}) }) . The diffusion process for the modified surface was not explained by a simple diffusion equation but by a diffusion equation having an induction period. The microscopic explanation of the induction period is given.

  8. Surface plasmon assisted hot electron collection in wafer-scale metallic-semiconductor photonic crystals.

    PubMed

    Chou, Jeffrey B; Li, Xin-Hao; Wang, Yu; Fenning, David P; Elfaer, Asmaa; Viegas, Jaime; Jouiad, Mustapha; Shao-Horn, Yang; Kim, Sang-Gook

    2016-09-01

    Plasmon assisted photoelectric hot electron collection in a metal-semiconductor junction can allow for sub-bandgap optical to electrical energy conversion. Here we report hot electron collection by wafer-scale Au/TiO2 metallic-semiconductor photonic crystals (MSPhC), with a broadband photoresponse below the bandgap of TiO2. Multiple absorption modes supported by the 2D nano-cavity structure of the MSPhC extend the photon-metal interaction time and fulfill a broadband light absorption. The surface plasmon absorption mode provides access to enhanced electric field oscillation and hot electron generation at the interface between Au and TiO2. A broadband sub-bandgap photoresponse centered at 590 nm was achieved due to surface plasmon absorption. Gold nanorods were deposited on the surface of MSPhC to study localized surface plasmon (LSP) mode absorption and subsequent injection to the TiO2 catalyst at different wavelengths. Applications of these results could lead to low-cost and robust photo-electrochemical applications such as more efficient solar water splitting. PMID:27607726

  9. Surface and bulk absorption characteristics of chemically vapor-deposited zinc selenide in the infrared.

    PubMed

    Klein, C A; Miller, R P; Stierwalt, D L

    1994-07-01

    Chemically vapor-deposited zinc selenide exhibits outstanding properties in the infrared and has been established as a prime material for transmissive optics applications. Here we present and discuss data relating to the surface and the bulk absorption forward-looking infrared- (FLIR-) grade chemically vapor-deposited ZnSe, at wavelengths (2-20 µm) and temperatures (100-500 K) of current interest.

    This investigation is based on both spectral emittance measurements and infrared transmission spectroscopy performed in the context of a systems development program. Surface effects can be detected at wavelengths of up to 14 µm and usually predominate at wavelengths of less than 8 µm. Fractional surface absorptions are temperature independent from approximately 200 to 400 K and can be fitted to a Fourier series, at wavelengths ranging from 3.5 to 13.5 µm. The bulk absorption coefficient (βv) is strongly dependent on temperature as well as wavelength, but it can be approximated by a bivariate polynomial expressin that yields recommended values. At wavelengths λ ≲ 10 µm, βv decreases with increasing temperature; it is shown that a wavelength-independent Debye-Waller factor provides a correct description of the temperature dependence, thus pointing to infrared-active localized modes. At wavelengths λ ≳ 14 µm, βv increases with temperature and exhibits temperature dependencies (T(1.7), T(2.6)) that reflect three- and four-phonon summation processes. Finally, an analysis of the temperature dependence of βv at 10.6 µm demonstrates that the intrinsic lattice dynamical contribution to bulk absorption at this wavelength should be close to 4 × 10(-4) cm(-1), in accord with the results of earlier laser calorimetry tests performed on exceptionally pure laser-grade chemically vapor-deposited ZnSe.

    PMID:20935788

  10. 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%.

  11. 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.

  12. Ion beam sputtered nanostructured semiconductor surfaces as templates for nanomagnet arrays.

    PubMed

    Teichert, C; de Miguel, J J; Bobek, T

    2009-06-01

    The ongoing tendency for increasing the storage densities in magnetic recording techniques requires a search for efficient routes to fabricate and characterize nanomagnet arrays on solid supports. Spontaneous pattern formation in semiconductor heteroepitaxy or under ion erosion of semiconductor surfaces yields nanostructured substrates that can serve as templates for subsequent deposition of magnetic material. The nanostructured morphology of the template can easily be replicated into the magnetic coating by means of the shadow deposition technique which allows one to selectively cover specific areas of the template with magnetic material. Here, we demonstrate that ion bombardment induced hexagonally arranged GaSb dots are suitable templates for fabricating by shadow deposition close-packed nanomagnets with a lateral extension of ≤50 nm, i.e. with a resulting storage density of up to 0.2 Tbit in(-2). Magnetic-force microscopy (MFM) measurements revealed that the individual nanomagnets-which are located on the tops of the semiconductor hillocks-are single domain and show mainly independent magnetization. The coupling behaviour was estimated from correlation function analysis of the MFM data. In addition, magneto-optical Kerr effect measurements demonstrate that the nanomagnets can be magnetized either out-of-plane or in-plane and show remanence at room temperature, with a coercive field of 120 mT. PMID:21715763

  13. Tuning semiconductor band edge energies for solar photocatalysis via surface ligand passivation.

    PubMed

    Yang, Shenyuan; Prendergast, David; Neaton, Jeffrey B

    2012-01-11

    Semiconductor photocatalysts capable of broadband solar photon absorption may be nonetheless precluded from use in driving water splitting and other solar-to-fuel related reactions due to unfavorable band edge energy alignment. Using first-principles density functional theory and beyond, we calculate the electronic structure of passivated CdSe surfaces and explore the opportunity to tune band edge energies of this and related semiconductors via electrostatic dipoles associated with chemisorbed ligands. We predict substantial shifts in band edge energies originating from both the induced dipole at the ligand/CdSe interface and the intrinsic dipole of the ligand. Building on important induced dipole contributions, we further show that, by changing the size and orientation of the ligand's intrinsic dipole moment via functionalization, we can control the direction and magnitude of the shifts of CdSe electronic levels. Our calculations suggest a general strategy for enabling new active semiconductor photocatalysts with both optimal opto-electronic, and photo- and electrochemical properties. PMID:22192078

  14. 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. PMID:22738117

  15. Focus Adjustment System of Laser Probe for Radio Frequency Surface and Bulk Acoustic Wave Devices

    NASA Astrophysics Data System (ADS)

    Wu, Nan; Kashiwa, Keisuke; Hashimoto, Ken-ya; Omori, Tatsuya; Yamaguchi, Masatsune; Kasai, Naoki

    2009-10-01

    In this paper, we describe a focus adjustment system designed especially for a fast-mechanical-scanning laser probe for radio-frequency surface and bulk acoustic wave devices. When high spatial resolution is necessary for the observation, one needs an objective lens of large magnifying power with extremely shallow focal depth. Then, a small inclination of a measurement device may cause severe defocus resulting in blurred images. We installed the focus adjustment system in the laser probe, and showed that even with inclination, high-quality information of the wave field can be acquired without reducing the scanning speed.

  16. 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.

  17. Sensitivity analysis of two-spectrum separation of surface and bulk components of minority carrier lifetimes

    NASA Astrophysics Data System (ADS)

    Brody, Jed; Rohatgi, Ajeet

    2002-06-01

    Performing quasi-steady-state lifetime measurements using two different illuminating spectra provides quantitative information about bulk lifetime ( τb) and surface recombination velocity ( S). This paper motivates the investigation of this relatively new method by demonstrating that the conventional method of iodine/methanol passivation for the extraction of τb, which is then used to calculate S for a dielectric, may fail for solar-grade materials such as string ribbon silicon. To facilitate the use of the two-spectrum method, first we introduce a novel empirical procedure for the determination of the constant of proportionality between the short-circuit current of the reference cell and the average generation rate ( Gav) in the test wafer. Then a sensitivity analysis is performed to show that the method of using a white light spectrum and an infrared spectrum to obtain information about τb and S also has serious limitations in certain cases: only a lower bound can be placed on τb for τb greater than about 10 μs, and only an upper bound can be placed on S for S less than about 1000 cm/s. Our analysis demonstrates that in order to use the two-spectrum method to specify τb and S within a factor of about 2-20 when experimental uncertainty is ±10%, the quality of both the bulk of the material and the surface passivation must be somewhat poor. Precision may be improved by reducing experimental uncertainty. To illustrate the requirement that bulk and surface recombination must be high in order to use the two-spectrum method with the greatest precision, the method was applied to nitride-passivated float zone and cast multicrystalline silicon wafers of different resistivity. Only an upper limit to S (165 cm/s) was inferred for the easily passivated float zone wafer, whereas both upper and lower limits to S were extracted for the less effectively passivated heat-exchanger method (HEM) multicrystalline wafers. The analysis yielded 1200< S<4200 cm/s for the 1.4 Ω cm

  18. 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

  19. Improvement of flow and bulk density of pharmaceutical powders using surface modification.

    PubMed

    Jallo, Laila J; Ghoroi, Chinmay; Gurumurthy, Lakxmi; Patel, Utsav; Davé, Rajesh N

    2012-02-28

    Improvement in flow and bulk density, the two most important properties that determine the ease with which pharmaceutical powders can be handled, stored and processed, is done through surface modification. A limited design of experiment was conducted to establish a standardized dry coating procedure that limits the extent of powder attrition, while providing the most consistent improvement in angle of repose (AOR). The magnetically assisted impaction coating (MAIC) was considered as a model dry-coater for pharmaceutical powders; ibuprofen, acetaminophen, and ascorbic acid. Dry coated drug powders were characterized by AOR, particle size as a function of dispersion pressure, particle size distribution, conditioned bulk density (CBD), Carr index (CI), flow function coefficient (FFC), cohesion coefficient using different instruments, including a shear cell in the Freeman FT4 powder rheometer, and Hansen flowability index. Substantial improvement was observed in all the measured properties after dry coating relative to the uncoated powders, such that each powder moved from a poorer to a better flow classification and showed improved dispersion. The material intrinsic property such as cohesion, plotted as a function of particle size, gave a trend similar to those of bulk flow properties, AOR and CI. Property improvement is also illustrated in a phase map of inverse cohesion (or FFC) as a function of bulk density, which also indicated a significant positive shift due to dry coating. It is hoped that such phase maps are useful in manufacturing decisions regarding the need for dry coating, which will allow moving from wet granulation to roller compaction or to direct compression based formulations. PMID:22197769

  20. A new theory of bubble stability: Implications for nanobubbles at surfaces and in bulk solution

    NASA Astrophysics Data System (ADS)

    Craig, Vincent

    2013-11-01

    Nanobubbles on hydrophobic surfaces can be imaged using Atomic Force Microscopy and are implicated in the very long-range attraction measured between hydrophobic surfaces. However, the widely accepted theory of bubble dissolution predicts that small bubbles under the influence of Laplace pressure should rapidly dissolve resulting in bubble lifetimes of less than a second. Such short lifetimes should preclude nanobubbles from having an effect on surface force measurements or being observed by AFM, yet nanobubbles are readily observed by AFM and widely implicated in force measurements between hydrophobic surfaces. This has led to a number of attempts at describing their unexpected stability, though no explanation is currently widely accepted. Additionally, nanobubbles have contact angles substantially greater (measured through the more dense liquid phase) than the equivalent macroscopic contact angle. It is clear that nanobubbles at surfaces pose a number of problems that are yet to be resolved. Additionally, recent reports of long-lived nanobubbles in bulk solution add to the mystery. Here we present a new theory describing the stability of nanobubbles. We calculate their lifetimes as a function of gas supersaturation and explain the long lifetimes observed. The same theory predicts that bulk nanobubbles should be stable under certain circumstances. Further, in an extension of this work we explain the difference in contact angle between the nanoscopic and macroscopic measurements and describe in detail the process by which nanobubbles are formed during solvent exchange. Experimental evidence is presented supporting this new approach and showing that this theoretical framework has parallels in other nucleated systems. This work was supported by an ARC Future Fellowship.

  1. Surface plasmon mediated strong exciton-photon coupling in semiconductor nanocrystals.

    PubMed

    Gómez, D E; Vernon, K C; Mulvaney, P; Davis, T J

    2010-01-01

    We present an experimental demonstration of strong coupling between a surface plasmon propagating on a planar silver thin film and the lowest excited state of CdSe nanocrystals. Attenuated total reflection measurements demonstrate the formation of plasmon-exciton mixed states, characterized by a Rabi splitting of approximately 112 meV at room temperature. Such a coherent interaction has the potential for the development of nonlinear plasmonic devices, and furthermore, this system is akin to those studied in cavity quantum electrodynamics, thus offering the possibility to study the regime of strong light-matter coupling in semiconductor nanocrystals under easily accessible experimental conditions. PMID:20000744

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

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

    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.

  3. 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

  4. 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.

  5. Optical surface polaritons of TM type at the nonlinear semiconductor-nanocomposite interface

    NASA Astrophysics Data System (ADS)

    Panyaev, I. S.; Rozhleis, I. A.; Sannikov, D. G.

    2016-03-01

    TM-polarized optical surface polaritons in a nonlinear semiconductor-nanocomposite guiding structure have been considered. The nanocomposite consists of alternating layers of bismuth-containing garnet ferrite (BIG, Lu3 - x Bi x Fe5 - y Ga y O12) and gallium-gadolinium garnet (Gd3Ga5O12), and the semiconductor ( n-InSb) has a cubic nonlinearity and is characterized by two components of the nonlinear susceptibility tensor. With allowance for the anisotropy of the optical properties of the nanocomposite, caused by the magnetization of the BIG layers, the dispersion relation has been obtained and analyzed and its solutions are shown to split into two pairs of high- and low-frequency branches. The influence of the electric field at the interface on the wave characteristics and the existence domains of nonlinear surface TM polaritons has been studied. By solving the inverse problem of finding the profile of the longitudinal electric component of the surface polariton, it has been found that the nonlinearity gives rise to soliton-like wave fields.

  6. A Generic Guiding Principle for the Prediction of Metal-Induced Reconstructions of Compound Semiconductor Surfaces

    SciTech Connect

    Yang, Shenyuan; Zhang, Lixin; Chen, Hua; Wang, Enge; Zhang, Zhenyu

    2008-01-01

    We have performed extensive and systematical ab initio calculations to substantiate a recently proposed generalized electron counting (GEC) rule that governs the rich patterns of compound semiconductor reconstruction induced by metal adsorption. In this rule, the metal adsorbates serve as an electron bath, either donating or accepting the right number of electrons, with which the binary host system chooses a specific reconstruction under the classical electron counting rule, and meanwhile, the adsorbates stay in their optimal valency. The GEC rule is applied to different GaAs surfaces deposited by various classes of metal adsorbates, leading to a number of possible reconstructions, which can be further confirmed by first-principles calculations and/or experiments. The alkali metal adsorption on the GaAs(110) surface up to the saturate coverage is a perfect example of the GEC rule. The application of the GEC rule to the prototype system of Mn/GaAs(001) not only predicts possible reconstruction patterns over a wide range of coverage, but also provides an underlying link between the reconstruction structures and the local magnetic moments of the metal adsorbates. In Au/GaAs(100), we demonstrate the application of the GEC rule to those systems where metal adsrobates form covalent bonds with the substrate. The GEC rule, as a generic principle, is expected to be applicable to more metal-adsorbed compound semiconductor surfaces. PACS numbers: 68.35.-p, 68.43.Bc, 75.70.-i

  7. 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.

  8. Bulk, surface, and gas-phase limited water transport in aerosol.

    PubMed

    Davies, James F; Haddrell, Allen E; Miles, Rachael E H; Bull, Craig R; Reid, Jonathan P

    2012-11-15

    The influence of solute species on mass transfer to and from aqueous aerosol droplets is investigated using an electrodynamic balance coupled with light scattering techniques. In particular, we explore the limitations imposed on water evaporation by slow bulk phase diffusion and by the formation of surface organic films. Measurements of evaporation from ionic salt solutions, specifically sodium chloride and ammonium sulfate, are compared with predictions from an analytical model framework, highlighting the uncertainties associated with quantifying gas diffusional transport. The influence of low solubility organic acids on mass transfer is reported and compared to both model predictions and previous work. The limiting value of the evaporation coefficient that can be resolved by this approach, when uncertainties in key thermophysical quantities are accounted for, is estimated. The limitation of slow bulk phase diffusion on the evaporation rate is investigated for gel and glass states formed during the evaporation of magnesium sulfate and sucrose droplets, respectively. Finally, the effect of surfactants on evaporation has been probed, with soluble surfactants (such as sodium dodecyl sulfate) leading to little or no retardation of evaporation through slowing of surface layer kinetics. PMID:23095147

  9. 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

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

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

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

    PubMed

    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 Cu(0.02)Bi2Se3 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

  12. 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.)

  13. Disentangling bulk from surface contributions in the electronic structure of black phosphorus

    NASA Astrophysics Data System (ADS)

    Golias, E.; Krivenkov, M.; Sánchez-Barriga, J.

    2016-02-01

    Most recently, black phosphorus has come into focus as a promising material for future applications in nanoelectronic devices due to its unique electronic and transport properties. Here, we use angle-resolved photoemission spectroscopy in conjunction with ab initio calculations within the framework of density-functional theory to disentangle surface from the bulk contributions in the electronic structure of black phosphorus. We find good agreement between our theoretical predictions for the intra- and interlayer energy-momentum dispersions and the experimentally obtained three-dimensional band structure of this material. Our results provide compelling evidence for the existence of surface-resonant states near the top of the valence band, which can play an important role in the performance of electronic devices based on black phosphorus.

  14. Experimental study on the surface characteristics of Pd-based bulk metallic glass

    NASA Astrophysics Data System (ADS)

    Zhang, Xiang; Sun, Bingli; Zhao, Na; Li, Qian; Hou, Jianhua; Feng, Weina

    2014-12-01

    The metallic glass has many unique and desirable physical and chemical characteristics for their long-range disordered atomic structure, among them the interfacial properties of the metallic glasses are crucial for their applications and manufacturing. In this work, the contact wetting angles between the polymer melts and Pd40Cu30Ni10P20 bulk metallic glass (Pd-BMG) with four kinds of roughness were analyzed. Experiments show the order of four polymers wettability on Pd-BMG was PP > HDPE > COC > PC. The surface free energy of Pd-BMG was estimated by Owens-Wendt method using the contact angles of three testing liquids. Neumann method was also used to further evidence the surface free energy of Pd-BMG comparing with PTFE, mold steels NAK80 and LKM2343ESR. The results provide theoretical and technical supports for the fabrication of metallic glass micro mold and the parameter optimization of polymer micro injection molding.

  15. Differentiation of Surface and Bulk Conductivities in Topological Insulators via Four-Probe Spectroscopy.

    PubMed

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

    2016-04-13

    We show a new method to differentiate conductivities from the surface states and the coexisting bulk states in topological insulators using a four-probe transport spectroscopy in a multiprobe scanning tunneling microscopy system. We derive a scaling relation of measured resistance with respect to varying interprobe spacing for two interconnected conduction channels to allow 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 against 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 topological insulators. The method offers a means to understanding not just the topological insulators but also the 2D to 3D crossover of conductance in other complex systems. PMID:26954427

  16. Reference-free total reflection X-ray fluorescence analysis of semiconductor surfaces with synchrotron radiation.

    PubMed

    Beckhoff, Burkhard; Fliegauf, Rolf; Kolbe, Michael; Müller, Matthias; Weser, Jan; Ulm, Gerhard

    2007-10-15

    Total reflection X-ray fluorescence (TXRF) analysis is a well-established method to monitor lowest level contamination on semiconductor surfaces. Even light elements on a wafer surface can be excited effectively when using high-flux synchrotron radiation in the soft X-ray range. To meet current industrial requirements in nondestructive semiconductor analysis, the Physikalisch-Technische Bundesanstalt (PTB) operates dedicated instrumentation for analyzing light element contamination on wafer pieces as well as on 200- and 300-mm silicon wafer surfaces. This instrumentation is also suited for grazing incidence X-ray fluorescence analysis and conventional energy-dispersive X-ray fluorescence analysis of buried and surface nanolayered structures, respectively. The most prominent features are a high-vacuum load-lock combined with an equipment front end module and a UHV irradiation chamber with an electrostatic chuck mounted on an eight-axis manipulator. Here, the entire surface of a 200- or a 300-mm wafer can be scanned by monochromatized radiation provided by the plane grating monochromator beamline for undulator radiation in the PTB laboratory at the electron storage ring BESSY II. This beamline provides high spectral purity and high photon flux in the range of 0.078-1.86 keV. In addition, absolutely calibrated photodiodes and Si(Li) detectors are used to monitor the exciting radiant power respectively the fluorescence radiation. Furthermore, the footprint of the excitation radiation at the wafer surface is well-known due to beam profile recordings by a CCD during special operation conditions at BESSY II that allow for drastically reduced electron beam currents. Thus, all the requirements of completely reference-free quantitation of TXRF analysis are fulfilled and are to be presented in the present work. The perspectives to arrange for reference-free quantitation using X-ray tube-based, table-top TXRF analysis are also addressed. PMID:17880182

  17. 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.

  18. High Resolution X-ray Diffraction Characterization of III-Nitride Semiconductors: Bulk Crystals and Thin Films

    NASA Astrophysics Data System (ADS)

    Bobea, Milena Rebeca

    As III-nitrides continue to evolve into a homoepitaxial growth scenario, the development of non-traditional metrologies for the proper study of III-nitride single crystals and homoepitaxial thin films becomes critical. To this purpose, the work presented in this dissertation has focused on the development and application of suitable high resolution X-ray diffraction (HRXRD) methods, desirable for their sensitivity, accuracy and non-destructive nature. HRXRD techniques were explored and developed for the identification of polishing-induced damage in processed III-nitride single crystals, the structural analysis of non-polar AlN homoepitaxial films grown on AlN single crystals and the assessment of alloy film characteristics of AlxGa1-xN epilayers deposited on AlN substrates. AlN and GaN substrates were treated to various degrees of mechanical polishing and chemical mechanical polishing (CMP). Gross damage created from aggressive polishing was readily quantified using X-ray rocking curve (XRC) peak broadening and diffuse scatter intensity. However, once the wafers were exposed to CMP treatment, it was found that the use of line scanning methods was unable to distinguish the effects of CMP time exposure on the crystal surface. Alternatively, the analysis of surface-related diffraction features recorded from on- and off-axis high-resolution reciprocal space maps (RSMs) allowed the classification of remnant damage in CMP-treated substrates as a function of CMP exposure time. By comparing the crystal truncation rod intensity and the pole diffuse scatter magnitude, differences at the near-surface regions of CMP-processed wafers were qualitatively and quantitatively measured. For AlN, the mapping of the (101¯3) reflection, observable under grazing incidence conditions, was introduced as an effective HRXRD method to analyze the crystal surface of AlN substrates using a laboratory source. HRXRD methods were employed on high-quality non-polar homoepitaxial AlN films grown on

  19. Hydrogen in semiconductors and metals

    SciTech Connect

    Nickel, N.H.; Jackson, W.B.; Bowman, R.C.; Leisure, R.G.

    1998-12-31

    Major highlights of the conference include further understanding of the structure of extended hydrogen clusters in semiconductors, switchable optical properties of metal-hydride films, reversible changes in the magnetic coupling in metallic superlattices, and increased lifetime of integrated circuits due to deuterium device passivation. Continued progress has also been achieved in understanding hydrogenation of defects in compound semiconductors and on surfaces. Total energy calculations in semiconductors have progressed sufficiently to predict energetics and vibration frequencies as measured by experiment. Similarly, electronic structure calculations of hydrogen-metal systems provide a deeper understanding of stability, bonding, and phase changes. Various nuclear techniques have been refined to yield important information regarding the concentration and transport of hydrogen in condensed matter. Finally, the interaction of hydrogen to create thermal donors has been used to create deep p-n junctions without the need for deep diffusion of dopants. The volume has been organized along the order of presentation within the conference. Similar methods and subjects have been grouped together. The authors have attempted to keep similar metal and semiconductor papers together in order to further promote cross-fertilization between the fields. Major categories include hydrogen on surfaces, theory and thermodynamics, hydrogen transport phenomena, nuclear characterization techniques, compound semiconductors, metal bulk, devices and applications, bulk silicon, and carbon and carbon-like materials. Separate abstracts were prepared for most papers.

  20. From nanopatterning to functionality—surface and bulk imprinting for analytical purposes

    NASA Astrophysics Data System (ADS)

    Lieberzeit, Peter A.; Schirk, Christian; Glanznig, Gerd; Gazda-Miarecka, Sylwia; Bindeus, Roland; Nannen, Henning; Kauling, Jörg; Dickert, Franz L.

    2004-07-01

    Combining the appropriate transducer with the optimised sensitive layer is the fundamental challenge in sensor development. Acoustic devices, such as quartz crystal microbalances (QCMs) respond according to the Sauerbrey equation as long as the analyte is rigidly attached and moving with the transducer surface. This is true for example for automotive engine oil degradation products incorporated into bulk-imprinted TiO 2-layers produced by a sol-gel-process. In the case of larger particles, such as yeast cells or viruses, the Sauerbrey condition is only met if the analyte is firmly engulfed by surface pores of the sensitive layer. In contrast to this, non-Sauerbrey effects dominate (e.g. for yeasts adhered to flat surfaces) as long as the cells are free to move over the transducer. At lower microorganism concentrations a frequency increase is observed, whereas at higher concentrations aggregation leads to the opposite effect. Interdigital capacities (IDC) and surface plasmon resonators (SPR) show a different behaviour: the field lines between the finger electrodes of the IDC or the evanescent field of the SPR reach into the medium surrounding the device. Therefore, the analytes need not tightly adhere to the surface to yield coherent responses with these sensors.

  1. 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.

  2. Control and characterization of the metallic surface state of bulk insulating Bi2Se3

    NASA Astrophysics Data System (ADS)

    Fuhrer, Michael

    2015-03-01

    Bi2Se3 is a three dimensional strong topological insulator with a conducting two-dimensional surface state whose existence is guaranteed by topology. The bulk Bi2Se3 has a 300 meV bandgap, but is often a degenerately n-doped metal in as-grown material. I will discuss our efforts to remove this doping in thin crystals and films to achieve surface-dominated conduction. Electrochemical gating (using PEO+LiClO4 electrolyte) or molecular doping (using F4-TCNQ) is shown to effectively bring the Fermi energy of thin (3-20 nm) exfoliated Bi2Se3 crystals to the conduction band edge, where it can be further modulated at low temperature using field-effect gating. These techniques allowed us to reveal the gapless ambipolar transport in the topological surface, and measure the minimum conductivity, electron-acoustic phonon scattering, thermopower, and inter-surface coupling of the topological surfaces. Recently we have developed techniques to measure the transport properties of Bi2Se3 in situ during growth in ultra-high vacuum, enabling better understanding of the doping mechanisms. We have also studied vacuum-deposited MoO3 as a highly effective acceptor dopant which remains stable on air exposure for time scales of days. This work is supported by NSF Grants DMR-1105224, DMR-0520471, and DMR-0952716, and an ARC Laureate Fellowship.

  3. Bulk and surface characterization of In2O3(001) single crystal

    SciTech Connect

    Hagleitner, D.; Jacobson, Peter; Blomberg, Sara; Schulte, Karina; Lundgren, Edvin; Kubicek, Markus; Fleig, Jürgen; Kubel, Frank; Puls, Christoph; Limbeck, Andreas; Hutter, Herbert; Boatner, Lynn A; Schmid, M.; Diebold, U.

    2012-01-01

    A comprehensive bulk and surface investigation of high-quality In2O3(001) single crystals is reported. The transparent-yellow, cube-shaped single crystals were grown using the flux method. ICP-MS measurements reveal small residues of Pb, Mg and Pt in the crystals. Four-point-probe measurements show a resistivity of 2 0.5 105 cm, which translates into a carrier concentration of 1012 cm-3. The results from X-ray diffraction (XRD) measurements revise the lattice constant to 10.1150(5) from the previously accepted value of 10.117 . Scanning Tunneling Microscopy (STM) images of a reduced (sputtered/annealed) surface show a step height of 5 , which indicates a preference for one type of surface termination. A combination of low-energy ion scattering (LEIS) and atomically resolved STM indicates an indium-terminated surface with small islands of 2.5 height, which corresponds to a strongly distorted indium lattice. Scanning Tunneling Spectroscopy (STS) reveals a pronounced surface state at the Fermi Level (EF). Photoelectron Spectroscopy (PES) shows additional, deep-lying band gap states, which can be removed by exposure of the surface to activated oxygen. Oxidation also results in a shoulder at the O 1s core level at a higher binding energy, possibly indicative of a surface peroxide species. A downward band bending of 0.4 eV and an upward band bending of ~0.1 eV is observed for the reduced and oxidized surfaces, respectively.

  4. Hydrogen Doped Metal Oxide Semiconductors with Exceptional and Tunable Localized Surface Plasmon Resonances.

    PubMed

    Cheng, Hefeng; Wen, Meicheng; Ma, Xiangchao; Kuwahara, Yasutaka; Mori, Kohsuke; Dai, Ying; Huang, Baibiao; Yamashita, Hiromi

    2016-07-27

    Heavily doped semiconductors have recently emerged as a remarkable class of plasmonic alternative to conventional noble metals; however, controlled manipulation of their surface plasmon bands toward short wavelengths, especially in the visible light spectrum, still remains a challenge. Here we demonstrate that hydrogen doped given MoO3 and WO3 via a facile H-spillover approach, namely, hydrogen bronzes, exhibit strong localized surface plasmon resonances in the visible light region. Through variation of their stoichiometric compositions, tunable plasmon resonances could be observed in a wide range, which hinge upon the reduction temperatures, metal species, the nature and the size of metal oxide supports in the synthetic H2 reduction process as well as oxidation treatment in the postsynthetic process. Density functional theory calculations unravel that the intercalation of hydrogen atoms into the given host structures yields appreciable delocalized electrons, enabling their plasmonic properties. The plasmonic hybrids show potentials in heterogeneous catalysis, in which visible light irradiation enhanced catalytic performance toward p-nitrophenol reduction relative to dark condition. Our findings provide direct evidence for achieving plasmon resonances in hydrogen doped metal oxide semiconductors, and may allow large-scale applications with low-price and earth-abundant elements. PMID:27384437

  5. Relaxation dynamics of femtosecond-laser-induced temperature modulation on the surfaces of metals and semiconductors

    NASA Astrophysics Data System (ADS)

    Levy, Yoann; Derrien, Thibault J.-Y.; Bulgakova, Nadezhda M.; Gurevich, Evgeny L.; Mocek, Tomáš

    2016-06-01

    Formation of laser-induced periodic surface structures (LIPSS) is a complicated phenomenon which involves periodic spatial modulation of laser energy absorption on the irradiated surface, transient changes in optical response, surface layer melting and/or ablation. The listed processes strongly depend on laser fluence and pulse duration as well as on material properties. This paper is aimed at studying the spatiotemporal evolution of a periodic modulation of the deposited laser energy, once formed upon irradiation of metal (Ti) and semiconductor (Si) surfaces. Assuming that the incoming laser pulse interferes with a surface electromagnetic wave, the resulting sinusoidal modulation of the absorbed laser energy is introduced into a two-dimensional two-temperature model developed for titanium and silicon. Simulations reveal that the lattice temperature modulation on the surfaces of both materials following from the modulated absorption remains significant for longer than 50 ps after the laser pulse. In the cases considered here, the partially molten phase exists 10 ps in Ti and more than 50 ps in Si, suggesting that molten matter can be subjected to temperature-driven relocation toward LIPSS formation, due to the modulated temperature profile on the material surfaces. Molten phase at nanometric distances (nano-melting) is also revealed.

  6. Comparison of the bulk and surface properties of ceria and zirconia by ab initio investigations

    SciTech Connect

    Gennard, S.; Cora, F.; Catlow, C.R.A.

    1999-11-18

    Quantum mechanical (QM) calculations were made at a periodic Hartree-Fock (HF) level, on the bulk and surface properties of cubic CeO{sub 2} and ZrO{sub 2}. The authors have investigated the M-O bonding features, and established the high degree of ionicity of both materials, which is greater for CeO{sub 2} than ZrO{sub 2}. The calculated values for the C{sub 11}, C{sub 12}, and C{sub 44} elastic constants, are in close agreement with experiment; an extended oxygen basis set, containing d-orbital polarization functions, is essential to model accurately the symmetry lowering during the C{sub 44} distortion. In the surface studies, they have calculated the surface energies of the {l{underscore}brace}011{r{underscore}brace} and {l{underscore}brace}111{r{underscore}brace} faces of both ceria and zirconia. QM results are compared with interatomic potential-based (IP) methods to assess the accuracy of the latter. IP methods were found to provide a correct estimate of the surface relaxations and the correct order of stability of the two faces examined, with the energy difference between the {l{underscore}brace}011{r{underscore}brace} and the {l{underscore}brace}111{r{underscore}brace} surfaces being approximately 1 J/m{sup 2}, as in the QM study. However, IP methods do not always discriminate adequately between the properties of the two materials. Finally, geometric and electronic relaxations in the {l{underscore}brace}111{r{underscore}brace} surface are confined to the outermost oxygen ions, while in the {l{underscore}brace}011{r{underscore}brace} slabs they are more important and extend to the subsurface layers in a columnar way. The unsaturation of the surface ions in the {l{underscore}brace}011{r{underscore}brace} face may have important implications for the catalytic activity of the materials.

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

    DOE PAGESBeta

    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 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

  8. Use of scanning probe microscopies to study dopants at semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Nelson, Mark William

    Dopants, in semiconductors, are detected as either protrusions or depressions in scanning tunneling microscopy (STM) images. Measured dopant heights for layered semiconductors are considerably larger than for conventional semiconductors. This is interpreted as the influence of dopant induced electrostatic forces between the tip and the sample leading to a structural deformation of the surface around the dopant atoms. To investigate the influence of electrostatic forces, we performed STM measurements on p-type MoS2 at different bias voltages. The bias dependence of the STM images indicates the presence of electrostatic forces. Additional measurements with current imaging tunneling spectroscopy (CITS) show that changes in the density of states at dopant sites play only a minor role and cannot account for the large protrusions observed. Atomic force microscopy (AFM), with an applied D.C. voltage between the cantilever and sample, also confirms the role of electrostatic forces. Recently, we developed a new TappingmodeRTM AFM (TMAFM) based dopant profiling method based on an electrostatic mechanism similar to the STM imaging of dopants in layered semiconductors. TMAFM with an applied bias was used to spatially resolve areas of different doping type and density on silicon patterned via ion implantation. The application of a D.C. bias between the cantilever and sample during the measurement results in a Coulomb interaction between the tip and sample, whose magnitude depends on the spatial variation in the doping density. This effect was utilized to detect areas differing in doping by monitoring the phase angle between the drive frequency and cantilever response while scanning over areas of differing doping density. Measurements at various bias voltages are presented to demonstrate that the phase contrast observed between differently doped areas is directly connected to the bias induced surface potential (band bending) present on these areas. A quantitative investigation

  9. Sign inversion of surface stress-charge response of bulk nanoporous nickel actuators with different surface states.

    PubMed

    Bai, Qingguo; Si, Conghui; Zhang, Jie; Zhang, Zhonghua

    2016-07-20

    The surface stress-charge coefficient, ζ, is a fundamental material parameter and reflects the response of surface stress to the change of superficial charge. The sign and the quantity of ζ play a crucial role in electrochemically induced actuation of nanostructured metals. Here, for the first time, we address the electrochemical actuation and the associated stress-charge coefficients of bulk nanoporous nickel (np-Ni) in both strongly (NaOH) and weakly (NaF) adsorbed electrolytes. The results reveal a normal negative value of ζ for the np-Ni with the clean surface, and unusual positive values of ζ for the oxide-covered surface. Interestingly, the oxidized np-Ni cannot recover the conventional negative value of ζ even in the cathodic potential window. Moreover, the reversible strain amplitude and the involved charge are quite different in distinct potential windows (the same electrolyte) or in different electrolytes (strongly or weakly adsorbed). In addition, density functional theory (DFT) calculations have been performed to understand the electrochemical actuation behaviors of the np-Ni with different surface states. In some aspects, the scenario of the np-Ni indeed differs from that of nanoporous noble metals like Au or Pt. Our findings provide useful information on understanding the electrochemical actuation of nanostructured metals, and novel actuators or sensors could be developed based upon earth-abundant metals like Ni, Co, and so forth. PMID:27389658

  10. 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.

  11. 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.

  12. Noncollinear magnetization between surface and bulk Y3F e5O12

    NASA Astrophysics Data System (ADS)

    Wu, Po-Hsun; Huang, Ssu-Yen

    2016-07-01

    Yttrium iron garnet (YIG, Y3F e5O12 ) is a magnetic insulator that has been widely used to generate spin-wave spin current via the longitudinal spin Seebeck effect. Spin current can be converted to charge current by the inverse spin Hall effect (ISHE) in an attached metal layer with a spin direction given by the magnetization of the YIG. However, both the ISHE voltage from the thermal transport measurement and the magnetoresistance (MR) from the electrical transport measurement of the metal/YIG structure show a clear plateau behavior in the low-field range, which is inconsistent with the magnetization reversal behavior of the YIG slab. In this work, we provide direct evidences by using the highly sensitive micro-magneto-optic Kerr effect (micro-MOKE) measurement to demonstrate that the plateau behavior in the thermal and electrical transport measurement of metal/YIG is due to the noncollinear magnetization configuration between the bulk and surface of YIG. In addition, keeping the measured surface of YIG unaltered, we show that its surface magnetization can be systematically controlled by varying the thickness. We further demonstrate that the magnetic coupling between the surface magnetization of YIG and an attached ferromagnetic layer exhibits long-range interaction due to the magnetic dipole-dipole interaction.

  13. 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

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

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

    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.

  15. Spectral characteristics of multimode semiconductor lasers with a high-order surface diffraction grating

    SciTech Connect

    Zolotarev, V V; Leshko, A Yu; Pikhtin, N A; Lyutetskiy, A V; Slipchenko, S O; Bakhvalov, K V; Lubyanskiy, Ya V; Rastegaeva, M G; Tarasov, I S

    2014-10-31

    We have studied the spectral characteristics of multimode semiconductor lasers with high-order surface diffraction gratings based on asymmetric separate-confinement heterostructures grown by metalorganic vapour phase epitaxy (λ = 1070 nm). Experimental data demonstrate that, in the temperature range ±50 °C, the laser emission spectrum is ∼5 Å in width and contains a fine structure of longitudinal and transverse modes. A high-order (m = 15) surface diffraction grating is shown to ensure a temperature stability of the lasing spectrum dλ/dT = 0.9 Å K{sup -1} in this temperature range. From analysis of the fine structure of the lasing spectrum, we have evaluated the mode spacing and, thus, experimentally determined the effective length of the Bragg diffraction grating, which was ∼400 μm in our samples. (lasers)

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

    PubMed

    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

  17. PASSIVATION OF SEMICONDUCTOR SURFACES FOR IMPROVED RADIATION DETECTORS: X-RAY PHOTOEMISSION ANALYSIS

    SciTech Connect

    Nelson, A; Conway, A; Reinhardt, C; Ferreira, J; Nikolic, R; Payne, S

    2007-12-10

    Surface passivation of device-grade radiation detector materials was investigated using x-ray photoelectron spectroscopy in combination with transport property measurements before and after various chemical treatments. Specifically Br-MeOH (2% Br), KOH with NH{sub 4}F/H{sub 2}O{sub 2} and NH{sub 4}OH solutions were used to etch, reduce and oxidize the surface of Cd{sub (1-x)}Zn{sub x}Te semiconductor crystals. Scanning electron microscopy was used to evaluate the resultant microscopic surface morphology. Angle-resolved high-resolution photoemission measurements on the valence band electronic structure and core lines were used to evaluate the surface chemistry of the chemically treated surfaces. Metal overlayers were then deposited on these chemically treated surfaces and the I-V characteristics 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 Schottky barrier height for improved radiation detector devices.

  18. 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

  19. Bulk and Surface Chemistry Modification of Highly Porous Carbon for Supercapacitors

    NASA Astrophysics Data System (ADS)

    Candelaria, Stephanie L.

    Highly porous carbon prepared through sol-gel processing is an excellent electrode material for supercapacitors, also known as electrochemical capacitors, because of its high surface area and pore volume, good conductivity, and low cost. Research has mostly focused on increasing the surface area of the carbon to improve charge storage, but there are limits to how large this value can be while still maintaining good electrochemical performance of the material. Alternatively, carbon can be modified with foreign elements, either in the bulk or on the pore surfaces, to induce pseudocapacitive reactions that can increase capacitance. Modified samples can also be tested at higher working voltages, which significantly increase the energy and power densities. In this work, highly porous carbon is modified with nitrogen and tested as electrodes in supercapacitors. Modification significantly increases the wettability of the carbon, and the capacitance increases with increasing nitrogen added. However, too much nitrogen can cause pore blockage and decrease accessible surface area, limiting the capacitance. Highly porous carbon, both with and without nitrogen on the pore surfaces, is then tested at higher working voltages. Increasing the voltage from 2V to 3V significantly improves both the energy density and power density. Finally, porous carbon was also synthesized from lignin, a complex polymer derived from natural resources and a waste product in the paper industry. Purification removed over half of the impurities and resulted in porous carbon with four times the internal surface area compared to unpurified lignin. When tested in devices, lignin-derived carbon shows promise as low-cost, renewable material for high performance supercapacitors.

  20. Systematic study of transport via surface and bulk states in Bi2Te3 topological insulator

    NASA Astrophysics Data System (ADS)

    de Castro, S.; Peres, M. L.; Chitta, V. A.; Gratens, X.; Soares, D. A. W.; Fornari, C. I.; Rappl, P. H. O.; Abramof, E.; Oliveira, N. F., Jr.

    2016-07-01

    We performed magnetoresistance measurements on Bi2Te3 thin film in the temperature range of T = 1.2–4.0 K and for magnetic fields up to 2 T. The curves exhibited anomalous behavior for temperatures below 4.0 K. Different temperature intervals revealed electrical transport through different conductive channels with clear signatures of weak antilocalization. The magnetoresistance curves were explained using the Hikami–Larkin–Nagaoka model and the 2D Dirac modified model. The comparison between the parameters obtained from the two models revealed the transport via topological surface states and bulk states. In addition, a superconductive like transition is observed for the lowest temperatures and we suggest that this effect can be originated from the misfit dislocations caused by strain, giving rise to a superconductive channel between the interface of the film and the substrate.

  1. Bulk Fermi surface and electronic properties of Cu0.07Bi2Se3

    NASA Astrophysics Data System (ADS)

    Martin, C.; Craciun, V.; Miller, K. H.; Uzakbaiuly, B.; Buvaev, S.; Berger, H.; Hebard, A. F.; Tanner, D. B.

    2013-05-01

    The electronic properties of Cu0.07Bi2Se3 have been investigated using Shubnikov-de Haas and optical reflectance measurements. Quantum oscillations reveal a bulk, three-dimensional Fermi surface with anisotropy kFc/kFab≈ 2 and a modest increase in free-carrier concentration and in scattering rate with respect to the undoped Bi2Se3, also confirmed by reflectivity data. The effective mass is almost identical to that of Bi2Se3. Optical conductivity reveals a strong enhancement of the bound impurity bands with Cu addition, suggesting that a significant number of Cu atoms enter the interstitial sites between Bi and Se layers or may even substitute for Bi. This conclusion is also supported by x-ray diffraction measurements, where a significant increase of microstrain was found in Cu0.07Bi2Se3, compared to Bi2Se3.

  2. Modelling bulk surface resistance from MODIS time series data to estimate actual regional evapotranspiration

    NASA Astrophysics Data System (ADS)

    Autovino, Dario; Minacapilli, Mario; Provenzano, Giuseppe

    2015-04-01

    Estimation of actual evapotraspiration by means of Penman-Monteith (P-M) equation requires the knowledge of the so-called 'bulk surface resistance', rc,act, representing the vapour flow resistance through the transpiring crop and evaporating soil surface. The accurate parameterization of rc,act still represents an unexploited topic, especially in the case of heterogeneous land surface. In agro-hydrological applications, the P-M equation commonly used to evaluate reference evapotranspiration (ET0) of a well-watered 'standardized crop' (grass or alfalfa), generally assumes for the bulk surface resistance a value of 70 s m-1. Moreover, specific crop coefficients have to be used to estimate maximum and/or actual evapotranspiration based on ET0. In this paper, a simple procedure for the indirect estimation of rc,act as function of a vegetation index computed from remote acquisition of Land Surface Temperature (LST), is proposed. An application was carried out in an irrigation district located near Castelvetrano, in South-West of Sicily, mainly cultivated with olive groves, in which actual evapotranspiration fluxes were measured during two years (2010-2011) by an Eddy Covariance flux tower (EC). Evapotranspiration measurements allowed evaluating rc,actbased on the numerical inversion of the P-M equation. In the same study area, a large time series of MODIS LST data, characterized by a spatial resolution of 1x1 km and a time step of 8-days, was also acquired for the period from 2000 to 2014. A simple Vegetation Index Temperatures (VTI), with values ranging from 0 to 1, was computed using normalized LST values. Evapotranspiration fluxes measured in 2010 were used to calibrate the relationship between rc,act and VTI, whereas data from 2011 were used for its validation. The preliminary results evidenced that, for the considered crop, an almost constant value of rc,act, corresponding to about 250 s m-1, can be considered typical of periods in which the crop is well

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

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

    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 G0W0, GW0 to partially self-consistent sc-GW0, 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 GW0-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.

  4. 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.

  5. 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

    2014-01-01

    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. PMID:25255249

  6. The functionalization of metallic and semiconductor surfaces with organic and inorganic species

    NASA Astrophysics Data System (ADS)

    Schmeltzer, Jason M.

    The discipline of surface chemistry has rapidly expanded within recent years, attaining richness and diversity not unlike the more traditional divisions of organic, inorganic, physical, and biological chemistries. The boundless human drive to better understand the natural order as well as to better improve the existence of mankind has not ignored the physical, material, and chemical activities of interfaces, but rather the opposite. As computers shrink to ever-smaller sizes while growing in complexity---as devices and machines diminish to near-inconceivable dimensions---as the agents of technology miniaturize to comply with the endless demands of more-for-less---the chemistry of surfaces will continue to fulfill a crucial part in the advancement of new industries. This thesis details work into three realms of surface chemistry. Chapter One introduces porous silicon and presents a background of this unique, nanocrystalline substance. Described particularly is a new surface reaction to functionalize this material with organic groups; named carbocation-mediated hydrosilylation, this chemical treatment yields substrates derivatized with silicon-carbon bonds, the optimal surface group for imparting stability and functionality to the easily corroded, chemically limited material. Chapter Two discusses the electroless deposition of noble metal particles upon a number of metal and semiconductor surfaces. These reactions require neither external reducing agents nor electrical current to accomplish the formation of metal films, exciting and essential not merely from the fundamental perspectives of surface researches, but also from the aspects of fabricating micro- and nanoscale devices via controlled and patterned metallization reactions. Chapter Three returns to porous silicon and discusses attempts to covalently functionalize the material surface with thiolate-encapsulated gold nanoparticles; such surface-bound species may be useful for sensing, composite materials, and a

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

    DOE PAGESBeta

    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 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

  8. 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.

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

    PubMed

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

    2016-01-13

    Spin splitting of Rashba states in two-dimensional electron system provides a promising 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. PMID:26651374

  10. Physics and chemistry on well-defined semiconductor and oxide surfaces

    SciTech Connect

    Chen, Peijun

    1992-12-31

    High resolution electron energy loss spectroscopy (HREELS) and other surface spectroscopic techniques have been employed to investigate the following two classes of surface/interface phenomena on well-defined semiconductor and oxide surfaces: (i) the fundamental physical and chemical processes involved in gas-solid interaction on silicon single crystal surfaces, and (ii) the physical and chemical properties of metal-oxide interfaces. The particular systems reported in this dissertation are: NH{sub 3}, PH{sub 3} and B{sub 10}H{sub 14} on Si(111)-(7 x 7); NH{sub 3} on Si(100)-(2 x 1); atomic H on Si(111)-(7 x 7) and boron-modified Si(111); Al on Al{sub 2}O{sub 3} and Sn on SiO{sub 2}. On silicon surfaces, the surface dangling bonds function as the primary adsorption sites where surface chemical processes take place. The unambiguous identification of surface species by vibrational spectroscopy allow the elementary steps involved in these surface chemical processes to be followed on a molecular level. For adsorbate such as NH{sub 3} and PH{sub 3}, the nature of the initial low temperature (100-300 K) adsorption is found to be dissociative, while that for B{sub 10}H{sub 14} is non-dissociative. This has been deduced based upon the presence (or absence) of specific characteristic vibrational mode(s) on surface. By following the evolution of surface species as a function of temperature, the elementary steps leading to silicon nitride thin film growth and doping of silicon are elucidated. In the case of NH{sub 3} on Si(111)-(7 x7) and Si(100)-(2 x 1), a detailed understanding on the role of substrate surface structure is controlling the surface reactivity has been gained on the basis of a Si adatom backbond-strain relief mechanism on the Si(111)-(7 x 7). The electronic modification to Si(111) surface by subsurface boron doping has been shown to quench its surface chemistry, even for the most aggressive atomic H.

  11. 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.

  12. Semiconductor Surface Structure Determination via Low Energy Positron Diffraction: Cleavage Faces of Cadmium-Selenide

    NASA Astrophysics Data System (ADS)

    Horsky, Thomas Neil

    Low energy positron diffraction (LEPD) is used to determine the surface structure of the wurtzite CdSe(1010) and CdSe(1120) cleavage faces. Low energy electron diffraction (LEED) is also performed, utilizing a beam optical system which produces both a e^+ and e ^- beam with the same phase-space characteristics, i.e. 1 mm-deg. Both e^+ and e^- measurements were collected from the same sample surface of each cleavage face, removing systematic errors from the comparison. Dynamical calculations were performed for both the LEPD and LEED using the R-factor methodology of Duke et al. For the (1010) surface, the calculations and analyses were performed at Brandeis via link to the John Von Neumann Supercomputer Center at Princeton, NJ. For the (1120) surface, the LEPD calculations and analysis was performed by Battelle Pacific Northwest Laboratories, while the LEED calculations were performed by Princeton University. Resulting surface structures for CdSe(1010) are in accord with the proposed reconstruction model of Wang and Duke, indicating a bond-length-conserving rotation of the surface dimer. The best-fit values of the bond-rotation angle omega are 15^circ +/- 5^circ as determined by LEPD and omega = 21.5^ circ +/- 4^ circ as determined by LEED. These values are in agreement with the predicted value of omega = 17^circ. For CdSe(1120), the best-fit LEPD results indicate an omega of 27^circ +/- 7^circ while preliminary LEED results indicate an omega of 35^circ +/- 5^circ. Both values for this previously undetermined surface are also in agreement with the theoretically predicted value of omega = 32^circ . These results serve to confirm a universal model of reconstruction which describes the surface structures of both the zincblende and wurtzite compound semiconductor cleavage faces.

  13. 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. PMID:23768256

  14. Optimizing electrically pumped vertical extended cavity surface emitting semiconductor lasers (E-VECSELs)

    NASA Astrophysics Data System (ADS)

    McInerney, John G.; Mooradian, Aram

    2011-03-01

    The future evolution of photonics, for a wide spectrum of applications ranging from established optical telecommunications to emerging opportunities such as biotechnology, reprographics and projection displays, will depend on availability of compact, rugged, efficient and inexpensive lasers which deliver high power, good beam quality, excellent wavelength stability, low noise and long lifetime in the near infrared and visible regions. This combination is not readily available from either of the traditional classes of semiconductor laser, edge-emitters and vertical cavity surface emitters (VCSELs). Here we describe a novel class of laser based on geometry similar to VCSELs but controlled by an extended coupled cavity. These devices are scalable to high powers while maintaining fundamental spatial mode performance, a feature that is essential to efficient coupling into a single mode optical fibre or waveguide, or long range propagation in free space. They are also ideally suited to mode locking, gain-switching and intracavity frequency conversion, among other applications.

  15. Tunable surface plasmon polaritons in metal-strip waveguides with magnetized semiconductor substrates in Voigt configuration

    NASA Astrophysics Data System (ADS)

    Mathew, Gishamol; Mathew, Vincent

    2012-05-01

    The properties of surface plasmon polaritons (SPPs) in a magnetically tunable strip waveguide geometry comprising of a metal film of finite width deposited on a magnetized semiconductor and covered by an isotropic dielectric material were studied in Voigt configuration. The method of lines was used to compute the dispersion relation of fundamental modes, and the dependence of the propagation constant on metal film dimensions, material parameters and biasing magnetic field was considered. The bounded SPPs are nonreciprocal with respect to the direction of the biasing magnetic field, producing a nonreciprocal phase shift of the order of 2-18 rad mm-1 at a wavelength of excitation 1.55 μm. Moreover, controlled propagation of SPP modes and their effective tuning are possible in this strip geometry, which enables the design and development of tunable optoelectronic devices.

  16. Interfacial thermal conductance across metal-insulator/semiconductor interfaces due to surface states

    NASA Astrophysics Data System (ADS)

    Lu, Tingyu; Zhou, Jun; Nakayama, Tsuneyoshi; Yang, Ronggui; Li, Baowen

    2016-02-01

    We point out that the effective channel for the interfacial thermal conductance, the inverse of Kapitza resistance, of metal-insulator/semiconductor interfaces is governed by the electron-phonon interaction mediated by the surface states allowed in a thin region near the interface. Our detailed calculations demonstrate that the interfacial thermal conductance across Pb/Pt/Al/Au-diamond interfaces are only slightly different among these metals, and reproduce well the experimental results of the interfacial thermal conductance across metal-diamond interfaces observed by Stoner et al. [Phys. Rev. Lett. 68, 1563 (1992), 10.1103/PhysRevLett.68.1563] and most recently by Hohensee et al. [Nat. Commun. 6, 6578 (2015), 10.1038/ncomms7578].

  17. Surface and bulk uptake of H2O2 to snow: Insights from laboratory studies

    NASA Astrophysics Data System (ADS)

    Bartels-Rausch, Thorsten; Ulrich, Thomas; Ammann, Markus

    2014-05-01

    The trace gas hydrogen peroxide (H2O2) is chemical vey reactive in the atmosphere and in the cryosphere. Its gas-phase concentration may significantly determine OH and O3 levels, and thus the oxidative capacity of the atmosphere. In snow, H2O2 can drive oxidation of impurities and also a vivid photochemistry is observed. It is further the only major atmospheric oxidant that is directly taken up by snow. Snow might thus be an important reservoir for atmospheric H2O2 and reconstructions of its atmospheric concentration from ice core records might deliver crucial information about past atmosphere. Because H2O2 readily exchanges with between the ice and the gas phase, the transfer function of H2O2 between snow and the atmosphere is crucial to understand and predict the large-scale importance of its chemistry in snow, its exchange with the atmosphere, and its fate in ice-cores. Characterizing the physical exchange of H2O2 between the snow grains and the surrounding air has consequently received much attention in laboratory studies. In one type of studies that focused on short time scales, a detailed description of the adsorption equilibrium between the gas phase and ice was derived. These studies, done on very thin ice films, indicate that H2O2 exclusively adsorbs to the surface. Earlier studies with packed snow samples, published 30 years ago, have shown a different picture of the H2O2 interaction with snow, where surface adsorption and accommodation into the bulk ice governed the overall uptake in long-lasting experiments. The situation where uptake of a trace gas to snow can be driven by several processes with different time scales is typical for the interaction of a number of trace gases with snow. Describing both processes in detail is thus a key-issue in current research. Generally, the uptake occurring on short time scales in thought to be caused by surface adsorption; slow transfer behaviour is related to uptake to the bulk. As H2O2 is not soluble in solid ice

  18. Surface Zone Articular Chondrocytes Modulate the Bulk and Surface Mechanical Properties of the Tissue-Engineered Cartilage

    PubMed Central

    Peng, Gordon; McNary, Sean M.; Athanasiou, Kyriacos A.

    2014-01-01

    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

  19. Bulk, surface, and blood-contacting properties of polyetherurethanes modified with polyethylene oxide.

    PubMed

    Okkema, A Z; Grasel, T G; Zdrahala, R J; Solomon, D D; Cooper, S L

    1989-01-01

    The bulk, surface, and blood-contacting properties of a series of polyether polyurethanes based on polyethylene oxide (PEO) (MW = 1450), polytetramethylene oxide (PTMO) (MW = 1000), and mixed PEO/PTMO soft segments were evaluated. The effect of varying the weight percentage of PEO, and thus the overall polarity of the mixed soft segment phase, was investigated. Two polymer blends prepared from a PTMO-based and a PEO-based polyurethane were also studied. Differential scanning calorimetry (DSC) and dynamic mechanical analysis indicated that the polyurethanes based on either the PEO or the PTMO soft segments are relatively phase mixed. The degree of phase mixing in the polymers increased with increasing weight fraction of PEO. As expected, water absorption and the hydrophilicity of the polymer increased with increasing PEO soft segment content. In vacuum, the PEO-rich polymers have a lower concentration of soft segment at the surface, possibly due to the migration of the polar PEO segments away from the polymer/vacuum interface. The blood-contacting results indicated that the higher PEO-containing polymers were more thrombogenic than the pure PTMO-based polyurethane. A threshold concentration of PEO in the polyurethane appeared to be required before the blood-contacting properties were significantly affected. PMID:2488846

  20. Surface and bulk properties of chromium oxide: Implications for reduction by methane

    NASA Astrophysics Data System (ADS)

    Skjelbred, Kristin M.; Åstrand, Per-Olof; Støvneng, Jon Andreas; Andersson, Stefan

    2015-12-01

    A computational method for Cr2O3 and Cr3C2 has been established based on a systematic investigation of functionals, basis sets and corrections for dispersion, self-interaction and relativistic effects. The suggested method comprises of the PBE functional with Grimme's dispersion correction, the TZ2P basis set with a frozen core of up to 2p for chromium and 1s for oxygen and carbon, and with the zeroth-order regular approximation for relativistic effects, and is in good agreement with experimental results for both bulk crystals and surface structures. Self-interactions have been corrected for by the DFT+U approach, but it still gives band gaps significantly different from the experimental band gap. We have also calculated the adsorption energy of methane on a chromium terminated (0001) Cr2O3 surface, and the significance of dispersion and self-interaction corrections for the adsorption of methane on Cr2O3 was found to be substantial.

  1. Heat transfer to and from vegetated surfaces - An analytical method for the bulk exchange coefficients

    NASA Technical Reports Server (NTRS)

    Massman, William J.

    1987-01-01

    The semianalytical model outlined in a previous study (Massman, 1987) to describe momentum exchange between the atmosphere and vegetated surfaces is extended to include the exchange of heat. The methods employed are based on one-dimensional turbulent diffusivities, and use analytical solutions to the steady-state diffusion equation. The model is used to assess the influence that the canopy foliage structure and density, the wind profile structure within the canopy, and the shelter factor can have upon the inverse surface Stanton number (kB exp -1), as well as to explore the consequences of introducing a scalar displacement height which can be different from the momentum displacement height. In general, the triangular foliage area density function gives results which agree more closely with observations than that for constant foliage area density. The intended application of this work is for parameterizing the bulk aerodynamic resistances for heat and momentum exchange for use within large-scale models of plant-atmosphere exchanges.

  2. 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

  3. Alignment of a model amyloid Peptide fragment in bulk and at a solid surface.

    PubMed

    Hamley, Ian W; Castelletto, Valeria; Moulton, Claire M; Rodríguez-Pérez, José; Squires, Adam M; Eralp, Tugce; Held, Georg; Hicks, Matthew R; Rodger, Alison

    2010-06-24

    The alignment of model amyloid peptide YYKLVFFC is investigated in bulk and at a solid surface using a range of spectroscopic methods employing polarized radiation. The peptide is based on a core sequence of the amyloid beta (Abeta) peptide, KLVFF. The attached tyrosine and cysteine units are exploited to yield information on alignment and possible formation of disulfide or dityrosine links. Polarized Raman spectroscopy on aligned stalks provides information on tyrosine orientation, which complements data from linear dichroism (LD) on aqueous solutions subjected to shear in a Couette cell. LD provides a detailed picture of alignment of peptide strands and aromatic residues and was also used to probe the kinetics of self-assembly. This suggests initial association of phenylalanine residues, followed by subsequent registry of strands and orientation of tyrosine residues. X-ray diffraction (XRD) data from aligned stalks is used to extract orientational order parameters from the 0.48 nm reflection in the cross-beta pattern, from which an orientational distribution function is obtained. X-ray diffraction on solutions subject to capillary flow confirmed orientation in situ at the level of the cross-beta pattern. The information on fibril and tyrosine orientation from polarized Raman spectroscopy is compared with results from NEXAFS experiments on samples prepared as films on silicon. This indicates fibrils are aligned parallel to the surface, with phenyl ring normals perpendicular to the surface. Possible disulfide bridging leading to peptide dimer formation was excluded by Raman spectroscopy, whereas dityrosine formation was probed by fluorescence experiments and was found not to occur except under alkaline conditions. Congo red binding was found not to influence the cross-beta XRD pattern. PMID:20509614

  4. 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.

  5. 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.

  6. Effect of interface and bulk traps on the C–V characterization of a LPCVD-SiNx/AlGaN/GaN metal-insulator-semiconductor structure

    NASA Astrophysics Data System (ADS)

    Bao, Qilong; Huang, Sen; Wang, Xinhua; Wei, Ke; Zheng, Yingkui; Li, Yankui; Yang, Chengyue; Jiang, Haojie; Li, Junfeng; Hu, Anqi; Yang, Xuelin; Shen, Bo; Liu, Xinyu; Zhao, Chao

    2016-06-01

    Silicon nitride (SiNx) film grown by low-pressure chemical vapor deposition (LPCVD) is utilized as a gate dielectric for AlGaN/GaN metal-insulator-semiconductor high-electron-mobility transistors (MIS-HEMTs). Trap distribution at the gate-dielectric/III-nitrides interface is characterized by a temperature-dependent ac-capacitance technique. The extracted interface state density D it decreases from 2.92 × 1013 to 1.59 × 1012 cm‑2 eV‑1 as the energy level depth (E C-E T) increases from 0.29 to 0.50 eV, and then levels off to E C-E T = 0.80 eV. Capacitance-mode deep level transient spectroscopy (C-DLTS) and energy band diagram simulations reveal that deep levels with E C-E T > 0. 83 eV are responsible for the dispersion of capacitances at high temperature (>125 °C) and low frequencies (<1 kHz). A high-resolution transmission electron microscope (TEM) reveals that re-oxidation of the RCA-treated AlGaN barrier surface may be responsible for the relatively high density of shallow states at the LPCVD-SiNx/III-nitride interface.

  7. 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. PMID:23331503

  8. Solution-Processable Low-Molecular Weight Extended Arylacetylenes: Versatile p-Type Semiconductors for Field-Effect Transistors and Bulk Heterojunction Solar Cells

    SciTech Connect

    Silvestri, Fabio; Marrocchi, Assunta; Seri, Mirko; Kim, Choongik; Marks, Tobin J.; Facchetti, Antonio; Taticchi, Aldo

    2010-04-08

    We report the synthesis and characterization of a series of five extended arylacetylenes, 9,10-bis-{[m,p-bis(hexyloxy)phenyl]ethynyl}-anthracene (A-P6t, 1), 9,10-bis-[(p-{[m,p-bis(hexyloxy) phenyl]ethynyl}phenyl)ethynyl]-anthracene (PA-P6t, 2), 4,7-bis-{[m,p-bis(hexyloxy)phenyl]ethynyl}-2,1,3-benzothiadiazole (BTZ-P6t, 5), 4,7-bis(5-{[m,p-bis(hexyloxy)phenyl]ethynyl}thien-2-yl)-2,1,3-benzothiadiazole (TBTZ-P6t, 6), and 7,7'-({[m,p-bis(hexyloxy)phenyl]ethynyl}-2,1,3-benzothiadiazol-4,4'-ethynyl)-2,5-thiophene (BTZT-P6t, 7), and two arylvinylenes, 9,10-bis-{(E)-[m,p-bis(hexyloxy)phenyl]vinyl}-anthracene (A-P6d, 3), 9,10-bis-[(E)-(p-{(E)-[m,p-bis(hexyloxy)phenyl]vinyl}phenyl)vinyl]-anthracene (PA-P6d, 4). Trends in optical absorption spectra and electrochemical redox processes are first described. Next, the thin-film microstructures and morphologies of films deposited from solution under various conditions are investigated, and organic field-effect transistors (OFETs) and bulk heterojunction photovoltaic (OPV) cells fabricated. We find that substituting acetylenic for olefinic linkers on the molecular cores significantly enhances device performance. OFET measurements reveal that all seven of the semiconductors are FET-active and, depending on the backbone architecture, the arylacetylenes exhibit good p-type mobilities (μ up to ~0.1 cm2 V-1 s-1) when optimum film microstructural order is achieved. OPV cells using [6,6]-phenyl C61-butyric acid methyl ester (PCBM) as the electron acceptor exhibit power conversion efficiencies (PCEs) up to 1.3% under a simulated AM 1.5 solar irradiation of 100 mW/cm2. These results demonstrate that arylacetylenes are promising hole-transport materials for p-channel OFETs and promising donors for organic solar cells applications. A direct correlation between OFET arylacetylene hole mobility and OPV performance is identified and analyzed.

  9. Surface science studies of thermal- and electron-induced reactions on metal and semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Tsai, Yi-Li

    The chemisorption of alkenes (ethylene, propylene, and butylene isomers) was systematically investigated on Pt(111) and the (2x2)Sn/Pt(111) and (sqrt3 xsqrt3)R30sp°Sn/Pt(111) surface alloys using temperature programmed desorption (TPD), Auger electron spectroscopy (AES) and low energy electron diffraction (LEED). Alloying Sn with Pt decreases the adsorption bond strength and decomposition of alkenes. Sn site-blocking within the alloy layer may play a key role in the chemistry of these surface alloys. The importance of pure Pt 3-fold sites and adjacent pure Pt 3-fold sites was proposed. Electrons for electron-induced dissociation (EID) of cycloalkane (C5-C8) multilayers was used to prepare monolayer coverages of adsorbed cycloalkyl intermediates on Pt(111) and two Sn/Pt(111) surface alloys. The subsequent thermal reaction products of these cycloalkyls include benzene and various cycloalkenes. We observed a high selectivity for desorption of these products on the Pt-Sn alloys. TPD results allowed us to conclude that the dominant mechanism for the formation of these surface alkyl groups is for the hydrocarbon fragment from EID to diffuse to the metal surface. The adsorption and desorption of several N-containing molecules for the growth of GaN, i.e., NHsb3, monomethylamine (MMA), dimethylamine (DMA) and trimethylamine (TMA), were investigated on the GaAs(100)-(4x6) surface under UHV conditions. TPD and AES results indicate essentially reversible adsorption for all and no GaN is formed by thermal activation. The desorption activation energies, and adsorption energies, are 19, 22, 24 and 23.5 kcal/mol for NHsb3, MMA, DMA and TMA, respectively. These similar energies indicate that all of these precursors chemisorbed via a weak dative bond between the N lone pair and an empty orbital on Ga sites. EID of MMA was also explored briefly. Low energy electrons (50 eV, 1 ×10sp{15}electrons/cmsp2) dissociate MMA, giving a large yield of Hsb2\\ and\\ NHsb3 desorption, but little

  10. Novel cavities and functionality in high-power highbrightness semiconductor vertical external cavity surface emitting lasers

    NASA Astrophysics Data System (ADS)

    Hessenius, Chris

    Ever since the first laser demonstration in 1960, applications for laser systems have increased to include diverse fields such as: national defense, biology and medicine, entertainment, imaging, and communications. In order to serve the growing demand, a wide range of laser types including solid-state, semiconductor, gas, and dye lasers have been developed. For most applications it is critical to have lasers with both high optical power and excellent beam quality. This has traditionally been difficult to simultaneously achieve in semiconductor lasers. In the mid 1990's, the advent of an optically pumped semiconductor vertical-external-cavity surface-emitting laser (VECSEL) led to the demonstration of high (multi-watt) output power with near diffraction limited (TEM00) beam quality. Since that time VECSELs covering large wavelength regions have been developed. It is the objective of this dissertation to investigate and explore novel cavity designs which can lead to increased functionality in high power, high brightness VECSELs. Optically pumped VECSELs have previously demonstrated their potential for high power, high brightness operation. In addition, the "open" cavity design of this type of laser makes intracavity nonlinear frequency conversion, linewidth narrowing, and spectral tuning very efficient. By altering the external cavity design it is possible to add additional functionality to this already flexible design. In this dissertation, the history, theory, design, and fabrication are first presented as VECSEL performance relies heavily on the design and fabrication of the chip. Basic cavities such as the linear cavity and v-shaped cavity will be discussed, including the role they play in wavelength tuning, transverse mode profile, and mode stability. The development of a VECSEL for use as a sodium guide star laser is presented including the theory and simulation of intracavity frequency generation in a modified v-cavity. The results show agreement with theory

  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. From bulk to plasmonic nanoparticle surfaces: the behavior of two potent therapeutic peptides, octreotide and pasireotide.

    PubMed

    Hernández, Belén; López-Tobar, Eduardo; Sanchez-Cortes, Santiago; Coïc, Yves-Marie; Baron, Bruno; Chenal, Alexandre; Kruglik, Sergei G; Pflüger, Fernando; Cohen, Régis; Ghomi, Mahmoud

    2016-09-21

    Octreotide and pasireotide are two cyclic somatostatin analogues with an important clinical use in the treatment and diagnosis of neuroendocrine tumors. Herein, by the combined use of several techniques (UV-visible absorption, fluorescence, circular dichroism, ζ-potential, transmission electron microscopy, Raman scattering, surface-enhanced Raman scattering, and quantum mechanical calculations) we have followed the structural dynamics of these analogues in the bulk, as well as their binding sites on plasmonic (gold and silver) colloids. In contrast to the previously derived conclusions, the two peptides seem to possess completely different conformational features. Octreotide, a cyclic octapeptide, is formed by a moderately flexible type-II'β-turn maintained by a deformable disulfide linkage. Pasireotide, in which the cyclic character is made possible by peptide bonds, manifests a rigid backbone formed by two oppositely placed tight turns of different types, i.e.γ-turn and type-I β-turn. Owing to their cationic character, both analogues induce aggregation of negatively charged gold and silver colloids. Nevertheless, despite their notable structural differences, both peptides bind onto gold nanoparticles through their unique d-Trp residue. In contrast, their binding to silver colloids seems to be of electrostatic nature, as formed through monodentate or bidentate ionic pairs. PMID:27537101

  13. Fast inspection of bulk and surface defects of large aperture optics in high power lasers

    NASA Astrophysics Data System (ADS)

    Zhao, Yuan'an; Hu, Guohang; Liu, Shijie; Yi, Kui; Shao, Jianda

    2015-05-01

    Laser induced damage for nanosecond pulse duration is attributed to the existence of defects. The growth and polishing, as well as coating deposition, may induce versatile kinds of defects, including dig, scratch and inclusion. It is special important to get the information of the defects, such as size and location, which is the basis to know the origin of the defects and figures out effective techniques to eliminate it. It is quite easy to get the information of the defects with micron-level resolution, but it is time-consuming and is not suitable for fast inspection of the large aperture (hundreds of millimeters). In this work, on-the-fly image capture technique was employed to realize fast inspection of large aperture optics. A continuous green laser was employed as illumination source to enhance and enlarge the image of bulk defects. So it could detect the submicron-scale defects. A transmission microscopy with white light illumination was employed to detect the surface defect. Its field of view was about 2.8mm×1.6mm. The sample was raster scanned driving by a stepper motor through the stationary illumination laser and digital camera, and the speed to scan the sample was about 10mm/s. The results of large aperture optics proved the functions of this fast inspection technique.

  14. 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.

  15. Oxidized In-containing III-V(100) surfaces: Formation of crystalline oxide films and semiconductor-oxide interfaces

    NASA Astrophysics Data System (ADS)

    Punkkinen, M. P. J.; Laukkanen, P.; Lång, J.; Kuzmin, M.; Tuominen, M.; Tuominen, V.; Dahl, J.; Pessa, M.; Guina, M.; Kokko, K.; Sadowski, J.; Johansson, B.; Väyrynen, I. J.; Vitos, L.

    2011-05-01

    Previously found oxidized III-V semiconductor surfaces have been generally structurally disordered and useless for applications. We disclose a family of well-ordered oxidized InAs, InGaAs, InP, and InSb surfaces found by experiments. The found epitaxial oxide-III-V interface is insulating and free of defects related to the harmful Fermi-level pinning, which opens up new possibilities to develop long-sought III-V metal-oxide-semiconductor transistors. Calculations reveal that the early stages in the oxidation process include only O-III bonds due to the geometry of the III-V(100)c(8×2) substrate, which is responsible for the formation of the ordered interface. The found surfaces provide a different platform to study the oxidation and properties of oxides, e.g., the origins of the photoemission shifts and electronic structures, using surface science methods.

  16. First-principles study of the surface energy and work function of III-V semiconductor compounds

    NASA Astrophysics Data System (ADS)

    Liu, W.; Zheng, W. T.; Jiang, Q.

    2007-06-01

    Surface energy and work function of 12 III-V semiconductors, AlP, AlAs, AlSb, AlBi, GaP, GaAs, GaSb, GaBi, InP, InAs, InSb, and InBi, on (110) surfaces are calculated using ab initio density functional theory. The obtained values are proportional to the corresponding cohesive energy and are in good agreement with available experimental data and theoretical models. The linear relationship among cohesive energy, surface energy, and work function is interpreted by analyzing their electronic properties where four (110) surfaces of Al series semiconductors, AlP, AlAs, AlSb, and AlBi, are taken as examples.

  17. Photoemission study of ternary to penternary Fe-based metallic glasses: Chemical analysis of surface and bulk

    NASA Astrophysics Data System (ADS)

    Büttner, M.; Wang, H.-J.; Dongare, A. M.; Shiflet, G. J.; Reinke, P.; Oelhafen, P.; Mun, B. S.; Gu, X. J.; Poon, S. J.

    2007-08-01

    Bulk metallic glasses consisting of Fe, Mo, Cr, C, B, and Er have been investigated by x-ray photoelectron spectroscopy, aimed to elucidate the local atomic structure of the amorphous phase. In order to examine the electronic properties of this class of material, photon energy dependent measurements in combination with argon-ion irradiation were employed to identify and separate surface and bulk contributions to the spectra. The core levels suggest the presence of a carbon-rich surface layer with oxidized boron and metals, and metal carbides and borides in the bulk. Exposure to molecular oxygen and annealing experiments probe the chemical reactivity of the material. Formation of boron oxides at comparably low temperatures (300°C) might have consequences for the stability of the amorphous phase. We observe variations in binding energy of the Fe 3p core level with respect to the alloy composition, which indicate changes in the chemical state of iron.

  18. 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..., 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...

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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. PMID:25681929

  4. 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

    2012-01-01

    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. PMID:22805559

  5. 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

  6. 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.

  7. Doping semiconductor nanocrystals.

    PubMed

    Erwin, Steven C; Zu, Lijun; Haftel, Michael I; Efros, Alexander L; Kennedy, Thomas A; Norris, David J

    2005-07-01

    Doping--the intentional introduction of impurities into a material--is fundamental to controlling the properties of bulk semiconductors. This has stimulated similar efforts to dope semiconductor nanocrystals. Despite some successes, many of these efforts have failed, for reasons that remain unclear. For example, Mn can be incorporated into nanocrystals of CdS and ZnSe (refs 7-9), but not into CdSe (ref. 12)--despite comparable bulk solubilities of near 50 per cent. These difficulties, which have hindered development of new nanocrystalline materials, are often attributed to 'self-purification', an allegedly intrinsic mechanism whereby impurities are expelled. Here we show instead that the underlying mechanism that controls doping is the initial adsorption of impurities on the nanocrystal surface during growth. We find that adsorption--and therefore doping efficiency--is determined by three main factors: surface morphology, nanocrystal shape, and surfactants in the growth solution. Calculated Mn adsorption energies and equilibrium shapes for several nanocrystals lead to specific doping predictions. These are confirmed by measuring how the Mn concentration in ZnSe varies with nanocrystal size and shape. Finally, we use our predictions to incorporate Mn into previously undopable CdSe nanocrystals. This success establishes that earlier difficulties with doping are not intrinsic, and suggests that a variety of doped nanocrystals--for applications from solar cells to spintronics--can be anticipated. PMID:16001066

  8. Improvement of photoelectrochemical hydrogen generation by surface modification of p-type silicon semiconductor photocathodes

    SciTech Connect

    Dominey, R.N.; Lewis, N.S.; Bruce, J.A.; Bookbinder, D.C.; Wrighton, M.S.

    1982-01-27

    The improvement of H/sub 2/ evolution from two different types of catalytic p-type photocathode surfaces has been examined. p-Type Si has been platinized by phtotelectrochemically plating Pt(0) onto the Si surface. Such a photocathode shows significant improvement (compared to naked p-type Si) for photochemical H/sub 2/ evolution with respect to output photovoltage, fill factor, and overall efficiency. Such photocathodes having an optimun amount of Pt(0) give a pH-dependent output voltage with respect to the H/sub 2/O/H/sub 2/ couple, but the dependence is not a simple 59-mV/pH dependence. No pH dependence would be expected if Pt(0) formed a Schottky barrier when plated onto p-type Si. A second kind of H/sub 2/ evolution catalyst has been confined to the surface of p-type Si. Polymeric quantities of an electroactive N,N'-dialkyl-4,4'-bipridinium reagent, (PQ/sup 2 +/.)/sub n/, have been confined to the surface. The Br/sup -/ counterions of the polymer are then exchanged by PtCl/sub 6//sup 2 -/. Photoreduction then yields Pt(0) dispersed in the polymer. Such a surface is again significantly improved compared to naked p-type Si with respect to H/sub 2/ evolution. A comparison of the naked p-Si, the simply platinized, and the (PQ/sup 2 +//sup ///sup +//sub n/.nPt(0))/sub surf./ system is made and contrasted to the expected behavior of an external Schottky barrier photocell driving an electrolysis cell with a Pt cathode. Experiments with n-type MoS/sub 2/, n-type Si, Pt, Au, and W cathodes functionalized with the (PQ/sup 2 +//sup ///sup +/.)sub n/.nPt(0))/sub surf./ system compared to the same surface directly platinized confirm an important difference in the mechanism of H/sub 2/ evolution catalysis for the two surface catalyst systems. p-Type Si modified with optimum amounts of Pt(0) by direct platinization appears to give improved H/sub 2/ evolution efficiency by a mechanism where the Pt(0) serves as a catalyst that does not alter the interface energetics of the

  9. 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.

  10. Effects of sterilization treatments on bulk and surface properties of nanocomposite biomaterials.

    PubMed

    Ahmed, Maqsood; Punshon, Geoffrey; Darbyshire, Arnold; Seifalian, Alexander M

    2013-10-01

    With the continuous and expanding use of implantable biomaterials in a clinical setting, this study aims to elucidate the influence of sterilization techniques on the material surface and bulk properties of two polyurethane nanocomposite biomaterials. Both solid samples and porous membranes of nondegradable polyhedral oligomeric silsesquioxane poly(carbonate-urea) urethane (POSS-PCU) and a biodegradable poly(caprolactone-urea) urethane (POSS-PCL) were examined. Sterilization techniques included conventional steam sterilization (autoclaving), gamma irradiation, and disinfection via incubating with ethanol (EtOH) for 10 min or 24 h. After treatment, the samples were examined using gel permeation chromatography (GPC), attenuated total reflectance Fourier transform infrared spectroscopy, and tensiometry. Cytotoxicity was evaluated through the culture of endothelial progenitor cells and the efficacy of sterilization method was determined by incubating each sample in tryptone soya broth and fluid thioglycollate medium for cultivation of microorganisms. Although EtOH did not affect the material properties in any form, the samples were found to be nonsterile with microbial growth detected on each of the samples. Gamma irradiation was not only effective in sterilizing both POSS-PCU and POSS-PCL but also led to minor material degradation and displayed a cytotoxic effect on the cultured cells. Autoclaving was found to be the optimal sterilization technique for both solid and porous membranes of the nondegradable POSS-PCU samples as it was successful in sterilizing the samples, displayed no cytotoxic side effects and did not degrade the material. However, the biodegradable POSS-PCL was not able to withstand the harsh environment during autoclaving, resulting in it losing all structural integrity. PMID:24039066

  11. Effects of sterilization treatments on bulk and surface properties of nanocomposite biomaterials

    PubMed Central

    Ahmed, Maqsood; Punshon, Geoffrey; Darbyshire, Arnold; Seifalian, Alexander M

    2013-01-01

    With the continuous and expanding use of implantable biomaterials in a clinical setting, this study aims to elucidate the influence of sterilization techniques on the material surface and bulk properties of two polyurethane nanocomposite biomaterials. Both solid samples and porous membranes of nondegradable polyhedral oligomeric silsesquioxane poly(carbonate-urea) urethane (POSS-PCU) and a biodegradable poly(caprolactone-urea) urethane (POSS-PCL) were examined. Sterilization techniques included conventional steam sterilization (autoclaving), gamma irradiation, and disinfection via incubating with ethanol (EtOH) for 10 min or 24 h. After treatment, the samples were examined using gel permeation chromatography (GPC), attenuated total reflectance Fourier transform infrared spectroscopy, and tensiometry. Cytotoxicity was evaluated through the culture of endothelial progenitor cells and the efficacy of sterilization method was determined by incubating each sample in tryptone soya broth and fluid thioglycollate medium for cultivation of microorganisms. Although EtOH did not affect the material properties in any form, the samples were found to be nonsterile with microbial growth detected on each of the samples. Gamma irradiation was not only effective in sterilizing both POSS-PCU and POSS-PCL but also led to minor material degradation and displayed a cytotoxic effect on the cultured cells. Autoclaving was found to be the optimal sterilization technique for both solid and porous membranes of the nondegradable POSS-PCU samples as it was successful in sterilizing the samples, displayed no cytotoxic side effects and did not degrade the material. However, the biodegradable POSS-PCL was not able to withstand the harsh environment during autoclaving, resulting in it losing all structural integrity. PMID:24039066

  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. Photoluminescence-based measurement technique of surface recombination velocity for high efficiency silicon and compound semiconductor solar cells

    SciTech Connect

    Saitoh, T.; Nakagawa, T.; Yoh, K.; Hasegawa, H.

    1994-12-31

    This paper shows that the recently proposed photoluminescence surface state spectroscopy (PLS{sup 3}) technique allows an in-situ, contactless and non-destructive determination of the value of the effective surface recombination velocity (S) under sunlight illumination and the surface/interface state density (N{sub ss}) distributions. This technique is successfully applied to measurement of the values of S at variously passivated Si surfaces. A best value of 3,000 cm/s is obtained under 1 sun condition for thermal oxidation. S is greatly reduced under concentrated sunlight. N{sub ss} distributions at compound semiconductor surfaces and heterointerfaces are also characterized to optimize the fabrication process of compound semiconductor solar cells. Formation of Si interface control layer (ICL) between InGaAs and SiO{sub 2} greatly reduces the interface states. Growth interruption at AlGaAs/GaAs hetero-interface produces high density of interface states. InAlAs/InGaAs heterointerfaces are also investigated. These results indicate that the new PLS{sup 3} technique is useful for the characterization and optimization of the fabrication processes of the silicon and compound semiconductor solar cells.

  14. 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. PMID:18496791

  15. Semiconductor and noble metal surface process characterization using electrochemical and optical methods

    NASA Astrophysics Data System (ADS)

    Srinivasan, Ramanathan

    Surface electrochemical processes are of importance in semiconductor manufacturing and electrochemical deposition. In this work, surface processes of noble metals are investigated by electrochemical and optical methods and the interpretations of the results are discussed. The specific adsorption of thiosulfate ions on polycrystalline silver electrode was studied by differential capacitance measurements using impedance analysis and the adsorption isotherm was found to be best explained by image dipole formation. The apparant dipole strength was determined to be 0.72 D. The determination of kinetics of galvanic deposition of gold on to silicon (111) was studied mainly by surface second harmonic generation (SHG). The results of SHG experiments along with atomic force microscopy (AFM) images indicate formation of clusters on the surface of silicon. The surface plasmon resonance of gold clusters causes strong enhancement of SHG and later, the growth of the clusters cause the drop in signal. By adding KF and HCl, the equilibria of HF dissociation were suitably altered and it was found that HF and not HF2- is the kinetically active species. Rutherford backscattering (RBS) measurements indicate that Au deposition is rate-limited by diffusion, while the SHG measurements indicate that Au cluster growth is rate-limited by either a surface reaction involving a fluoride-containing species or electron transfer. The reaction order for Au cluster growth with respect to HF is approximately ½, and the reaction order for Au cluster growth with respect to Au(CN)2- is near zero in the concentration range 10-4--10-5 M. The development and characteristics of a stable, high plating rate bath for electroless deposition of silver from silver cyanide and alkaline formaldehyde is described in the third chapter. Cyclic voltammograms indicate that the silver is passivated by cyanide ions which decrease the rate of silver reduction and hence the plating rate. Stirring the solution decreases the

  16. 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

  17. Prospects for Adapting Current ASTM Wear and Erosion Tests for Bulk Materials to Thin Films, Coatings, and Surface Treatments

    SciTech Connect

    Blau, Peter Julian

    2007-01-01

    Most of ASTM Committee G2's erosion, wear, and friction test standards were developed for use with bulk materials, yet there is a growing need to evaluate the tribological behavior of films, coatings, and surface treatments (FCSTs), some that affect layers only tens of nanometers to a few micrometers thick. Tribotesting standards for bulk materials can sometimes be modified for use on FCSTs, but the conditions and methods developed for bulk materials may sometimes be too severe or inapplicable. An internet search and literature review indicated that a number of G2 Committee standards are currently being used for FCSTs. Of these, ASTM G99 and G65 seem to be the most popular. When attempting to apply an existing wear standard for bulk materials to FCSTs, two key issues must be addressed: (1) whether changes are needed in the magnitudes of the applied conditions, and (2) whether more precise methods are needed to measure the magnitude of surface damage. Straightforward calculations underscore the limitations for wear measurement of thin layers when evaluated using block-on-ring and pin-on-disk tests. Finally, suggestions are given for modifying selected ASTM G2 standards to enable their use on films, coatings, and surface treatments.

  18. 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).

  19. Simultaneous observations of sea surface temperature in the western equatorial Pacific Ocean by bulk, radiative and satellite methods

    NASA Astrophysics Data System (ADS)

    Coppin, P. A.; Bradley, E. F.; Barton, I. J.; Godfrey, J. S.

    The increasing reliance on satellite observations for mapping and following changes in sea surface temperature (SST) has renewed interest in the measurement of the skin temperature of the ocean surface. In this experiment, skin surface temperature was measured with a narrow-band radiometer over a 13-day period in the western equatorial Pacific Ocean and compared with bulk sea temperatures and satellite-derived estimates. A cool skin was found to be a quasi-permanent feature in this region; its temperature averaged 0.3°C less than the bulk sea temperature. Conventional models for the cool skin were found to give a reasonable fit down to wind speeds of 1 m s-1. Satellite measurements showed some deviations from the true SST values, a result not unexpected, considering the substantial corrections required as a result of the high atmospheric water vapor content in these latitudes.

  20. 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.

  1. The effect of variation in conformational size in pom-pom polymer on bulk and surface thermodynamics

    NASA Astrophysics Data System (ADS)

    Yang, Sewoo; Lee, Namheui; Quirk, Roderic P.; Foster, Mark D.; Hammouda, Boualem; Satija, Sushil

    2006-10-01

    We have investigated the effect on bulk and surface thermodynamics of changing the size of the linear portion between junctions of a pom-pom polymer in blends of linear and branched polystyrene (PS). A series of pom-pom PS synthesized using anionic polymerization had well-defined structures and narrow molecular weight distributions. Small Angle Neutron Scattering (SANS) measurements of bulk blend samples revealed that varying the linear portion of the pom-pom branched polymer altered the effective interaction parameter. In addition, the purely entropic contribution to the interaction parameters was estimated by extrapolating data measured in blends with linear PS-r-deuterated PS linear copolymers having different degrees of deuterium labeling Neutron Reflectometry (NR), and Surface Enhanced Raman Spectroscopy (SERS) measurements show that varying the length of the central linear portion of the pom-pom polymer also affects the surface segregation.

  2. Kinetics of first-order phase transitions initiated by diffusion of particles from the surface into the bulk

    NASA Astrophysics Data System (ADS)

    Zhdanov, V. P.; Krozer, A.; Kasemo, B.

    1993-05-01

    The kinetic equations are formulated and solved to describe a first-order phase transition initiated by diffusion of particles from the surface into the bulk. The scenario of phase transformation is assumed to involve the following three stages. At first, the particles diffuse in the bulk almost freely because the grain concentration is low. Then, with increasing grain concentration, the particles are trapped predominantly near the interface and the space distribution of particles shifts to the interface. Finally, the dense phase formed near the interface blocks diffusion of particles from the interface into the bulk and prevents further uptake. General results are used to interpret the experimental data on the hydrogen uptake by Pd-coated Mg at low temperatures. In this system, the asymptotic hydrogen uptake as a function of time decreases with increasing hydrogen pressure. This unusual feature of the hydrogen uptake is shown to be qualitatively explained by hydride nucleation and growth near the Pd/Mg interface.

  3. 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

  4. Porous 3D graphene-based bulk materials with exceptional high surface area and excellent conductivity for supercapacitors

    PubMed Central

    Zhang, Long; Zhang, Fan; Yang, Xi; Long, Guankui; Wu, Yingpeng; Zhang, Tengfei; Leng, Kai; Huang, Yi; Ma, Yanfeng; Yu, Ao; Chen, Yongsheng

    2013-01-01

    Until now, few sp2 carbon materials simultaneously exhibit superior performance for specific surface area (SSA) and electrical conductivity at bulk state. Thus, it is extremely important to make such materials at bulk scale with those two outstanding properties combined together. Here, we present a simple and green but very efficient approach using two standard and simple industry steps to make such three-dimensional graphene-based porous materials at the bulk scale, with ultrahigh SSA (3523 m2/g) and excellent bulk conductivity. We conclude that these materials consist of mainly defected/wrinkled single layer graphene sheets in the dimensional size of a few nanometers, with at least some covalent bond between each other. The outstanding properties of these materials are demonstrated by their superior supercapacitor performance in ionic liquid with specific capacitance and energy density of 231 F/g and 98 Wh/kg, respectively, so far the best reported capacitance performance for all bulk carbon materials. PMID:23474952

  5. 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

  6. 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

  7. ARPES view on surface and bulk hybridization phenomena in the antiferromagnetic Kondo lattice CeRh2Si2.

    PubMed

    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 (1)5/2 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

  8. Topological surface states interacting with bulk excitations in the Kondo insulator SmB6 revealed via planar tunneling spectroscopy.

    PubMed

    Park, Wan Kyu; Sun, Lunan; Noddings, Alexander; Kim, Dae-Jeong; Fisk, Zachary; Greene, Laura H

    2016-06-14

    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

  9. Surface and bulk components of electrical conductivity in (presumably special topological) Kondo insulator SmB6 at lowest temperatures

    NASA Astrophysics Data System (ADS)

    Gabáni, S.; Pristáš, G.; Takáčová, I.; Sluchanko, N.; Siemensmeyer, K.; Shitsevalova, N.; Filipov, V.; Flachbart, K.

    2015-09-01

    Samarium hexaboride (SmB6) has recently been considered to be a topological Kondo insulator (TKI), the first strongly correlated electron system to exhibit topological surface conduction states. In this contribution, results of electrical resistivity measurements between 10 K and 0.04 K of various SmB6 single crystalline samples are presented, analysed and discussed. The received results imply that the residual conductivity of SmB6 below about 4 K is of non-activated (metallic-like) nature. It is shown that this metallic-like behaviour can be attributed both to surface (2D) conduction states, as may be expected in case of a topological insulator, as well as to the highly correlated many-body (3D) bulk ground state which is formed within the gap of this compound. From this it follows that in SmB6, in addition to surface conductivity states, there is in parallel also a bulk contribution to residual electrical conductivity originating from the strongly correlated electron system with valence fluctuations. This suggests that SmB6 is a new/special type of insulator in which in the energy gap besides the surface conduction states, there is also a conducting narrow in-gap band originating from the bulk strongly correlated electron system.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. Scattering theory of the chiral magnetic effect in a Weyl semimetal: interplay of bulk Weyl cones and surface Fermi arcs

    NASA Astrophysics Data System (ADS)

    Baireuther, P.; Hutasoit, J. A.; Tworzydło, J.; Beenakker, C. W. J.

    2016-04-01

    We formulate a linear response theory of the chiral magnetic effect in a finite Weyl semimetal, expressing the electrical current density j induced by a slowly oscillating magnetic field B or chiral chemical potential μ in terms of the scattering matrix of Weyl fermions at the Fermi level. Surface conduction can be neglected in the infinite-system limit for δ j/δ μ , but not for δ j/δ B: the chirally circulating surface Fermi arcs give a comparable contribution to the bulk Weyl cones no matter how large the system is, because their smaller number is compensated by an increased flux sensitivity. The Fermi arc contribution to {μ }-1δ j/δ B has the universal value {(e/h)}2, protected by chirality against impurity scattering—unlike the bulk contribution of opposite sign.

  16. 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

  17. 40 CFR 761.265 - Sampling bulk PCB remediation waste and porous surfaces.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... bulk PCB remediation waste that is in a single container. (1) Use a core sampler to collect a minimum... minimum of 50 cm3 of waste for analysis. (2) If more than one core sample is taken, thoroughly mix all samples into a composite sample. Take a subsample of a minimum of 50 cm3 from the mixed composite...

  18. 40 CFR 761.265 - Sampling bulk PCB remediation waste and porous surfaces.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... bulk PCB remediation waste that is in a single container. (1) Use a core sampler to collect a minimum... minimum of 50 cm3 of waste for analysis. (2) If more than one core sample is taken, thoroughly mix all samples into a composite sample. Take a subsample of a minimum of 50 cm3 from the mixed composite...

  19. 40 CFR 761.265 - Sampling bulk PCB remediation waste and porous surfaces.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... bulk PCB remediation waste that is in a single container. (1) Use a core sampler to collect a minimum... minimum of 50 cm3 of waste for analysis. (2) If more than one core sample is taken, thoroughly mix all samples into a composite sample. Take a subsample of a minimum of 50 cm3 from the mixed composite...

  20. 40 CFR 761.265 - Sampling bulk PCB remediation waste and porous surfaces.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... bulk PCB remediation waste that is in a single container. (1) Use a core sampler to collect a minimum... minimum of 50 cm3 of waste for analysis. (2) If more than one core sample is taken, thoroughly mix all samples into a composite sample. Take a subsample of a minimum of 50 cm3 from the mixed composite...

  1. Dopant in Near-Surface Semiconductor Layers of Metal-Insulator-Semiconductor Structures Based on Graded-Gap p-Hg0.78Cd0.22Te Grown by Molecular-Beam Epitaxy

    NASA Astrophysics Data System (ADS)

    Voitsekhovskii, A. V.; Nesmelov, S. N.; Dzyadukh, S. M.

    2016-02-01

    Peculiarities in determining the dopant concentration and dopant distribution profile in the near-surface layer of a semiconductor are investigated by measuring the admittance of metal-insulator-semiconductor structures (MIS structures) based on p-Hg0.78Cd0.22Te grown by molecular beam epitaxy. The dopant concentrations in the near-surface layer of the semiconductor are determined by measuring the admittance of MIS structures in the frequency range of 50 kHz to 1 MHz. It is shown that in this frequency range, the capacitance-voltage characteristics of MIS structures based on p-Hg0.78Cd0.22Te with a near-surface graded gap layer demonstrate a high-frequency behavior with respect to the recharge time of surface states located near the Fermi level for an intrinsic semiconductor. The formation time of the inversion layer is decreased by less than two times, if a near-surface graded-gap layer is created. The dopant distribution profile in the near-surface layer of the semiconductor is found, and it is shown that for structures based on p-Hg0.78Cd0.22Te with a near-surface graded-gap layer, the dopant concentration has a minimum near the interface with the insulator. For MIS structure based on n-Hg0.78Cd0.22Te, the dopant concentration is more uniformly distributed in the near-surface layer of the semiconductor.

  2. 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. PMID:21770718

  3. In situ investigation of titanium nitride surface dynamics: The role of surface and bulk mass transport processes

    NASA Astrophysics Data System (ADS)

    Bareno, Javier

    NaCl-structure TiN and related transition-metal (TM) nitrides are widely used as hard wear-resistant coatings on cutting tools, diffusion-barriers in microelectronic devices, corrosion-resistant layers on mechanical components, and abrasion-resistant thin films on optics and architectural glass. Since the elastic and physical properties of TiN are highly anisotropic, controlling the microstructural and surface morphological evolution of polycrystalline TM nitride films is important for all of the above applications. In this thesis, I used in-situ high-temperature low-energy electron microscopy (LEEM) to gain insight into film growth and microstructure development dynamics by studying mass-transport processes occurring during annealing of three dimensional (3D) structures on TiN surfaces. Additionally, in order to extend the current understanding of nanostructure development in binary nitride films to more complex ternary TM-nitride-based nanocomposites, I employed in-situ scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED), as well as ab-initio modeling, to investigate the atomic structure of the SiNx/TiN heterointerfaces which control the properties of SiNx-TiN nanocomposites. The LEEM studies of mass transport on TiN(111) focus on two specific surface morphologies which are observed to be present during growth of TiN single-crystals. (1) I investigated the temperature-dependent coarsening/decay kinetics of three-dimensional TiN island mounds on large (>1000 A) atomically-flat terraces; showing that TiN(111) steps are highly permeable and exhibit strong repulsive temperature-dependent step-step interactions that vary from 0.03 eV-A at 1559 K to 0.76 eV-A at 1651 K. (2) I studied the nucleation and growth of spiral steps originating at surface-terminated screw dislocations; I developed a model of spiral growth relating the emission rate of point defects from the bulk to the temperature-dependent spiral rotation frequency o(T); and I

  4. Sub-surface characterization and three dimensional profiling of semiconductors by magnetic resonance force microscopy

    SciTech Connect

    Hammel, P.C.; Moore, G.; Roukes, M.; Zhenyong Zhang

    1996-10-01

    This is the final report of a two-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The project successfully developed a magnetic resonance force microscope (MRFM) instrument to mechanically detect magnetic resonance signals. This technique provides an intrinsically subsurface, chemical-species-specific probe of structure, constituent density and other properties of materials. As in conventional magnetic resonance imaging (MRI), an applied magnetic field gradient selects a well defined volume of the sample for study. However mechanical detection allows much greater sensitivity, and this in turn allows the reduction of the size of the minimum resolvable volume. This requires building an instrument designed to achieve nanometer-scale resolution at buried semiconductor interfaces. High-resolution, three-dimensional depth profiling of semiconductors is critical in the development and fabrication of semiconductor devices. Currently, there is no capability for direct, high-resolution observation and characterization of dopant density, and other critical features of semiconductors. The successful development of MRFM in conjunction with modifications to improve resolution will enable for the first time detailed structural and electronic studies in doped semiconductors and multilayered nanoelectronic devices, greatly accelerating the current pace of research and development.

  5. 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

  6. 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.

  7. Properties of nanocones formed on a surface of semiconductors by laser radiation: quantum confinement effect of electrons, phonons, and excitons.

    PubMed

    Medvid, Artur; Onufrijevs, Pavels; Mychko, Alexander

    2011-01-01

    On the basis of the analysis of experimental results, a two-stage mechanism of nanocones formation on the irradiated surface of semiconductors by Nd:YAG laser is proposed for elementary semiconductors and solid solutions, such as Si, Ge, SiGe, and CdZnTe. Properties observed are explained in the frame of quantum confinement effect. The first stage of the mechanism is characterized by the formation of a thin strained top layer, due to redistribution of point defects in temperature-gradient field induced by laser radiation. The second stage is characterized by mechanical plastic deformation of the stained top layer leading to arising of nanocones, due to selective laser absorption of the top layer. The nanocones formed on the irradiated surface of semiconductors by Nd:YAG laser possessing the properties of 1D graded bandgap have been found for Si, Ge, and SiGe as well, however QD structure in CdTe was observed. The model is confirmed by "blue shift" of bands in photoluminescence spectrum, "red shift" of longitudinal optical line in Raman back scattering spectrum of Ge crystal, appearance of Ge phase in SiGe solid solution after irradiation by the laser at intensity 20 MW/cm2, and non-monotonous dependence of Si crystal micro-hardness as function of the laser intensity. PMID:22060172

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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. PMID:26603192

  13. Bulk Fermi Surface of Charge-Neutral Excitations in SmB6 or Not: A Heat-Transport Study

    NASA Astrophysics Data System (ADS)

    Xu, Y.; Cui, S.; Dong, J. K.; Zhao, D.; Wu, T.; Chen, X. H.; Sun, Kai; Yao, Hong; Li, S. Y.

    2016-06-01

    Recently, there have been increasingly hot debates on whether a bulk Fermi surface of charge-neutral excitations exists in the topological Kondo insulator SmB6 . To unambiguously resolve this issue, we perform the low-temperature thermal conductivity measurements of a high-quality SmB6 single crystal down to 0.1 K and up to 14.5 T. Our experiments show that the residual linear term of thermal conductivity at the zero field is zero, within the experimental accuracy. Furthermore, the thermal conductivity is insensitive to the magnetic field up to 14.5 T. These results demonstrate the absence of fermionic charge-neutral excitations in bulk SmB6 , such as scalar Majorana fermions or spinons and, thus, exclude the existence of a bulk Fermi surface suggested by a recent quantum oscillation study of SmB6 . This puts a strong constraint on the explanation of the quantum oscillations observed in SmB6 .

  14. Probing surface and bulk electrochemical processes on the LaAlO3-SrTiO3 interface

    SciTech Connect

    Kumar, Amit; Arruda, Thomas M; Kim, Yunseok; Ivanov, Ilia N; Jesse, Stephen; Bark, C; Bristowe, Nicholas C; Artacho, Emilio; Littlewood, Peter B; Eom, Professor Chang-Beom; Kalinin, Sergei V

    2012-01-01

    Local electrochemical phenomena on the surfaces of LaAlO3-SrTiO3 heterostructure are explored using unipolar and bipolar dynamic electrochemical strain microscopy (D-ESM). The D-ESM suggests the presence of at least two distinct electrochemical processes, including fast reversible low-voltage process and slow high-voltage process. The latter process is associated with static surface deformations in the sub-nm regime. These behaviors are compared with Kelvin Probe Force Microscopy hysteresis data. The possible origins of observed phenomena are discussed and these studies suggest that charge-writing behavior in LAO-STO include strong surface/bulk electrochemical component and are more complicated than simple screening by surface adsorbates.

  15. Interactions between kappa-carrageenan and some surfactants in the bulk solution and at the surface of alumina.

    PubMed

    Grządka, E

    2015-06-01

    The interactions between surfactants (SDS, CTAB, TX-100 or their equimolar mixtures) and kappa-carrageenan (Carr) in the bulk solution and at the surface of alumina were determined using the surface tension and the spectrophotometric adsorption measurements. The obtained results show that Carr has the ability to create the multilayer complexes with CTAB, TX-100 and the equimolar mixtures of surfactants (CTAB/TX-100), but does not interact with SDS. The created complexes are electrostatic (with CTAB) or they are of different mechanisms such as the hydrogen bonding or the acid-base interactions (with TX-100). The electrokinetic measurements (the surface charge density and the zeta potential) allow to analyze the structure of the adsorption layer: polymer/surfactant/metal oxide. It turned out that the macromolecules of Carr are directly bonded to the surface whereas the surfactants are present in the upper parts of the electrical double layer. PMID:25843828

  16. The structure of the bulk and the (001) surface of V2O5. A DFT+U study

    NASA Astrophysics Data System (ADS)

    Ranea, Víctor A.; Dammig Quiña, Pablo L.

    2016-08-01

    GGA (PW91) + U is applied to the calculation of the structure (lattice parameters) and the electronic structure of the V2O5 bulk and its (001) surface for different values of U eff used in the literature (0.0, 3.0 and 6.6 eV). Similar surface lattice parameters are calculated for the (001) surface and for the bulk, as well as similar electronic structures. The calculated lattice parameters (a and b for the surface and a, b and c for the bulk) are in good agreement with experimental results. It seems that there is no strong correlation between the calculated lattice parameters and the value of U eff . The calculated width of the valence band keeps the value of ≈ 5 {{eV}} for the three studied U eff . However, the energy gap between the valence and the conduction bands increases with the value of U eff . U eff = 3.0 eV seems to be the most adequate value to describe the energy gap after comparison with experimental results. Electronic density contour plots indicate that for a larger (smaller) U eff the accumulated charge in the V-O(1) bond is overestimated (underestimated). The contour plots (in the a direction) show that the charge distribution V-O(3) is less correlated with U eff than the charge distribution V-O(1), whereas charge distribution V-O(2) seems not to be corretaled with U eff . The energy gap between the valence and the conduction bands seems to be strongly related with the charge distribution in the V-O(1) bond. The V-O(1) bond stability seems to be correlated with U eff . However, the stability of the V-O(2) and V-O(3) bonds seems not to be strongly affected by U eff .

  17. Surface and bulk scattering by magnetic and dielectric inhomogeneities: a first-order method.

    PubMed

    Dieudonné, É; Malléjac, N; Amra, C; Enoch, S

    2013-09-01

    The scattering of a magnetodielectric multilayer has been studied by a first-order method. The model reported in this manuscript relies on the equivalence between heterogeneities of the medium and fictitious electric and magnetic sources. Types of inhomogeneities considered are roughness and bulk inhomogeneities and concern both permittivity and permeability. The numerical results are compared to those given in previous papers for optical scattering. It is shown in the microwave spectra that angle-resolved scattering allows identification of the scattering origins (permittivity or permeability spectra). The cases of isotropic films and metamaterials are presented and discussed. PMID:24323258

  18. A spatially resolved retarding field energy analyzer design suitable for uniformity analysis across the surface of a semiconductor wafer

    SciTech Connect

    Sharma, S.; Gahan, D. Hopkins, M. B.; Kechkar, S.; Daniels, S.

    2014-04-15

    A novel retarding field energy analyzer design capable of measuring the spatial uniformity of the ion energy and ion flux across the surface of a semiconductor wafer is presented. The design consists of 13 individual, compact-sized, analyzers, all of which are multiplexed and controlled by a single acquisition unit. The analyzers were tested to have less than 2% variability from unit to unit due to tight manufacturing tolerances. The main sensor assembly consists of a 300 mm disk to mimic a semiconductor wafer and the plasma sampling orifices of each sensor are flush with disk surface. This device is placed directly on top of the rf biased electrode, at the wafer location, in an industrial capacitively coupled plasma reactor without the need for any modification to the electrode structure. The ion energy distribution, average ion energy, and average ion flux were measured at the 13 locations over the surface of the powered electrode to determine the degree of spatial nonuniformity. The ion energy and ion flux are shown to vary by approximately 20% and 5%, respectively, across the surface of the electrode for the range of conditions investigated in this study.

  19. A spatially resolved retarding field energy analyzer design suitable for uniformity analysis across the surface of a semiconductor wafer.

    PubMed

    Sharma, S; Gahan, D; Kechkar, S; Daniels, S; Hopkins, M B

    2014-04-01

    A novel retarding field energy analyzer design capable of measuring the spatial uniformity of the ion energy and ion flux across the surface of a semiconductor wafer is presented. The design consists of 13 individual, compact-sized, analyzers, all of which are multiplexed and controlled by a single acquisition unit. The analyzers were tested to have less than 2% variability from unit to unit due to tight manufacturing tolerances. The main sensor assembly consists of a 300 mm disk to mimic a semiconductor wafer and the plasma sampling orifices of each sensor are flush with disk surface. This device is placed directly on top of the rf biased electrode, at the wafer location, in an industrial capacitively coupled plasma reactor without the need for any modification to the electrode structure. The ion energy distribution, average ion energy, and average ion flux were measured at the 13 locations over the surface of the powered electrode to determine the degree of spatial nonuniformity. The ion energy and ion flux are shown to vary by approximately 20% and 5%, respectively, across the surface of the electrode for the range of conditions investigated in this study. PMID:24784609

  20. 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.

  1. 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.

  2. Self-Organizing Cyclolinear Organosilicon Polymers in Bulk and on the Surface of Water †

    PubMed Central

    Makarova, Nataliya N.; Astapova, Tat’yana V.; Buzin, Alexander I.; Polishchuk, Arkady P.; Chizhova, Nataliya V.; Petrova, Irina M.

    2013-01-01

    Cyclolinear organocarbosiloxane polymers with varying content and location of (CH2)n groups in the monomer unit were synthesized by reactions of heterofunctional polycondensation and polyaddition of difunctional organocyclosiloxanes and organocyclocarbosiloxanes. Their bulk properties were studied by differential scanning calorimetry and X-ray structural analysis. It was shown that on introduction of CH2 groups into the methylcyclohexasiloxane unit, the polymer retains the ability to self-organize with formation of a mesomorphic state in a wide temperature range, while on introduction of (CH2)2 fragments in a cyclotetrasiloxane unit or in a bridge connecting two methylcyclotetra(hexa)siloxane units it does not. Comparison of the X-ray data of dihydroxy derivatives of decamethylcyclohexasiloxane and decamethyl-5-carbocyclohexasiloxane with packing of cyclolinear organosilicon polymers in bulk shows that the polymer inherits the layered type of crystalline structure typical for monomers. Langmuir films of cyclolinear polymethylcarbosiloxanes with different design of monomer units were studied as well. It was revealed that all polymers form monomolecular films at the air/water interface, excluding those having longer hydrophobic fragment than hydrophilic ones. The ability to form multilayers depends on the surroundings of Si atom in the bridge between the cycles. PMID:24013373

  3. 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

  4. Experimental and Theoretical Studies on Oxidation of Cu-Au Alloy Surfaces: Effect of Bulk Au Concentration.

    PubMed

    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

  5. (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.

  6. 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

    2016-01-01

    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

  7. 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.

  8. 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

  9. Superconductivity below 20 K in heavily electron-doped surface layer of FeSe bulk crystal

    NASA Astrophysics Data System (ADS)

    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.

    2016-04-01

    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.

  10. 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.

  11. Fabrication and characterization of PbSe nanostructures on van der Waals surfaces of GaSe layered semiconductor crystals

    NASA Astrophysics Data System (ADS)

    Kudrynskyi, Z. R.; Bakhtinov, A. P.; Vodopyanov, V. N.; Kovalyuk, Z. D.; Tovarnitskii, M. V.; Lytvyn, O. S.

    2015-11-01

    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 Ga2O3 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 (˜108 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.

  12. Considerations on nonlinearity measurement with high signal-to-noise ratio for RF surface and bulk acoustic wave devices

    NASA Astrophysics Data System (ADS)

    Kodaira, Ryosuke; Omori, Tatsuya; Hashimoto, Ken-ya; Kyoya, Haruki; Nakagawa, Ryo

    2015-07-01

    This paper discusses the measurement setup of non-linearity caused in radio frequency (RF) surface and bulk acoustic wave (SAW/BAW) devices with high signal-to-noise ratio (SNR). It is shown that when some important points are considered, the background level can be suppressed better than -135 dBm, and the non-linearity signals can be measured in high SNR. Finally, measured results are compared with those measured independently by Murata Manufacturing, and validity of the measurement is cross-checked.

  13. 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.

  14. Ultrasonic evaluation of residual stresses in aero engine materials using bulk and Rayleigh surface waves

    NASA Astrophysics Data System (ADS)

    Hubel, Sebastian; Dillhöfer, Alexander; Rieder, Hans; Spies, Martin; Bamberg, Joachim; Götz, Joshua; Hessert, Roland; Preikszas, Christina

    2014-02-01

    The evaluation of residual stresses using ultrasound can be a very complex issue, because different material properties may effect the propagation of ultrasonic waves. Nevertheless, in the manufacturing of modern aero engines it is essential to benefit from the full potential of the employed materials. In this context, it is indispensable to test whether ultrasonic stress measurement is applicable for the highly developed nickel- and titanium-based alloys. This contribution contains basic investigations on the achievable measurement effect in samples made of Inconel IN718 and the Titanium alloy Ti 6-2-4-6. Furthermore, we give an overview over the principles of ultrasonic stress measurement using bulk and Rayleigh waves and present first results which are discussed with respect to texture effects and future work.

  15. Surface-emitting quantum cascade laser with 2nd-order metal-semiconductor gratings for single-lobe emission

    NASA Astrophysics Data System (ADS)

    Boyle, C.; Sigler, C.; Kirch, J. D.; Lindberg, D.; Earles, T.; Botez, D.; Mawst, L. J.

    2016-03-01

    Grating-coupled, surface-emitting (GCSE) quantum-cascade lasers (QCLs) are demonstrated with high-power, single-lobe surface emission. A 2nd-order Au-semiconductor distributed-feedback (DFB)/ distributed-Bragg-reflector (DBR) grating is used for feedback and out-coupling. The DFB and DBR grating regions are 2.55 mm- and 1.28 mm-long, respectively, for a total grating length of 5.1 mm. The lasers are designed to operate in a symmetric longitudinal mode by causing resonant coupling of the guided optical mode to the antisymmetric surface-plasmon modes of the 2nd-order metal/semiconductor grating. In turn, the antisymmetric longitudinal modes are strongly absorbed by the metal in the grating, causing the symmetric longitudinal mode to be favored to lase, which produces a single lobe beam over a grating duty-cycle range of 36-41 %. Simulations indicate that the symmetric mode is always favored to lase, independent of the random phase of residual reflections from the device's cleaved ends. Peak pulsed output powers of ~ 0.4 W were measured with single-lobe, single-mode operation near 4.75 μm.

  16. 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.

  17. Surface enhanced Raman spectroscopic studies of the metal-semiconductor interface in organic field effect transistors

    NASA Astrophysics Data System (ADS)

    Adil, Danish; Guha, Suchi

    2012-02-01

    The performance of organic field-effect transistors (FETs) largely depends on the nature of interfaces of dissimilar materials. Metal-semiconductor interfaces, in particular, play a critical role in the charge injection process. Here, Raman spectroscopy is used to investigate the nature of the Au-semiconductor interface in pentacene based FETs. A large enhancement in the Raman intensity (SERS) is observed from the pentacene film under the Au layer. The enhancement is evidence of a nano-scale roughness in the morphology of the interface, which is further confirmed by electron microscopy images. The morphology of the interface is investigated by SERS as a function of the pentacene layer thickness and the Au layer thickness. The Raman spectra are found to be extremely sensitive in detecting small changes in the morphology of the interface in the sub-nanometer range. Changes in the Raman spectra are further tracked after biasing and ageing the devices. Evolution of these Raman spectra is correlated with degradation in device performance. Finally, FETs based on other donor-acceptor semiconductors are probed by Raman scattering and contrasted with those of the pentacene-based devices.

  18. 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.

  19. Bulk and surface properties of demixing liquid Al-Sn and Sn-Tl alloys

    NASA Astrophysics Data System (ADS)

    Odusote, Y. A.; Popoola, A. I.; Oluyamo, S. S.

    2016-02-01

    The energetics of mixing in Al-Sn and Sn-Tl-segregating binary alloys has been explained through the study of surface properties (surface concentrations and surface tension) and various concentration-dependent thermodynamic (free energy of mixing, entropy of mixing and enthalpy of mixing) and transport (chemical diffusion) properties as well as the microscopic functions (concentration fluctuations in the long-wavelength limits and chemical short-range order parameter) using a statistical mechanical theory in conjunction with the self-association model (SAM). The theoretical property values obtained by the SAM were compared to the corresponding experimental values available in literature.

  20. 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.

  1. 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.

  2. 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.

  3. Momentum-Resolved Spin Dynamics of Bulk and Surface Excited States in the Topological Insulator Bi2Se3

    NASA Astrophysics Data System (ADS)

    Cacho, C.; Crepaldi, A.; Battiato, M.; Braun, J.; Cilento, F.; Zacchigna, M.; Richter, M. C.; Heckmann, O.; Springate, E.; Liu, Y.; Dhesi, S. S.; Berger, H.; Bugnon, Ph.; Held, K.; Grioni, M.; Ebert, H.; Hricovini, K.; Minár, J.; Parmigiani, F.

    2015-03-01

    The prospect of optically inducing and controlling a spin-polarized current in spintronic devices has generated wide interest in the out-of-equilibrium electronic and spin structure of topological insulators. In this Letter we show that only measuring the spin intensity signal over several orders of magnitude by spin-, time-, and angle-resolved photoemission spectroscopy can provide a comprehensive description of the optically excited electronic states in Bi2Se3. Our experiments reveal the existence of a surface resonance state in the second bulk band gap that is benchmarked by fully relativistic ab initio spin-resolved photoemission calculations. We propose that the newly reported state plays a major role in the ultrafast dynamics of the system, acting as a bottleneck for the interaction between the topologically protected surface state and the bulk conduction band. In fact, the spin-polarization dynamics in momentum space show that these states display macroscopically different temperatures and, more importantly, different cooling rates over several picoseconds.

  4. Comparative study on interface and bulk charges in AlGaN/GaN metal-insulator-semiconductor heterostructures with Al2O3, AlN, and Al2O3/AlN laminated dielectrics

    NASA Astrophysics Data System (ADS)

    Zhu, Jie-Jie; Ma, Xiao-Hua; Chen, Wei-Wei; Hou, Bin; Xie, Yong; Hao, Yue

    2016-05-01

    In this paper, the interface and bulk charges in AlGaN/GaN metal-insulator-semiconductor (MIS) heterostructures with AlN, Al2O3, and Al2O3/AlN laminated dielectrics were studied. In situ plasma pretreatment resulted negligible interface trap states and voltage hysteresis. The fixed charge density at Al2O3/AlN (or Al2O3/barrier) interface was estimated to be 1.66 × 1013 cm-2 by using flat-band voltage shift, and the oxide bulk charge concentration was 2.86 × 1017 cm-3. The interface charge density at other interfaces were at the order of 1011 cm-2. Simulation results using the above charge density/concentration indicated that Al2O3/AlN interface fixed charges dominated the dielectric-related voltage shift in AlGaN/GaN MIS heterostructures, which caused a large voltage shift of -3 V with 10 nm Al2O3 thickness, while the flat-band voltage variety resulting from other types of charges was within 0.1 V.

  5. 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.

  6. 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.

  7. Molecular Dynamics Investigation of the Products of Alkoxysilane Condensation: Bulk Gels and Surface Coatings

    NASA Astrophysics Data System (ADS)

    Faller, Roland; Deetz, Joshua

    We characterize silica gels and organo-silicon surface coatings using reactive molecular dynamics simulations. To model the chemical reactions, we use a reactive force field (ReaxFF) which we have optimized in a novel parallelized semi-automatic way to model hydrolysis and condensation reactions. The morphologies of silica gels obtained from tetra- and tri-alkoxysilanes are determined by allowing the system to condense while simultaneously removing water and replacing it with precursor solution. It is found that the gels obtained from trialkoxysilanes are more loosely bonded, and that the chemistry of the headgroup is important to the gel morphology. We furthermore simulated the chemisorption of alkoxysilanes with organic headgroups to hydroxylated silica surfaces. We observe a competition between alkoxysilanes condensing with themselves or with the silica surface.

  8. 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

  9. Production of nanostructures on bulk metal samples by laser ablation for fabrication of low-reflective surfaces

    NASA Astrophysics Data System (ADS)

    Hopp, Béla; Smausz, Tomi; Csizmadia, Tamás; Vass, Csaba; Tápai, Csaba; Kiss, Bálint; Ehrhardt, Martin; Lorenz, Pierre; Zimmer, Klaus

    2013-11-01

    Nanostructure formation on bulk noble metals (copper, gold and silver) by a femtosecond laser was studied aiming at the production of low-reflectivity surfaces. The target surface was irradiated with the beam of a 775 nm wavelength and 150 fs pulse duration Ti:sapphire laser. The fluence was in the 16-2000 mJ/cm2 range, while the average pulse number was varied between 10 and 1000 depending on the scanning speed of the sample stage. The reflectivity of the treated surfaces was measured with a visible-near-infrared microspectrometer in the 450-800 nm range, while the morphology was studied with a scanning electron microscope. A strong correlation was found between the decreasing reflectivity and the nanostructure formation on the irradiated surface; however, the morphology of silver significantly differed from those of copper and gold. For the two latter metals a dense coral-like structure was found probably as a result of cluster condensation in the ablation plume followed by diffusion-limited aggregation. In the case of silver the surface was covered by nanodroplets, which formation was probably influenced by the ‘spitting’ caused by ambient oxygen absorption in the molten silver followed by its fast release during the resolidification.

  10. Influence of protein bulk properties on membrane surface coverage during immobilization.

    PubMed

    Militano, Francesca; Poerio, Teresa; Mazzei, Rosalinda; Piacentini, Emma; Gugliuzza, Annarosa; Giorno, Lidietta

    2016-07-01

    Biomolecules immobilization is a key factor for many biotechnological applications. For this purpose, the covalent immobilization of bovine serum albumin (BSA), lipase from Candida rugosa and protein G on differently functionalized regenerated cellulose membranes was investigated. Dynamic light scattering and electrophoresis measurements carried out on biomolecules in solution indicated the presence of monomers, dimers and trimers for both BSA and protein G, while large aggregates were observed for lipase. The immobilization rate and the surface coverage on functionalized regenerated cellulose membranes were studied as a function of biomolecule concentration. Results indicated that the saturation coverage of BSA and protein G was concentration independent (immobilized protein amount of 2.40±0.03mg/g and 2.65±0.07mg/g, respectively). Otherwise, a different immobilization kinetics trend was obtained for lipase, for which the immobilized amount increases as a function of time without reaching a saturation value. Atomic force microscopy (AFM) micrographs showed the formation of monolayers for both BSA and protein G on the membrane surface, while a multilayer structure is found for lipase, in agreement with the trends observed in the related immobilization kinetics. As a result, the morphology of the proteins layer on the membrane surface seems to be strictly dependent on the proteins behavior in solution. Besides, the surface coverage has been described for BSA and protein G by the pseudo second order models, the results indicating the surface reaction as the controlling step of immobilization kinetics. Finally, enzyme activity and binding capacity studies indicated the preservation of the biomolecule functional properties. PMID:27022871

  11. End-to-End Self-Assembly of Semiconductor Nanorods in Water by Using an Amphiphilic Surface Design.

    PubMed

    Taniguchi, Yuki; Takishita, Takao; Kawai, Tsuyoshi; Nakashima, Takuya

    2016-02-01

    One-dimensional (1D) self-assemblies of nanocrystals are of interest because of their vectorial and polymer-like dynamic properties. Herein, we report a simple method to prepare elongated assemblies of semiconductor nanorods (NRs) through end-to-end self-assembly. Short-chained water-soluble thiols were employed as surface ligands for CdSe NRs having a wurtzite crystal structure. The site-specific capping of NRs with these ligands rendered the surface of the NRs amphiphilic. The amphiphilic CdSe NRs self-assembled to form elongated wires by end-to-end attachment driven by the hydrophobic effect operating between uncapped NR ends. The end-to-end assembly technique was further applied to CdS NRs and CdSe tetrapods (TPs) with a wurtzite structure. PMID:26836341

  12. 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. PMID:25819878

  13. Evolution from surface-influenced to bulk-like dynamics in nanoscopically confined water.

    PubMed

    Romero-Vargas Castrillón, Santiago; Giovambattista, Nicolás; Aksay, Ilhan A; Debenedetti, Pablo G

    2009-06-11

    We use molecular dynamics simulations to study the influence of confinement on the dynamics of a nanoscopic water film at T = 300 K and rho = 1.0 g cm(-3). We consider two infinite hydrophilic (beta-cristobalite) silica surfaces separated by distances between 0.6 and 5.0 nm. The width of the region characterized by surface-dominated slowing down of water rotational dynamics is approximately 0.5 nm, while the corresponding width for translational dynamics is approximately 1.0 nm. The different extent of perturbation undergone by the in-plane dynamic properties is evidence of rotational-translational decoupling. The local in-plane rotational relaxation time and translational diffusion coefficient collapse onto confinement-independent "master" profiles as long as the separation d >or= 1.0 nm. Long-time tails in the perpendicular component of the dipole moment autocorrelation function are indicative of anisotropic behavior in the rotational relaxation. PMID:19449830

  14. Quantum oscillations from generic surface Fermi arcs and bulk chiral modes in Weyl semimetals.

    PubMed

    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

  15. 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

  16. Surface Carrier Dynamics on Semiconductor Studied with Femtosecond Core-Level Photoelectron Spectroscopy Using Extreme Ultraviolet High-Order Harmonic Source

    NASA Astrophysics Data System (ADS)

    Oguri, K.; Tsunoi, T.; Kato, K.; Nakano, H.; Nishikawa, T.; Gotoh, H.; Tateno, K.; Sogawa, T.

    2013-03-01

    We have used a femtosecond time-resolved core-level surface PES system based on the 92-eV harmonic source to study the surface carrier dynamics that induces the transient SPV on semiconductor surfaces. We clarified the temporal evolution of the transient SPV characterized by the time of the photo-generated carrier separation and recombination. This result demonstrates the potential of this technique for clarifying the initial stage of the surface carrier dynamics after photoexcitation.

  17. Hot Electron Effects in Semiconductors.

    NASA Astrophysics Data System (ADS)

    Moore, James Scott

    The high-field transport of electrons has been calculated for two semiconductor configurations: quasi -two-dimensional and bulk. All calculations are performed by solving the Boltzmann equation, assuming a displaced Maxwellian distribution function. In the case of quasi-two-dimensional semiconductors, this treatment is applied to a <100> inversion layer in silicon. Under a high electric field, energy levels become grouped into subbands, so that motion of carriers perpendicular to the surface becomes quantized; thus, the energy, momentum and population transfer relaxation rates appropriate to the individual levels must be considered in the calculations, along with their relation to velocity overshoot. Previous work was performed under the assumption that intervalley scattering is a local phenomenon, i.e., a function only of electron temperature of the initial valley. In the present work, this assumption has been relaxed, and the intervalley coupling of electron temperature is taken into account. dc and transient response characteristics for both uncoupled and coupled models are performed, and the results are compared. Due to the recent interest in GaAs/Al(,x)Ga(,1 -x)As superlattices, there exists a need for a theory of hot electron transport in these structures. Since GaAs is a polar semiconductor, a theory must first be derived for polar III-V compounds under inversion, the result then being easily extended to superlattices. In this work, such theory is derived but, due to the alignment of the subbands, the simultaneous balance equations cannot be solved numerically with the approach undertaken here (solution of the Boltzmann equation). A theory of transport in bulk III-V compounds is modified by some simplifying approximations to make the theory numerically tractable, this theory then being applied to model bulk III-V compounds (in particular dc and transient response characteristics), along with their ternary and quaternary alloys. These results are found to

  18. Surface passivation of III-V semiconductors for future CMOS devices—Past research, present status and key issues for future

    NASA Astrophysics Data System (ADS)

    Hasegawa, H.; Akazawa, M.; Domanowska, A.; Adamowicz, B.

    2010-07-01

    Currently, III-V metal-insulator-semiconductor field effect transistors (MISFETs) are considered to be promising device candidates for the so-called "More Moore Approach" to continue scaling CMOS transistors on the silicon platform. Strong interest also exists in III-V nanowire MISFETs as a possible candidate for a "Beyond CMOS"-type device. III-V sensors using insulator-semiconductor interfaces are good candidates for "More Moore"-type of devices on the Si platform. The success of these new approaches for future electronics depends on the availability of a surface passivation technology which can realize pinning-free, high-quality interfaces between insulator and III-V semiconductors. This paper reviews the past history, present status and key issues of the research on the surface passivation technology for III-V semiconductors. First, a brief survey of previous research on surface passivation and MISFETs is made, and Fermi level pinning at insulator-semiconductor interface is discussed. Then, a brief review is made on recent approaches of interface control for high-k III-V MIS structures. Subsequently, as an actual example of interface control, latest results on the authors' surface passivation approach using a silicon interface control layer (Si ICL) are discussed. Finally, a photoluminescence (PL) method to characterize the interface quality is presented as an efficient contactless and non-destructive method which can be applied at each step of interface formation process without fabrication of MIS capacitors and MISFETs.

  19. Bulk and surface structure characterization of nanoscopic silver doped lanthanum chromites

    NASA Astrophysics Data System (ADS)

    Desai, P. A.; Joshi, P. N.; Patil, K. R.; Athawale, Anjali A.

    2013-01-01

    Crystalline state of lanthanum chromites with silver as a dopant has been studied by X-ray diffraction and transmission electron microscopy reveals microscopic properties of grain boundaries. X-ray photoelectron spectroscopy has been used to analyze surface states with atomic ratio of La, Cr, O and Ag as a dopant. LaCrO3 shows mixed valence states of chromium while the silver doped samples exhibit differences in chromium concentration with the oxidation of Cr3+ to Cr6+ in presence of chromium nitrate as a precursor salt. Trivalent stable state of chromium is observed for samples synthesized by chromic acetate as a precursor salt.

  20. Evaluation of a relationship between polymer bulk hydroxyl and surface oxygen content and in vitro serum - material interaction

    SciTech Connect

    Sawada, Koji; Shimoyama, Takashi ); Malchesky, P.S.; Goldcamp, J.B.; Omokawa, Susumu )

    1993-04-01

    To evaluate serum-material interaction for six types of minimodule and to assess the relationship between the interaction and chemical composition, notably bulk polymer hydroxyl ([minus]OH) percent of polymer, or surface oxygen (SO) percent, polymeric membranes with varying [minus]OH and SO percents were evaluated with normal human serum. The membrane materials ([minus]OH percent and SO percent) evaluated included polypropylene (PP; 0% and 1.9%), polyvinyl alcohol (PVA; 23.7% and 27.3%), ethylene vinyl alcohol (EVAL 4A and D; 30.4% and 25.3%), Cuprophan (CP; 31.5% and 37.4%), and Hemophan (HP; 30.9% and 23.6%), respectively. Data from serum perfusions expressed as percent changes to sham perfusion showed that solute percent decreases were less than 10% in all materials except PVA (10-22%). PVA and CP had higher C3a, C4a, and C5a, and C3a concentration increases, and had larger suppressive effects for all three mitogen-induced mononuclear cell transformation functions (MNCTF) and concanavalin A-induced MNCTF, respectively. PVA had higher SO percent than EVAL and CP was higher than HP, despite PVA and CP having lower or comparable bulk [minus]OH percent to EVAL or HP.

  1. 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.

  2. 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).

  3. Drag and Bulk Transfer Coefficients Over Water Surfaces in Light Winds

    NASA Astrophysics Data System (ADS)

    Wei, Zhongwang; Miyano, Aiko; Sugita, Michiaki

    2016-04-01

    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.

  4. Full-solid-angle photoelectron diffraction from bulk and surface atoms of clean W(110)

    SciTech Connect

    Ynzunza, R. X.; Tober, E. D.; Palomares, F. J.; Wang, Z.; Daimon, H.; Chen, Y.; Hussain, Z.; Van Hove, M. A.; Fadley, C. S.

    1997-04-01

    The authors have studied the atomic structure of the clean W(110) surface by means of site-resolved scanned-angle W4f{sub 7/2} photoelectron diffraction (PD) data obtained over nearly the full 2{pi} solid angle above the surface. Prior to the availability of high-brightness sources such as the Advanced Light Source, such large high-resolution data sets were prohibitively time consuming to obtain. The well characterized W(110) system was used as a reference case to check the accuracy of structure determinations from such scanned-angle data via R-factor comparisons of experiment with theoretical multiple scattering calculations. The photoelectron kinetic energy of {approximately}40 eV used was also lower than in many prior PD studies, providing further challenges to theory. The influence of various non-structural theoretical input parameters (e.g., scattering phase shifts, electron inelastic attenuation length, and inner potential) was thus also assessed. A final optimized structure is presented, together with comments on the future applications of this method.

  5. 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.

  6. A theoretical and experimental evaluation of surface roughness variation in trigate metal oxide semiconductor field effect transistors

    NASA Astrophysics Data System (ADS)

    Hsieh, E. R.; Chung, Steve S.

    2016-05-01

    A gate current variation measurement method is proposed to examine the surface roughness of metal oxide semiconductor field effect transistors (MOSFETs). This gate current variation is demonstrated on the trigate structure MOSFETs. It was found that the standard deviation of oxide-thickness is proportional to the inverse of square-root of device areas, and its slope is defined as the effective surface roughness variation. In particular, for the transistors with varying fin height, this surface roughness effect aggravates with the increasing fin height. More importantly, the gate leakage at off-state, i.e., Vg = 0 V, is strongly dependent on the gate dielectric surface roughness and dominates the drain current variations. This gate leakage may serve as a quality measure of a low power and energy efficient integrated circuit, especially for the transistor with 3-dimensional gate structure. The present results provide us better understandings on an additional source of Vth fluctuations, i.e., the surface roughness variation, in addition to the random dopant fluctuation, that we are usually not noticed. In particular, this study also provides us a simple easy-to-use method for the monitoring of oxide quality in the volume production of trigate MOSFETs.

  7. Roughness of free surfaces of bulk amorphous polymers as studied by x-ray surface scattering and atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Stone, V. W.; Jonas, A. M.; Nysten, B.; Legras, R.

    1999-08-01

    The morphology of free surfaces of polyetherimide (PEI) samples has been characterized using atomic force microscopy in noncontact mode (NC-AFM), x-ray reflectivity (XRR), and x-ray diffuse scattering (XDS). PEI slabs have been prepared by molding pellets onto float glass. In order to characterize the roughness and morphology mathematically, we considered the surfaces as being self-affine with a rms roughness σ and Hurst coefficient H up to a finite correlation length ξ. NC-AFM topographs with σ=61+/-6.3 Å showed the presence of blobs on the surface having a slight tendency to form clusters. These features are reflected in the height-height correlation function which shows the presence of ``strong'' short-range (ξ1=1064 Å, H1=0.46) and ``weak'' long-range (ξ2=14537 Å, H2=0.99) correlations. The detection of the specularly reflected contribution in XRR scans only gives access to σ, the lateral fluctuations being averaged out over the coherence area. Scans in XDS include the detection of the diffuse (off-specular) scattering arising from lateral correlations in the surface fluctuations profile and are hence sensitive to σ, ξ, and H. The XDS data have been analyzed by simultaneous fits using the distorted-wave Born approximation up to the first order. Calculations were performed using previously published approximations. Best fits to the experimental data provided strongly different correlations length values (7570 Å<=ξ<=1245 Å) indicating that the estimation of the latter by XDS is somewhat ambiguous. This is in agreement with the strong discrepancy between the correlation lengths determined with x rays and NC-AFM, which can be accounted for by the limits of the perturbation theory for interfaces with high rms roughnesses.

  8. Conductivity in transparent oxide semiconductors

    NASA Astrophysics Data System (ADS)

    King, P. D. C.; Veal, T. D.

    2011-08-01

    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.

  9. Single-Crystal Semiconductors with Narrow Band Gaps for Solar Water Splitting.

    PubMed

    Wang, Tuo; Gong, Jinlong

    2015-09-01

    Solar water splitting provides a clean and renewable approach to produce hydrogen energy. In recent years, single-crystal semiconductors such as Si and InP with narrow band gaps have demonstrated excellent performance to drive the half reactions of water splitting through visible light due to their suitable band gaps and low bulk recombination. This Minireview describes recent research advances that successfully overcome the primary obstacles in using these semiconductors as photoelectrodes, including photocorrosion, sluggish reaction kinetics, low photovoltage, and unfavorable planar substrate surface. Surface modification strategies, such as surface protection, cocatalyst loading, surface energetics tuning, and surface texturization are highlighted as the solutions. PMID:26227831

  10. 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.

  11. Surface and bulk characterization of particulates in fine-coal processing

    SciTech Connect

    Narayanan, K.S.

    1989-01-01

    An attempt is made to delineate the effects of composition, chemistry and oxidation of heterogeneous coal particulates, of different ranks and origins, on their wettability and floatability. The wetting characteristics of particulate coal samples are assessed using a relatively new film flotation technique, since it characterizes the distribution of lyophobic/lyophilic sites of an assembly of coal particles as encountered in a practical processing environment. The film flotation tests yield a wetting tension distribution diagram and an average critical wetting tension ({gamma}c), which can be used as a measure of hydrophobicity. The technique has been validated by determining the {gamma}c value (26-28 mN/m) for a homogeneous paraffin wax surface using wax-coated coal and other mineral particulates. The {gamma}c values for some of the high-ash and oxidized coals samples are estimated by combining the distribution curves of a number of as received and oxidized coal samples into a single curve by a normalization procedure, since they did not yield a complete distribution curve due to their hydrophilic nature. The film flotation results are compared with micro-scale flotation results obtained with Hallimond tube and vacuum flotation test methods. The Hallimond tube experiments using methanol solutions exhibit a frothing effect at low alcohol concentration and an entrainment effect at high concentrations. Vacuum flotation experiments using salt solutions correlate well with the film flotation results. The floatability of coals decreases with increasing {gamma}c values indicating the ability of film flotation to relate to coal floatability. In conclusion, film flotation appears to be a sensitive technique to delineate the surface wettability and floatability of heterogeneous coal particulates.

  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. 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

    2016-01-01

    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). PMID:27077920

  14. Spatial and temporal variations of Rb/Sr ratios of the bulk surface sediments in Lake Qinghai

    PubMed Central

    2010-01-01

    The Rb/Sr ratios of lake sediments have been suggested as indicators of weathering intensity by increasing work. However, the geochemistry of Rb/Sr ratios of lake sediments is variable between different lakes. In this study, we investigated the spatial and temporal patterns of Rb/Sr ratios, as well as those of other major elements in surface sediments of Lake Qinghai. We find that the spatial pattern of Rb/Sr ratios of the bulk sediments correlates well with that of the mass accumulation rate, and those of the terrigenous fractions, e.g., SiO2, Ti, and Fe. The temporal variations of Rb/Sr ratios also synchronize with those of SiO2, Ti, and Fe of each individual core. These suggest that Rb/Sr ratios of the surface sediments are closely related to terrigenous input from the catchment. Two out of eight cores show similar trends between Rb/Sr ratios and precipitation indices on decadal scales; however, the other cores do not show such relationship. The result of this study suggests that physical weathering and chemical weathering in Lake Qinghai catchment have opposite influence on Rb/Sr ratios of the bulk sediments, and they compete in dominating the Rb/Sr ratios of lake sediments on different spatial and temporal scales. Therefore, it is necessary to study the geochemistry of Rb/Sr ratio of lake sediments (especially that on short term timescales) particularly before it is used as an indicator of weathering intensity of the catchment. PMID:20615264

  15. Effects of local field and inherent strain in reflectance anisotropy spectra of AIIIBV semiconductors with naturally oxidized surfaces

    NASA Astrophysics Data System (ADS)

    Berkovits, V. L.; Kosobukin, V. A.; Gordeeva, A. B.

    2015-12-01

    Reflectance anisotropy (RA) spectra of naturally oxidized (001) surfaces of GaAs and InAs crystals are measured for photon energies from 1.5 up to 5.5 eV. The differential high-accuracy RA spectra reveal features substantially different from those caused by either a reconstruction of clean surface or a built-in near-surface electric field. Models of atomic structure with anisotropic transition layers of excess arsenic atoms specific for GaAs(001)/oxide and InAs(001)/oxide interfaces are proposed. In conformity with these models, a general theory of reflectance anisotropy is developed for semiconductor/oxide interfaces within the Green's function technique. The theory takes into account the combined effect of local field due to interface dipoles and of intrinsic near-surface strain of the crystal. Measured RA spectra are analyzed in the model of valence-bond dipoles occupying a rectangular lattice in a multilayer medium. Comparing the measured and calculated spectra, we conclude that RA spectra of oxidized GaAs(001) and InAs(001) surfaces are simultaneously influenced by interface and near-surface anisotropies. The former is responsible for the broad-band spectral features which are associated with polarizability of the valence bonds attached to As atoms at the crystal/oxide interface. The near-surface anisotropy is due to inherent uniaxial straining the near-surface region of crystal. The effect of strain on RA spectra is experimentally and theoretically substantiated for GaAs crystal wafers undergone a uniaxial applied stress. Basically, this work results in the following. It establishes the physical nature of different levels of RA spectra observed in a majority of papers, but never analyzed. It demonstrates how the studied features of RA spectra could be applied for optical characterization of strained interfaces and atomic layers.

  16. 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.

  17. 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.

  18. 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. PMID:17646891

  19. 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.

  20. Surface Stress during Electro-Oxidation of Carbon Monoxide and Bulk Stress Evolution during Electrochemical Intercalation of Lithium

    NASA Astrophysics Data System (ADS)

    Mickelson, Lawrence

    2011-12-01

    This work investigates in-situ stress evolution of interfacial and bulk processes in electrochemical systems, and is divided into two projects. The first project examines the electrocapillarity of clean and CO-covered electrodes. It also investigates surface stress evolution during electro-oxidation of CO at Pt{111}, Ru/Pt{111} and Ru{0001} electrodes. The second project explores the evolution of bulk stress that occurs during intercalation (extraction) of lithium (Li) and formation of a solid electrolyte interphase during electrochemical reduction (oxidation) of Li at graphitic electrodes. Electrocapillarity measurements have shown that hydrogen and hydroxide adsorption are compressive on Pt{111}, Ru/Pt{111}, and Ru{0001}. The adsorption-induced surface stresses correlate strongly with adsorption charge. Electrocatalytic oxidation of CO on Pt{111} and Ru/Pt{111} gives a tensile surface stress. A numerical method was developed to separate both current and stress into background and active components. Applying this model to the CO oxidation signal on Ru{0001} gives a tensile surface stress and elucidates the rate limiting steps on all three electrodes. The enhanced catalysis of Ru/Pt{111} is confirmed to be bi-functional in nature: Ru provides adsorbed hydroxide to Pt allowing for rapid CO oxidation. The majority of Li-ion batteries have anodes consisting of graphite particles with polyvinylidene fluoride (PVDF) as binder. Intercalation of Li into graphite occurs in stages and produces anisotropic strains. As batteries have a fixed size and shape these strains are converted into mechanical stresses. Conventionally staging phenomena has been observed with X-ray diffraction and collaborated electrochemically with the potential. Work herein shows that staging is also clearly observed in stress. The Li staging potentials as measured by differential chronopotentiometry and stress are nearly identical. Relative peak heights of Li staging, as measured by these two

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. Investigation of the rates of surface and bulk ROS-generating reactions using indigo dye as an indicator

    NASA Astrophysics Data System (ADS)

    Anderson, Carly; Clark, Douglas; Graves, David

    2014-10-01

    We present evidence for the existence of two distinct processes that contribute to the generation of reactive oxygen and nitrogen species (RONS) in liquids exposed to cold atmospheric plasma (CAP) in air. At the plasma-liquid interface, there exists a fast surface reaction zone where RONS from the gas phase interact with species in the liquid. RONS can also be produced by ``slow'' chemical reactions in the bulk liquid, even long after plasma exposure. To separate the effects of these processes, we used indigo dye as an indicator of ROS production; specifically generation of hydroxyl radical. The rate of indigo decolorization while in direct contact with CAP is compared with the expected rate of hydroxyl radical generation at the liquid surface. When added to aqueous solutions after CAP exposure, indigo dye reacts on a time scale consistent with the production of peroxynitrous acid, ONOOH, which is known to decompose to hydroxyl radical below a pH of 6.8. In this study, the CAP used was a air corona discharge plasma run in a positive streamer mode.

  10. Adsorption and dynamics of group IV, V atoms and molecular oxygen on semiconductor group IV (0 0 1) surfaces

    NASA Astrophysics Data System (ADS)

    Afanasieva, T.

    2016-08-01

    In this review we address (1) the co-adsorption of group V (As, Sb, Bi) atoms and molecular oxygen on the Si(0 0 1) surface and (2) the adsorption and dynamics of Sb, Bi, Si and Ge ad-dimers on the Si(0 0 1) and Ge(0 0 1) surfaces. The adsorption and diffusion processes of group IV and V atoms on the (0 0 1) surfaces of group IV semiconductor surfaces have been studied using multi-configuration self-consistent field methods and density functional theory calculations. Results obtained by various types of first-principle total energy calculations are mutually compared and discussed. Our results demonstrate the capability of these quantum chemistry methods to provide relevant and reliable information on the interaction between adsorbate and semiconductor surfaces.

  11. Adsorption and dynamics of group IV, V atoms and molecular oxygen on semiconductor group IV (0 0 1) surfaces.

    PubMed

    Afanasieva, T

    2016-08-10

    In this review we address (1) the co-adsorption of group V (As, Sb, Bi) atoms and molecular oxygen on the Si(0 0 1) surface and (2) the adsorption and dynamics of Sb, Bi, Si and Ge ad-dimers on the Si(0 0 1) and Ge(0 0 1) surfaces. The adsorption and diffusion processes of group IV and V atoms on the (0 0 1) surfaces of group IV semiconductor surfaces have been studied using multi-configuration self-consistent field methods and density functional theory calculations. Results obtained by various types of first-principle total energy calculations are mutually compared and discussed. Our results demonstrate the capability of these quantum chemistry methods to provide relevant and reliable information on the interaction between adsorbate and semiconductor surfaces. PMID:27299666

  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. 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. PMID:24590161

  14. Determination of Concentration of Amphiphilic Polymer Molecules on the Surface of Encapsulated Semiconductor Nanocrystals.

    PubMed

    Fedosyuk, Aleksandra; Radchanka, Aliaksandra; Antanovich, Artsiom; Prudnikau, Anatol; Kvach, Maksim V; Shmanai, Vadim; Artemyev, Mikhail

    2016-03-01

    We present a method for the determination of the average number of polymer molecules on the surface of A(II)B(VI) luminescent core-shell nanocrystals (CdSe/ZnS, ZnSe/ZnS quantum dots, and CdS/ZnS nanorods) encapsulated with amphiphilic polymer. Poly(maleic anhydride-alt-1-tetradecene) (PMAT) was quantitatively labeled with amino-derivative of fluorescein and the average amount of PMAT molecules per single nanocrystal was determined using optical absorption of the dye in the visible spectral range. The average amount of PMAT molecules grows linearly with the surface area of all studied nanocrystals. However, the surface density of the monomer units increases nonlinearly with the surface area, because of the increased competition between PMAT molecules for Zn-hexanethiol surface binding sites. The average value of zeta potential (ζ = -35 mV) was found to be independent of the size, shape, and chemical composition of nanocrystals at fixed buffer parameters (carbonate-bicarbonate buffer, pH 9.5 and 5 mM ionic strength). This finding is expected to be useful for the determination of the surface density of remaining carboxyl groups in PMAT-encapsulated nanocrystals. PMID:26866303

  15. Isotopically engineered semiconductors

    NASA Astrophysics Data System (ADS)

    Haller, E. E.

    1995-04-01

    Scientific interest, technological promise, and increased availability of highly enriched isotopes have led to a sharp rise in the number of experimental and theoretical studies with isotopically controlled semiconductor crystals. This review of mostly recent activities begins with an introduction to some past classical experiments which have been performed on isotopically controlled semiconductors. A review of the natural isotopic composition of the relevant elements follows. Some materials aspects resulting in part from the high costs of enriched isotopes are discussed next. Raman spectroscopy studies with a number of isotopically pure and deliberately mixed Ge bulk crystals show that the Brillouin-zone-center optical phonons are not localized. Their lifetime is almost independent of isotopic disorder, leading to homogeneous Raman line broadening. Studies with short period isotope superlattices consisting of alternating layers of n atomic planes of 70Ge and 74Ge reveal a host of zone-center phonons due to Brillouin-zone folding. At n≳40 one observes two phonon lines at frequencies corresponding to the bulk values of the two isotopes. In natural diamond, isotope scattering of the low-energy phonons, which are responsible for the thermal conductivity, is very strongly affected by small isotope disorder. Isotopically pure 12C diamond crystals exhibit thermal conductivities as high as 410 W cm-1 K-1 at 104 K, leading to projected values of over 2000 W cm-1 K-1 near 80 K. The changes in phonon properties with isotopic composition also weakly affect the electronic band structures and the lattice constants. The latter isotope dependence is most relevant for future standards of length based on crystal lattice constants. Capture of thermal neutrons by isotope nuclei followed by nuclear decay produces new elements, resulting in a very large number of possibilities for isotope selective doping of semiconductors. This neutron transmutation of isotope nuclei, already used

  16. 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

  17. Self-assembled bifunctional surface mimics an enzymatic and templating protein for the synthesis of a metal oxide semiconductor.

    PubMed

    Kisailus, David; Truong, Quyen; Amemiya, Yosuke; Weaver, James C; Morse, Daniel E

    2006-04-11

    The recent discovery and characterization of silicatein, a mineral-synthesizing enzyme that assembles to form the filamentous organic core of the glassy skeletal elements (spicules) of a marine sponge, has led to the development of new low-temperature synthetic routes to metastable semiconducting metal oxides. These protein filaments were shown in vitro to catalyze the hydrolysis and structurally direct the polycondensation of metal oxides at neutral pH and low temperature. Based on the confirmation of the catalytic mechanism and the essential participation of specific serine and histidine residues (presenting a nucleophilic hydroxyl and a nucleophilicity-enhancing hydrogen-bonding imidazole nitrogen) in silicatein's catalytic active site, we therefore sought to develop a synthetic mimic that provides both catalysis and the surface determinants necessary to template and structurally direct heterogeneous nucleation through condensation. Using lithographically patterned poly(dimethylsiloxane) stamps, bifunctional self-assembled monolayer surfaces containing the essential catalytic and templating elements were fabricated by using alkane thiols microcontact-printed on gold substrates. The interface between chemically distinct self-assembled monolayer domains provided the necessary juxtaposition of nucleophilic (hydroxyl) and hydrogen-bonding (imidazole) agents to catalyze the hydrolysis of a gallium oxide precursor and template the condensed product to form gallium oxohydroxide (GaOOH) and the defect spinel, gamma-gallium oxide (gamma-Ga(2)O(3)). Using this approach, the production of patterned substrates for catalytic synthesis and templating of semiconductors for device applications can be envisioned. PMID:16585518

  18. The surface science of semiconductor processing: gate oxides in the ever-shrinking transistor

    NASA Astrophysics Data System (ADS)

    Weldon, Marcus K.; Queeney, K. T.; Eng, Joseph, Jr.; Raghavachari, Krishnan; Chabal, Yves J.

    2002-03-01

    Due to the extreme dimensional scaling required by Moore's law, Si device technology is increasingly subject to the limitations imposed by the intrinsic physics and chemistry of surfaces and interfaces. In this review we outline ways in which fundamental surface science has contributed an understanding to the microelectronics community and discuss areas where surface science may impact future development. We focus on the example of silicon dioxide (SiO2) on silicon, since this interface lies at the heart of modern transistor technology and has therefore received a great deal of attention in recent years. We highlight a number of experimental and theoretical approaches that have elucidated the fundamental phenomena associated with the formation and evolution of this critical technological interface, revealing the remarkable interdependence of science and technology that now characterizes this rapidly evolving industry.

  19. Vertical cavity surface-emitting semiconductor lasers with injection laser pumping

    NASA Astrophysics Data System (ADS)

    McDaniel, D. L., Jr.; McInerney, J. G.; Raja, M. Y. A.; Schaus, C. F.; Brueck, S. R. J.

    1990-05-01

    Continuous-wave GaAs/GaAlAs edge-emitting diode lasers were used to pump GaAs/AlGaAs and InGaAs/AlGaAs vertical cavity surface-emitting lasers (VCSELs) with resonant periodic gain (RPG) at room temperature. Pump threshold as low as 11 mW, output powers as high as 27 mW at 850 nm, and external differential quantum efficiencies of about 70 percent were observed in GaAs/AlGaAs surface -emitters; spectral brightness 22 times that of the pump laser was also observed. Output powers as high as 85 mW at 950 nm and differential quantum efficiencies of up to 58 percent were recorded for the InGaAs surface-emitting laser. This is the highest quasi-CW output power ever reported for any RPG VCSEL, and the first time such a device has been pumped using an injection laser diode.

  20. Terahertz generation from electron- and neutron-irradiated semiconductor crystal surfaces

    NASA Astrophysics Data System (ADS)

    Bereznaya, S. A.; Korotchenko, Z. V.; Redkin, R. A.; Sarkisov, S. Yu.; Brudnyi, V. N.; Kosobutsky, A. V.; Atuchin, V. V.

    2016-07-01

    Terahertz generation from the InP, InSb, GaAs and GaSe crystal surfaces excitated by femtosecond laser pulses has been studied. The terahertz spectra emitted from the native crystals and the crystals previously irradiated by high-energy neutrons or electrons have been recorded. Also, a simulation of the terahertz emission process has been performed. A weak terahertz signal generated from the GaSe native surface has been registered. In the case of electron-irradiated GaSe, the signal is increased several fold because of increased laser radiation absorption.