Microfour-point probe for studying electronic transport through surface states

DEFF Research Database (Denmark)

Petersen, Christian Leth; Grey, Francois; Shiraki, I.

2000-01-01

Microfour-point probes integrated on silicon chips have been fabricated with probe spacings in the range 4-60 mum. They provide a simple robust device for electrical transport measurements at surfaces, bridging the gap between conventional macroscopic four-point probes and scanning tunneling...... transport through surface states, which is not observed on the macroscopic scale, presumably due to scattering at atomic steps. (C) 2000 American Institute of Physics....

Topological surface states scattering in antimony

KAUST Repository

Narayan, Awadhesh

2012-11-05

In this work we study the topologically protected states of the Sb(111) surface by using ab initio transport theory. In the presence of a strong surface perturbation we obtain standing-wave states resulting from the superposition of spin-polarized surface states. By Fourier analysis, we identify the underlying two dimensional scattering processes and the spin texture. We find evidence of resonant transmission across surface barriers at quantum well state energies and evaluate their lifetimes. Our results are in excellent agreement with experimental findings. We also show that despite the presence of a step edge along a different high-symmetry direction, the surface states exhibit unperturbed transmission around the Fermi energy for states with near to normal incidence. © 2012 American Physical Society.

Topological surface states scattering in antimony

KAUST Repository

Narayan, Awadhesh; Rungger, Ivan; Sanvito, Stefano

2012-01-01

In this work we study the topologically protected states of the Sb(111) surface by using ab initio transport theory. In the presence of a strong surface perturbation we obtain standing-wave states resulting from the superposition of spin-polarized surface states. By Fourier analysis, we identify the underlying two dimensional scattering processes and the spin texture. We find evidence of resonant transmission across surface barriers at quantum well state energies and evaluate their lifetimes. Our results are in excellent agreement with experimental findings. We also show that despite the presence of a step edge along a different high-symmetry direction, the surface states exhibit unperturbed transmission around the Fermi energy for states with near to normal incidence. © 2012 American Physical Society.

Surface states in photonic crystals

Directory of Open Access Journals (Sweden)

Vojtíšek P.

2013-05-01

Full Text Available Among many unusual and interesting physical properties of photonic crystals (PhC, in recent years, the propagation of surface electromagnetic waves along dielectric PhC boundaries have attracted considerable attention, also in connection to their possible applications. Such surfaces states, produced with the help of specialized defects on PhC boundaries, similarly to surfaces plasmons, are localized surfaces waves and, as such, can be used in various sensing applications. In this contribution, we present our recent studies on numerical modelling of surface states (SS for all three cases of PhC dimensionality. Simulations of these states were carried out by the use of plane wave expansion (PWE method via the MIT MPB package.

Coherent states and rational surfaces

International Nuclear Information System (INIS)

Brody, Dorje C; Graefe, Eva-Maria

2010-01-01

The state spaces of generalized coherent states associated with special unitary groups are shown to form rational curves and surfaces in the space of pure states. These curves and surfaces are generated by the various Veronese embeddings of the underlying state space into higher dimensional state spaces. This construction is applied to the parameterization of generalized coherent states, which is useful for practical calculations, and provides an elementary combinatorial approach to the geometry of the coherent state space. The results are extended to Hilbert spaces with indefinite inner products, leading to the introduction of a new kind of generalized coherent states.

Probing spin helical surface states in topological HgTe nanowires

Science.gov (United States)

Ziegler, J.; Kozlovsky, R.; Gorini, C.; Liu, M.-H.; Weishäupl, S.; Maier, H.; Fischer, R.; Kozlov, D. A.; Kvon, Z. D.; Mikhailov, N.; Dvoretsky, S. A.; Richter, K.; Weiss, D.

2018-01-01

Nanowires with helical surface states represent key prerequisites for observing and exploiting phase-coherent topological conductance phenomena, such as spin-momentum locked quantum transport or topological superconductivity. We demonstrate in a joint experimental and theoretical study that gated nanowires fabricated from high-mobility strained HgTe, known as a bulk topological insulator, indeed preserve the topological nature of the surface states, that moreover extend phase-coherently across the entire wire geometry. The phase-coherence lengths are enhanced up to 5 μ m when tuning the wires into the bulk gap, so as to single out topological transport. The nanowires exhibit distinct conductance oscillations, both as a function of the flux due to an axial magnetic field and of a gate voltage. The observed h /e -periodic Aharonov-Bohm-type modulations indicate surface-mediated quasiballistic transport. Furthermore, an in-depth analysis of the scaling of the observed gate-dependent conductance oscillations reveals the topological nature of these surface states. To this end we combined numerical tight-binding calculations of the quantum magnetoconductance with simulations of the electrostatics, accounting for the gate-induced inhomogeneous charge carrier densities around the wires. We find that helical transport prevails even for strongly inhomogeneous gating and is governed by flux-sensitive high-angular momentum surface states that extend around the entire wire circumference.

Surface-bound states in nanodiamonds

Science.gov (United States)

Han, Peng; Antonov, Denis; Wrachtrup, Jörg; Bester, Gabriel

2017-05-01

We show via ab initio calculations and an electrostatic model that the notoriously low, but positive, electron affinity of bulk diamond becomes negative for hydrogen passivated nanodiamonds and argue that this peculiar situation (type-II offset with a vacuum level at nearly midgap) and the three further conditions: (i) a surface dipole with positive charge on the outside layer, (ii) a spherical symmetry, and (iii) a dielectric mismatch at the surface, results in the emergence of a peculiar type of surface state localized just outside the nanodiamond. These states are referred to as "surface-bound states" and have consequently a strong environmental sensitivity. These type of states should exist in any nanostructure with negative electron affinity. We further quantify the band offsets of different type of nanostructures as well as the exciton binding energy and contrast the results with results for "conventional" silicon quantum dots.

Thermoelectric Transport by Surface States in Bi2Se3-Based Topological Insulator Thin Films

International Nuclear Information System (INIS)

Li Long-Long; Xu Wen

2015-01-01

We develop a tractable theoretical model to investigate the thermoelectric (TE) transport properties of surface states in topological insulator thin films (TITFs) of Bi 2 Se 3 at room temperature. The hybridization between top and bottom surface states in the TITF plays a significant role. With the increasing hybridization-induced surface gap, the electrical conductivity and electron thermal conductivity decrease while the Seebeck coefficient increases. This is due to the metal-semiconductor transition induced by the surface-state hybridization. Based on these TE transport coefficients, the TE figure-of-merit ZT is evaluated. It is shown that ZT can be greatly improved by the surface-state hybridization. Our theoretical results are pertinent to the exploration of the TE transport properties of surface states in TITFs and to the potential application of Bi 2 Se 3 -based TITFs as high-performance TE materials and devices. (paper)

Surface states in crystals with low-index surfaces

International Nuclear Information System (INIS)

Wang Hui-Ping; Tao Rui-Bao

2015-01-01

For most of the conventional crystals with low-index surfaces, the hopping between the nearest neighbor (1NN) crystal planes (CPs) is dominant and the ones from the nNN (2 ≤ n < ∞) CPs are relatively weak, considered as small perturbations. The recent theoretical analysis [1] has demonstrated the absence of surface states at the level of the hopping approximation between the 1NN CPs when the original infinite crystal has the geometric reflection symmetry (GRS) for each CP. Meanwhile, based on the perturbation theory, it has also been shown that small perturbations from the hopping between the nNN (2 ≤ n < ∞) CPs and surface relaxation have no impact on the above conclusion. However, for the crystals with strong intrinsic spin-orbit coupling (SOC), the dominant terms of intrinsic SOC associate with two 1NN bond hoppings. Thus SOC will significantly contribute the hoppings from the 1NN and/or 2NN CPs except the ones within each CP. Here, we will study the effect of the hopping between the 2NN CPs on the surface states in model crystals with three different type structures (Type I: “···–P–P–P–P–···”, Type II: “···–P–Q–P–Q–···” and Type III: “···–P=Q–P=Q–···” where P and Q indicate CPs and the signs “−” and “=” mark the distance between the 1NN CPs). In terms of analytical and numerical calculations, we study the behavior of surface states in three types after the symmetric/asymmetric hopping from the 2NN CPs is added. We analytically prove that the symmetric hopping from the 2NN CPs cannot induce surface states in Type I when each CP has only one electron mode. The numerical calculations also provide strong support for the conclusion, even up to 5NN. However, in general, the coupling from the 2NN CPs (symmetric and asymmetric) is favorable to generate surface states except Type I with single electron mode only. (paper)

INTERNAL STRUCTURE OF ASTEROIDS HAVING SURFACE SHEDDING DUE TO ROTATIONAL INSTABILITY

Energy Technology Data Exchange (ETDEWEB)

Hirabayashi, Masatoshi [Research Associate, Colorado Center for Astrodynamics Research, Aerospace Engineering Sciences, University of Colorado Boulder (United States); Sánchez, Diego Paul [Senior Research Associate, Colorado Center for Astrodynamics Research, Aerospace Engineering Sciences, University of Colorado Boulder (United States); Scheeres, Daniel J., E-mail: masatoshi.hirabayashi@colorado.edu [Richard Seebass Chair, Professor, Colorado Center for Astrodynamics Research, Aerospace Engineering Sciences, University of Colorado Boulder (United States)

2015-07-20

Surface shedding of an asteroid is a failure mode where surface materials fly off due to strong centrifugal forces beyond the critical spin period, while the internal structure does not deform significantly. This paper proposes a possible structure of an asteroid interior that leads to surface shedding due to rapid rotation rates. A rubble pile asteroid is modeled as a spheroid composed of a surface shell and a concentric internal core, the entire assembly called the test body. The test body is assumed to be uniformly rotating around a constant rotation axis. We also assume that while the bulk density and the friction angle are constant, the cohesion of the surface shell is different from that of the internal core. First, developing an analytical model based on limit analysis, we provide the upper and lower bounds for the actual surface shedding condition. Second, we use a Soft-sphere Discrete Element Method (SSDEM) to study dynamical deformation of the test body due to a quasi-static spin-up. In this paper we show the consistency of both approaches. Additionally, the SSDEM simulations show that the initial failure always occurs locally and not globally. In addition, as the core becomes larger, the size of lofted components becomes smaller. These results imply that if there is a strong core in a progenitor body, surface shedding is the most likely failure mode.

INTERNAL STRUCTURE OF ASTEROIDS HAVING SURFACE SHEDDING DUE TO ROTATIONAL INSTABILITY

International Nuclear Information System (INIS)

Hirabayashi, Masatoshi; Sánchez, Diego Paul; Scheeres, Daniel J.

2015-01-01

Surface shedding of an asteroid is a failure mode where surface materials fly off due to strong centrifugal forces beyond the critical spin period, while the internal structure does not deform significantly. This paper proposes a possible structure of an asteroid interior that leads to surface shedding due to rapid rotation rates. A rubble pile asteroid is modeled as a spheroid composed of a surface shell and a concentric internal core, the entire assembly called the test body. The test body is assumed to be uniformly rotating around a constant rotation axis. We also assume that while the bulk density and the friction angle are constant, the cohesion of the surface shell is different from that of the internal core. First, developing an analytical model based on limit analysis, we provide the upper and lower bounds for the actual surface shedding condition. Second, we use a Soft-sphere Discrete Element Method (SSDEM) to study dynamical deformation of the test body due to a quasi-static spin-up. In this paper we show the consistency of both approaches. Additionally, the SSDEM simulations show that the initial failure always occurs locally and not globally. In addition, as the core becomes larger, the size of lofted components becomes smaller. These results imply that if there is a strong core in a progenitor body, surface shedding is the most likely failure mode

An Information Retrieval Approach for Robust Prediction of Road Surface States.

Science.gov (United States)

Park, Jae-Hyung; Kim, Kwanho

2017-01-28

Recently, due to the increasing importance of reducing severe vehicle accidents on roads (especially on highways), the automatic identification of road surface conditions, and the provisioning of such information to drivers in advance, have recently been gaining significant momentum as a proactive solution to decrease the number of vehicle accidents. In this paper, we firstly propose an information retrieval approach that aims to identify road surface states by combining conventional machine-learning techniques and moving average methods. Specifically, when signal information is received from a radar system, our approach attempts to estimate the current state of the road surface based on the similar instances observed previously based on utilizing a given similarity function. Next, the estimated state is then calibrated by using the recently estimated states to yield both effective and robust prediction results. To validate the performances of the proposed approach, we established a real-world experimental setting on a section of actual highway in South Korea and conducted a comparison with the conventional approaches in terms of accuracy. The experimental results show that the proposed approach successfully outperforms the previously developed methods.

ANALYSES OF ROCK SURFACE COLOUR CHANGES DUE TO WEATHERING

OpenAIRE

GOKAY, Mehmet Kemal

2018-01-01

Description parameters of rock masses and minerals include their colours as well. Colours appear in daylight for surfaced rock masses are changing slightly due to weathering layers which have been covering its surface gradually. Healthy human eyes can manage to differentiate visible light spectrum to identify colours of substances including rock masses. Then visible blackish colours of magnetite minerals, reddish colours of Terra- Rosa soils, greenish colours of weathered copper ore, pure whi...

ANALYSES OF ROCK SURFACE COLOUR CHANGES DUE TO WEATHERING

OpenAIRE

GÖKAY, Mehmet Kemal

2018-01-01

Description parameters of rock masses and minerals include their colours as well. Colours appear in daylight for surfaced rock masses are changing slightly due to weathering layers which have been covering its surface gradually. Healthy human eyes can manage to differentiate visible spectrum to identify the colours of substance including rock masses. Then visible blackish colours of magnetite minerals, reddish colours of Terra- Rosa soils, greenish colours of weathered copper ore, pure white ...

Surface changes of poly-L-lactic acid due to annealing

Science.gov (United States)

Juřík, P.; Michaljaničová, I.; Slepička, P.; Kolskáa, Z.; Švorčík, V.

2017-11-01

Surface modifications are very important part of both current cutting-edge research and modern manufacturing. Our research is focused on poly-L-lactic acid, which is biocompatible and biodegradable polymer that offers applications in modern medicine. We observed morphological changes of the surface of metalized samples due to annealing and studied effect of modifications on total surface area and pore surface and volume. We observed that annealing of non-metalized samples had most pronounced effect up to the 70°C, after which all observed parameters dropped significantly. Metallization has changed behaviour of the samples significantly and resulted in generally lower surface area and porosity when compared to non-metalized samples.

Near-Field Spectral Effects due to Electromagnetic Surface Excitations

OpenAIRE

Shchegrov , Andrei ,; Joulain , Karl; Carminati , Rémi; Greffet , Jean-Jacques

2000-01-01

International audience; We demonstrate theoretically that the spectra of electromagnetic emission of surface systems can display remarkable differences in the near and the far zones. The spectral changes occur due to the loss of evanescent modes and are especially pronounced for systems which support surface waves. PACS numbers: 78.20. – e, 05.40. – a, 44.40. + a, 87.64.Xx Spectroscopy of electromagnetic radiation is perhaps the most powerful exploration tool employed in natural sciences: ast...

Surface-hopping trajectories for OH(A{sup 2}Σ{sup +}) + Kr: Extension to the 1A″ state

Energy Technology Data Exchange (ETDEWEB)

Perkins, T.; McCrudden, G.; Brouard, M., E-mail: mark.brouard@chem.ox.ac.uk [The Department of Chemistry, The Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ (United Kingdom); Herráez-Aguilar, D.; Aoiz, F.J., E-mail: aoiz@quim.ucm.es [Departamento de Química Física, Facultad de Química, Universidad Complutense, 28040 Madrid (Spain); Kłos, J., E-mail: jklos@umd.edu [Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742 (United States)

2015-04-14

We present a new trajectory surface hopping study of the rotational energy transfer and collisional quenching of electronically excited OH(A) radicals by Kr. The trajectory surface hopping calculations include both electronic coupling between the excited 2{sup 2}A′ and ground 1{sup 2}A′ electronic states, as well as Renner-Teller and Coriolis roto-electronic couplings between the 1{sup 2}A′ and 1{sup 2}A″, and the 2{sup 2}A′ and 1{sup 2}A″ electronic states, respectively. The new calculations are shown to lead to a noticeable improvement in the agreement between theory and experiment in this system, particularly with respect to the OH(X) rotational and Λ-doublet quantum state populations, compared with a simpler two-state treatment, which only included the electronic coupling between the 2{sup 2}A′ and 1{sup 2}A′ states. Discrepancies between the predictions of theory and experiment do however remain, and could arise either due to errors in the potential energy surfaces and couplings employed, or due to the limitations in the classical treatment of non-adiabatic effects.

Protection of surface states in topological nanoparticles

Science.gov (United States)

Siroki, Gleb; Haynes, Peter D.; Lee, Derek K. K.; Giannini, Vincenzo

2017-07-01

Topological insulators host protected electronic states at their surface. These states show little sensitivity to disorder. For miniaturization one wants to exploit their robustness at the smallest sizes possible. This is also beneficial for optical applications and catalysis, which favor large surface-to-volume ratios. However, it is not known whether discrete states in particles share the protection of their continuous counterparts in large crystals. Here we study the protection of the states hosted by topological insulator nanoparticles. Using both analytical and tight-binding simulations, we show that the states benefit from the same level of protection as those on a planar surface. The results hold for many shapes and sustain surface roughness which may be useful in photonics, spectroscopy, and chemistry. They complement past studies of large crystals—at the other end of possible length scales. The protection of the nanoparticles suggests that samples of all intermediate sizes also possess protected states.

Surface states in an external electric field

International Nuclear Information System (INIS)

Steslicka, M.

1975-10-01

Under conditions typical for field ion microscopy, true surface states can exist. Their shift towards higher energies can be quite significant and, moreover, additional surface levels at still higher energies can appear. The latter can play an important role in the process of tunneling of image gas electrons into surface states

Ion bombardment effect on surface state of metal

International Nuclear Information System (INIS)

Vaulin, E.P.; Georgieva, N.E.; Martynenko, T.P.

1990-01-01

The effect of slow argon ion bombardment on the surface microstructure of polycrystalline copper as well as the effect of surface state on sputtering of D-16 polycrystalline alloy are experimentally studied. Reduction of copper surface roughness is observed. It is shown that the D-16 alloy sputtering coefficient is sensitive to the surface state within the limits of the destructed surface layer

Surface-electronic-state effects in electron emission from the Be(0001) surface

International Nuclear Information System (INIS)

Archubi, C. D.; Gravielle, M. S.; Silkin, V. M.

2011-01-01

We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

Surface-electronic-state effects in electron emission from the Be(0001) surface

Energy Technology Data Exchange (ETDEWEB)

Archubi, C. D. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Gravielle, M. S. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Silkin, V. M. [Donostia International Physics Center, E-20018 San Sebastian (Spain); Departamento de Fisica de Materiales, Facultad de Ciencias Quimicas, Universidad del Pais Vasco, Apartado 1072, E-20080 San Sebastian (Spain); IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao (Spain)

2011-07-15

We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

Environmental pollution due to gas flaring at Oyigbo area of Rivers State

International Nuclear Information System (INIS)

Avwiri, G. O.; Ebeniro, J. O.

1996-01-01

Environmental degradation due to oil activities in the oil rich Niger Delta of Nigeria is daily approaching a non-tolerance level. Pollutants come from various aspects of operation ranging from seismic operations through drilling to the refinery stage. Gas flared daily by Oil Companies constitute a major health hazard in this country. Environmental pollution due to gas flaring at Oyigbo area of Rivers State is hereby reported. Surface temperature-distance variations were investigated for both dry (March) and rainy (June) seasons. Physical and chemical properties of the rainwater from the areas were also measured and analysed. The results show a surface temperature elevation of about 4.1 Celsius above the mean normal diurnal temperature within a 3.00 km. radius. An average pH 4.25 was recorded thus showing the acidic nature of the environmental rainwater from the area. All other measured parameters showed serious deviations from standards. This temperature elevation and increased acidity of the rainwater have enormous influence on socio-economic lives and the activities of the populace especially on their source of income which is mainly small scale farming. It is therefore necessary that Government agencies empowered to monitor environment especially FEPA should implement all the existing legislation on gas flaring and be more involved in the design and location of gas flaring stacks. These stacks should be located at least 2 km. from towns and villages

Quantum beats from the coherent interaction of hole states with surface state in near-surface quantum well

Energy Technology Data Exchange (ETDEWEB)

Khan, Salahuddin; Jayabalan, J., E-mail: jjaya@rrcat.gov.in; Chari, Rama; Pal, Suparna [Laser Physics Applications Section, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Porwal, Sanjay; Sharma, Tarun Kumar; Oak, S. M. [Semiconductor Physics and Devices Lab., Solid State Laser Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

2014-08-18

We report tunneling assisted beating of carriers in a near-surface single GaAsP/AlGaAs quantum well using transient reflectivity measurement. The observed damped oscillating signal has a period of 120 ± 6 fs which corresponds to the energy difference between lh1 and hh2 hole states in the quantum well. Comparing the transient reflectivity signal at different photon energies and with a buried quantum well sample, we show that the beating is caused by the coherent coupling between surface state and the hole states (lh1 and hh2) in the near-surface quantum well. The dependence of decay of coherence of these tunneling carriers on the excitation fluence is also reported. This observation on the coherent tunneling of carrier is important for future quantum device applications.

Quantum beats from the coherent interaction of hole states with surface state in near-surface quantum well

International Nuclear Information System (INIS)

Khan, Salahuddin; Jayabalan, J.; Chari, Rama; Pal, Suparna; Porwal, Sanjay; Sharma, Tarun Kumar; Oak, S. M.

2014-01-01

We report tunneling assisted beating of carriers in a near-surface single GaAsP/AlGaAs quantum well using transient reflectivity measurement. The observed damped oscillating signal has a period of 120 ± 6 fs which corresponds to the energy difference between lh1 and hh2 hole states in the quantum well. Comparing the transient reflectivity signal at different photon energies and with a buried quantum well sample, we show that the beating is caused by the coherent coupling between surface state and the hole states (lh1 and hh2) in the near-surface quantum well. The dependence of decay of coherence of these tunneling carriers on the excitation fluence is also reported. This observation on the coherent tunneling of carrier is important for future quantum device applications.

Surface states and spectra

International Nuclear Information System (INIS)

Jaksic, V.; Last, Y.; California Inst. of Tech., Pasadena, CA

2001-01-01

Let Z + d+1 =Z d x Z + , let H 0 be the discrete Laplacian on the Hilbert space l 2 (Z + d+1 ) with a Dirichlet boundary condition, and let V be a potential supported on the boundary ∂Z + d+1 . We introduce the notions of surface states and surface spectrum of the operator H=H 0 +V and explore their properties. Our main result is that if the potential V is random and if the disorder is either large or small enough, then in dimension two H has no surface spectrum on σ(H 0 ) with probability one. To prove this result we combine Aizenman-Molchanov theory with techniques of scattering theory. (orig.)

On surface states and star-subalgebras in string field theory

Energy Technology Data Exchange (ETDEWEB)

Fuchs, Ehud [Max Planck Insitut fuer Gravitationsphysik, Albert Einstein Institut, 14476 Golm (Germany); Kroyter, Michael [School of Physics and Astronomy, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Ramat Aviv, 69978 (Israel)]. E-mail: mikroyt@post.tau.ac.il

2004-10-01

We elaborate on the relations between surface states and squeezed states. First, we investigate two different criteria for determining whether a matter sector squeezed state is also a surface state and show that the two criteria are equivalent. Then, we derive similar criteria for the ghost sector. Next, we refine the criterion for determining whether a surface state is in H{sub k}{sup 2}, the subalgebra of squeezed states obeying [S,K{sub 1}{sup 2}]=0. This enables us to find all the surface states of the H{sub k}{sup 2} subalgebra, and show that it consists only of wedge states and (hybrid) butterflies. Finally, we investigate generalizations of this criterion and find an infinite family of surface states subalgebras, whose surfaces are described using a 'generalized Schwarz-Christoffel' mapping. (author)

Weak antilocalization effect due to topological surface states in Bi2Se2.1Te0.9

Science.gov (United States)

Shrestha, K.; Graf, D.; Marinova, V.; Lorenz, B.; Chu, C. W.

2017-10-01

We have investigated the weak antilocalization (WAL) effect in the p-type Bi2Se2.1Te0.9 topological system. The magnetoconductance shows a cusp-like feature at low magnetic fields, indicating the presence of the WAL effect. The WAL curves measured at different tilt angles merge together when they are plotted as a function of the normal field components, showing that surface states dominate the magnetoconductance in the Bi2Se2.1Te0.9 crystal. We have calculated magnetoconductance per conduction channel and applied the Hikami-Larkin-Nagaoka formula to determine the physical parameters that characterize the WAL effect. The number of conduction channels and the phase coherence length do not change with temperature up to T = 5 K. In addition, the sample shows a large positive magnetoresistance that reaches 1900% under a magnetic field of 35 T at T = 0.33 K with no sign of saturation. The magnetoresistance value decreases with both increasing temperature and tilt angle of the sample surface with respect to the magnetic field. The large magnetoresistance of topological insulators can be utilized in future technology such as sensors and memory devices.

Research of state of metal welded joint by deformation and corrosion surface projection parameters

Directory of Open Access Journals (Sweden)

Demchenko Maria Vyacheslavovna

2017-10-01

Full Text Available At industrial enterprises in building structures and equipment one can see corrosion damage, as well as damage accumulated during operation period. The areas of stress concentration are welded joints as their structure is heterogeneous. From the point of view of the scale hierarchy, the welded joint represents the welded and base metal zones at the meso-macrolevel, the weld zone, the thermal zone, the base metal at the micro-mesolevel, the grain constituents at the nano-microlevel. Borders are the stress concentrators at different scale levels, thus they becomes the most dangerous places of metal structure. Modeling by the molecular dynamics method at the atomic level has shown nanocracks initiation in triple junctions of grain boundaries and on the ledges of the grain boundaries. Due to active development of nanotechnology, it became possible to evaluate the state of the weld metal at the nanoscale, where irreversible changes take place from the very beginning. Existing methods of nondestructive testing can detect damage only at the meso- and macrolevel. Modern equipment makes it possible to use other methods of control and approaches. For example, according to GOST R55046-2012 and R57223-2016, the analysis of the parameters of the surface projection deformation performed by confocal laser scanning microscopy should be taken into account when the evaluation of state of metal pipelines is carried out. However, there is a problem to monitore it due to various factors affecting the surface during operation. The paper proposes an additional method to estimate the state of weld metal at any stage of deformation that uses 3D analysis of the parameters of the «artificial» corrosion relief of surface. During the operation period changes in the stress-strain state and structure of the metal take place, as the result the character and depth of etching of the grains of the structural components and their boundaries change too. Evaluation of the

InN/GaN quantum dot superlattices: Charge-carrier states and surface electronic structure

Science.gov (United States)

Kanouni, F.; Brezini, A.; Djenane, M.; Zou, Q.

2018-03-01

We have theoretically investigated the electron energy spectra and surface states energy in the three dimensionally ordered quantum dot superlattices (QDSLs) made of InN and GaN semiconductors. The QDSL is assumed in this model to be a matrix of GaN containing cubic dots of InN of the same size and uniformly distributed. For the miniband’s structure calculation, the resolution of the effective mass Schrödinger equation is done by decoupling it in the three directions within the framework of Kronig-Penney model. We found that the electrons minibands in infinite ODSLs are clearly different from those in the conventional quantum-well superlattices. The electrons localization and charge-carrier states are very dependent on the quasicrystallographic directions, the size and the shape of the dots which play a role of the artificial atoms in such QD supracrystal. The energy spectrum of the electron states localized at the surface of InN/GaN QDSL is represented by Kronig-Penney like-model, calculated via direct matching procedure. The calculation results show that the substrate breaks symmetrical shape of QDSL on which some localized electronic surface states can be produced in minigap regions. Furthermore, we have noticed that the surface states degeneracy is achieved in like very thin bands located in the minigaps, identified by different quantum numbers nx, ny, nz. Moreover, the surface energy bands split due to the reduction of the symmetry of the QDSL in z-direction.

Rashba split surface states in BiTeBr

International Nuclear Information System (INIS)

Eremeev, S V; Rusinov, I P; Nechaev, I A; Chulkov, E V

2013-01-01

Within density functional theory, we study the bulk band structure and surface states of BiTeBr. We consider both ordered and disordered phases, which differ in atomic order in the Te–Br sublattice. On the basis of relativistic ab initio calculations, we show that the ordered BiTeBr is energetically preferable as compared with the disordered one. We demonstrate that both Te- and Br-terminated surfaces of the ordered BiTeBr hold surface states with a giant spin–orbit splitting. The Te-terminated surface-state spin splitting has Rashba-type behavior with the coupling parameter α R ∼ 2 eVÅ. (paper)

Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness

International Nuclear Information System (INIS)

Kaushal, Ashok K.; Mullick, Shanta; Ahluwalia, P. K.

2011-01-01

Surface relaxation and electronic DOS's of Pt(111) surface have been studied with varying slab thickness using ab-initio SIESTA method. We found the expansion in the top layer and contraction in the subsurface layers of Pt(111) surface. Our results match with the experimental results. Also observing electronic density of states we found that as we increase the thickness of slab, the PDOS of Pt(111) surface goes towards the bulk density of states and Fermi energy shifts towards the bulk fermi energy.

Influence of the State of the Tungsten Tip on STM Topographic Images of SnSe Surfaces

Science.gov (United States)

Ly, Trinh Thi; Kim, Jungdae

2018-03-01

Tin selenide (SnSe) has recently attracted significant attention because of its excellent thermoelectric properties with a figure of merit (ZT) of 2.6. Previous scanning tunneling microscopy (STM) studies of SnSe surfaces showed that only Sn atoms are resolved in topographic images due to the dominant contribution of the Sn 5 p z states in tunneling. However, when the state of the tungsten (W) tip changes from a typical four-lobe d state such as d xy or {d_{{x^2} - {y^2}}} to a two-lobe {d_{{z^2}}} state, the atomic features observed on the SnSe surface in STM topography can be dramatically altered. In this report, we present the results of a systematic study on the influence of the W tip's states on the STM images of SnSe surfaces. Sn atoms are observed with much stronger corrugation amplitude and smaller apparent radius when the tip is in a {d_{{z^2}}} state. In addition, the atomic features of the Se atoms become visible because of the sharply focused shape of the W {d_{{z^2}}} state. We expect our results to provide important information for establishing a better understanding of the microscopic nature of SnSe surfaces.

Effect of fiber surface state on mechanical properties of Cf/Si-O-C composites

International Nuclear Information System (INIS)

Wang Song; Chen Zhaohui; Ma Qingsong; Hu Haifeng; Zheng Wenwei

2005-01-01

Three-dimensional braided carbon fiber reinforced silicon oxycarbide composites (3D-B C f /Si-O-C) were fabricated via a polysiloxane infiltration and pyrolysis route. The effects of fiber surface state on microstructure and mechanical properties of C f /Si-O-C composites were investigated. The change of carbon fiber surface state was achieved via heat treatment in vacuum. The results showed that heat treatment decreased carbon fiber surface activity due to the decrease of the amount of oxygen and nitrogen atoms. The C f /Si-O-C composites fabricated from the carbon fiber with low surface activity had excellent mechanical properties, which resulted from perfect interfacial bonding and good in situ fiber strength. The flexural strength and fracture toughness of the C f /Si-O-C composites from the treated fiber were 534 MPa and 23.4 MPa m 1/2 , respectively, which were about 7 and 11 times more than those of the composites from the as-received carbon fiber, respectively

Response of the Shockley surface state on Cu(111) to an external electrical field: A density-functional theory study

Science.gov (United States)

Berland, Kristian; Hyldgaard, Per; Einstein, T. L.

2011-03-01

We study the response of the Cu(111) Shockley surface state to an external electrical field E by combining a density-functional theory calculation for a finite slab geometry with an analysis of the Kohn-Sham wavefunctions to obtain a well-converged characterization. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We find that the shift in band minimum and effective mass depend linearly on E. Most change in electrostatic potential profile, and charge transfer occurs outside the outermost copper atoms, and most of the screening is due to bulk electrons. Our analysis is facilitated by a method used to decouple the Kohn-Sham states due to the finite slab geometry, using a rotation in Hilbert space. We discuss applications to tuning the Fermi wavelength and so the many patterns attributed to metallic surface states. Supported by (KB and PH) Swedish Vetenskapsrådet VR 621-2008-4346 and (TLE) NSF CHE 07-50334 & UMD MRSEC DMR 05-20471.

Local equivalence, surface-code states, and matroids

International Nuclear Information System (INIS)

Sarvepalli, Pradeep; Raussendorf, Robert

2010-01-01

Recently, Ji et al. disproved the local-unitary-local Clifford (LU-LC) conjecture and showed that the local unitary (LU) and local Clifford (LC) equivalence classes of the stabilizer states are not always the same. Despite the fact that this settles the LU-LC conjecture, a sufficient condition for stabilizer states that violate the LU-LC conjecture is not known. In this paper, we investigate further the properties of stabilizer states with respect to local equivalence. Our first result shows that there exist infinitely many stabilizer states that violate the LU-LC conjecture. In particular, we show that for all numbers of qubits n≥28, there exist distance-two stabilizer states which are counterexamples to the LU-LC conjecture. We prove that, for all odd n≥195, there exist stabilizer states with distance greater than two that are LU equivalent but not LC equivalent. Two important classes of stabilizer states that are of great interest in quantum computation are the cluster states and stabilizer states of the surface codes. We show that, under some minimal restrictions, both these classes of states preclude any counterexamples. In this context, we also show that the associated surface codes do not have any encoded non-Clifford transversal gates. We characterize the Calderbank-Shor-Steane (CSS) surface-code states in terms of a class of minor closed binary matroids. In addition to making a connection to an important open problem in binary matroid theory, this characterization does in some cases provide an efficient test for CSS states that are not counterexamples.

The effect of cerium valence states at cerium oxide nanoparticle surfaces on cell proliferation

KAUST Repository

Naganuma, Tamaki

2014-05-01

Understanding and controlling cell proliferation on biomaterial surfaces is critical for scaffold/artificial-niche design in tissue engineering. The mechanism by which underlying integrin ligates with functionalized biomaterials to induce cell proliferation is still not completely understood. In this study, poly-l-lactide (PL) scaffold surfaces were functionalized using layers of cerium oxide nanoparticles (CNPs), which have recently attracted attention for use in therapeutic application due to their catalytic ability of Ce4+ and Ce3+ sites. To isolate the influence of Ce valance states of CNPs on cell proliferation, human mesenchymal stem cells (hMSCs) and osteoblast-like cells (MG63) were cultured on the PL/CNP surfaces with dominant Ce4+ and Ce3+ regions. Despite cell type (hMSCs and MG63 cells), different surface features of Ce4+ and Ce3+ regions clearly promoted and inhibited cell spreading, migration and adhesion behavior, resulting in rapid and slow cell proliferation, respectively. Cell proliferation results of various modified CNPs with different surface charge and hydrophobicity/hydrophilicity, indicate that Ce valence states closely correlated with the specific cell morphologies and cell-material interactions that trigger cell proliferation. This finding suggests that the cell-material interactions, which influence cell proliferation, may be controlled by introduction of metal elements with different valence states onto the biomaterial surface. © 2014 Elsevier Ltd.

Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states.

Science.gov (United States)

Metya, Atanu K; Singh, Jayant K; Müller-Plathe, Florian

2016-09-29

In this work, we address the nucleation behavior of a supercooled monatomic cylindrical water droplet on nanoscale textured surfaces using molecular dynamics simulations. The ice nucleation rate at 203 K on graphite based textured surfaces with nanoscale roughness is evaluated using the mean fast-passage time method. The simulation results show that the nucleation rate depends on the surface fraction as well as the wetting states. The nucleation rate enhances with increasing surface fraction for water in the Cassie-Baxter state, while contrary behavior is observed for the case of Wenzel state. Based on the spatial histogram distribution of ice formation, we observed two pathways for ice nucleation. Heterogeneous nucleation is observed at a high surface fraction. However, the probability of homogeneous ice nucleation events increases with decreasing surface fraction. We further investigate the role of the nanopillar height in ice nucleation. The nucleation rate is enhanced with increasing nanopillar height. This is attributed to the enhanced contact area with increasing nanopillar height and the shift in nucleation events towards the three-phase contact line associated with the nanotextured surface. The ice-surface work of adhesion for the Wenzel state is found to be 1-2 times higher than that in the Cassie-Baxter state. Furthermore, the work of adhesion of ice in the Wenzel state is found to be linearly dependent on the contour length of the droplet, which is in line with that reported for liquid droplets.

One-dimensional versus two-dimensional electronic states in vicinal surfaces

International Nuclear Information System (INIS)

Ortega, J E; Ruiz-Oses, M; Cordon, J; Mugarza, A; Kuntze, J; Schiller, F

2005-01-01

Vicinal surfaces with periodic arrays of steps are among the simplest lateral nanostructures. In particular, noble metal surfaces vicinal to the (1 1 1) plane are excellent test systems to explore the basic electronic properties in one-dimensional superlattices by means of angular photoemission. These surfaces are characterized by strong emissions from free-electron-like surface states that scatter at step edges. Thereby, the two-dimensional surface state displays superlattice band folding and, depending on the step lattice constant d, it splits into one-dimensional quantum well levels. Here we use high-resolution, angle-resolved photoemission to analyse surface states in a variety of samples, in trying to illustrate the changes in surface state bands as a function of d

Gravitational states of antihydrogen near material surface

Energy Technology Data Exchange (ETDEWEB)

Voronin, Alexei Yu., E-mail: dr.a.voronin@gmail.com [P.N. Lebedev Physical Institute (Russian Federation); Froelich, Piotr [Uppsala University, Department of Quantum Chemistry (Sweden); Nesvizhevsky, Valery V. [Institut Laue-Langevin (ILL) (France)

2012-12-15

We present a theoretical study of the motion of antihydrogen atoms in the Earth's gravitational field near a material surface. We predict the existence of long-living quasistationary states of antihydrogen in a superposition of the gravitational and Casimir-van der Waals potentials of the surface. We suggest an interferometric method of measuring the energy difference between such gravitational states, hence the gravitational mass of antihydrogen.

State promotion and neutralization of ions near metal surface

International Nuclear Information System (INIS)

Zinoviev, A.N.

2011-01-01

Research highlights: → Multiply charged ion and the charge induced in the metal form a dipole. → Dipole states are promoted into continuum with decreasing ion-surface distance. → These states cross the states formed from metal atom. → Proposed model explains the dominant population of deep bound states. → Observed spectra of emitted Auger electrons prove this promotion model. -- Abstract: When a multiply charged ion with charge Z approaches the metal surface, a dipole is formed by the multiply charged ion and the charge induced in the metal. The states for such a dipole are promoted into continuum with decreasing ion-surface distance and cross the states formed from metal atom. The model proposed explains the dominant population of deep bound states in collisions considered.

Topological surface states on Bi$_{1-x}$Sb$_x$

DEFF Research Database (Denmark)

Zhu, Xie-Gang; Hofmann, Philip

2014-01-01

Topological insulators support metallic surface states whose existence is protected by the bulk band structure. It has been predicted early that the topology of the surface state Fermi contour should depend on several factors, such as the surface orientation and termination and this raises the qu...

Effect of structural modulation and thickness of a graphene overlayer on the binding energy of the Rashba-type surface state of Ir(111)

International Nuclear Information System (INIS)

Sánchez-Barriga, J; Marchenko, D; Rader, O; Varykhalov, A; Bihlmayer, G; Wortmann, D

2013-01-01

The Ir(111) surface is known to host a surface state with a giant spin–orbit splitting due to the Rashba effect. This surface state is stable even in air when Ir is protected with an epitaxial graphene overlayer. In the present paper, we reveal an effect allowing one to tune the binding energy of this spin-split surface state up and down and demonstrate the practical application of this effect by two different approaches. The first approach is related to a decoration of the moiré pattern of single-layer graphene on Ir(111) by self-assembled nanoclusters of different compositions. The clusters locally pin graphene to the Ir substrate and enhance the amplitude of its structural corrugation, which, in turn, leads to an increase in the surface state binding energy. The second approach is related to the synthesis of few-layer graphene on Ir(111) by segregation of carbon. Additional graphene layers induce a shift of the Ir surface state towards lower binding energies and bring it almost to the Fermi level. Based on density functional calculations performed for the graphene/Ir(111) system, we show that in both cases the effect causing the binding energy shifts is intimately related to the distance between graphene and the Ir surface, which is subject to change due to deposition of clusters or by increasing the amount of graphene overlayers. In contrast, the observed spin–orbit splitting of the Ir(111) surface state remains remarkably robust and constant in all cases. Our theoretical analysis reveals that such stability can be explained by the localization properties of the Ir surface state that is a deep surface resonance. (paper)

Deformation and stability of surface states in Dirac semimetals

Science.gov (United States)

Kargarian, Mehdi; Lu, Yuan-Ming; Randeria, Mohit

2018-04-01

The unusual surface states of topological semimetals have attracted a lot of attention. Recently, we showed [Proc. Natl. Acad. Sci. USA 113, 8648 (2016), 10.1073/pnas.1524787113] that for a Dirac semimetal (DSM) arising from band inversion, such as Na3Bi and Cd3As2 , the expected double Fermi arcs on the surface are not topologically protected. Quite generally, the arcs deform into states similar to those on the surface of a strong topological insulator. Here we address two questions related to deformation and stability of surface states in DSMs. First, we discuss why certain perturbations, no matter how large, are unable to destroy the double Fermi arcs. We show that this is related to a certain extra (particle-hole) symmetry, which is nongeneric in materials. Second, we discuss situations in which the surface states are completely destroyed without breaking any symmetry or impacting the bulk Dirac nodes. We are not aware of any experimental or density functional theory (DFT) candidates for a material which is a bulk DSM without any surface states, but our results clearly show that this is possible.

Anomalous surface behavior of hydrated guanidinium ions due to ion pairing

Science.gov (United States)

Ekholm, Victor; Vazdar, Mario; Mason, Philip E.; Bialik, Erik; Walz, Marie-Madeleine; Öhrwall, Gunnar; Werner, Josephina; Rubensson, Jan-Erik; Jungwirth, Pavel; Björneholm, Olle

2018-04-01

Surface affinity of aqueous guanidinium chloride (GdmCl) is compared to that of aqueous tetrapropylammonium chloride (TPACl) upon addition of sodium chloride (NaCl) or disodium sulfate (Na2SO4). The experimental results have been acquired using the surface sensitive technique X-ray photoelectron spectroscopy on a liquid jet. Molecular dynamics simulations have been used to produce radial distribution functions and surface density plots. The surface affinities of both TPA+ and Gdm+ increase upon adding NaCl to the solution. With the addition of Na2SO4, the surface affinity of TPA+ increases, while that of Gdm+ decreases. From the results of MD simulations it is seen that Gdm+ and SO4 2 - ions form pairs. This finding can be used to explain the decreased surface affinity of Gdm+ when co-dissolved with SO4 2 - ions. Since SO4 2 - ions avoid the surface due to the double charge and strong water interaction, the Gdm+-SO4 2 - ion pair resides deeper in the solutions' bulk than the Gdm+ ions. Since TPA+ does not form ion pairs with SO4 2 -, the TPA+ ions are instead enriched at the surface.

How Can Polarization States of Reflected Light from Snow Surfaces Inform Us on Surface Normals and Ultimately Snow Grain Size Measurements?

Science.gov (United States)

Schneider, A. M.; Flanner, M.; Yang, P.; Yi, B.; Huang, X.; Feldman, D.

2016-12-01

The Snow Grain Size and Pollution (SGSP) algorithm is a method applied to Moderate Resolution Imaging Spectroradiometer data to estimate snow grain size from space-borne measurements. Previous studies validate and quantify potential sources of error in this method, but because it assumes flat snow surfaces, however, large scale variations in surface normals can cause biases in its estimates due to its dependence on solar and observation zenith angles. To address these variations, we apply the Monte Carlo method for photon transport using data containing the single scattering properties of different ice crystals to calculate polarization states of reflected monochromatic light at 1500nm from modeled snow surfaces. We evaluate the dependence of these polarization states on solar and observation geometry at 1500nm because multiple scattering is generally a mechanism for depolarization and the ice crystals are relatively absorptive at this wavelength. Using 1500nm thus results in a higher number of reflected photons undergoing fewer scattering events, increasing the likelihood of reflected light having higher degrees of polarization. In evaluating the validity of the model, we find agreement with previous studies pertaining to near-infrared spectral directional hemispherical reflectance (i.e. black-sky albedo) and similarities in measured bidirectional reflectance factors, but few studies exist modeling polarization states of reflected light from snow surfaces. Here, we present novel results pertaining to calculated polarization states and compare dependences on solar and observation geometry for different idealized snow surfaces. If these dependencies are consistent across different ice particle shapes and sizes, then these findings could inform the SGSP algorithm by providing useful relationships between measurable physical quantities and solar and observation geometry to better understand variations in snow surface normals from remote sensing observations.

Preserving half-metallic surface states in Cr O2 : Insights into surface reconstruction rules

Science.gov (United States)

Deng, Bei; Shi, X. Q.; Chen, L.; Tong, S. Y.

2018-04-01

The issue of whether the half-metallic (HM) nature of Cr O2 could be retained at its surface has been a standing problem under debate for a few decades, but until now is still controversial. Here, based on the density functional theory calculations we show, in startling contrast to the previous theoretical understandings, that the surfaces of Cr O2 favorably exhibit a half-metallic-semiconducting (SmC) transition driven by means of a surface electronic reconstruction largely attributed to the participation of the unexpected local charge carriers (LCCs), which convert the HM double exchange surface state into a SmC superexchange state and in turn, stabilize the surface as well. On the basis of the LCCs model, a new insight into the surface reconstruction rules is attained. Our novel finding not only provided an evident interpretation for the widely observed SmC character of Cr O2 surface, but also offered a novel means to improve the HM surface states for a variety of applications in spintronics and superconductors, and promote the experimental realization of the quantum anomalous Hall effect in half-metal based systems.

Forced synchronization of large-scale circulation to increase predictability of surface states

Science.gov (United States)

Shen, Mao-Lin; Keenlyside, Noel; Selten, Frank; Wiegerinck, Wim; Duane, Gregory

2016-04-01

Numerical models are key tools in the projection of the future climate change. The lack of perfect initial condition and perfect knowledge of the laws of physics, as well as inherent chaotic behavior limit predictions. Conceptually, the atmospheric variables can be decomposed into a predictable component (signal) and an unpredictable component (noise). In ensemble prediction the anomaly of ensemble mean is regarded as the signal and the ensemble spread the noise. Naturally the prediction skill will be higher if the signal-to-noise ratio (SNR) is larger in the initial conditions. We run two ensemble experiments in order to explore a way to reduce the SNR of surface winds and temperature. One ensemble experiment is AGCM with prescribing sea surface temperature (SST); the other is AGCM with both prescribing SST and nudging the high-level temperature and winds to ERA-Interim. Each ensemble has 30 members. Larger SNR is expected and found over the tropical ocean in the first experiment because the tropical circulation is associated with the convection and the associated surface wind convergence as these are to a large extent driven by the SST. However, small SNR is found over high latitude ocean and land surface due to the chaotic and non-synchronized atmosphere states. In the second experiment the higher level temperature and winds are forced to be synchronized (nudged to reanalysis) and hence a larger SNR of surface winds and temperature is expected. Furthermore, different nudging coefficients are also tested in order to understand the limitation of both synchronization of large-scale circulation and the surface states. These experiments will be useful for the developing strategies to synchronize the 3-D states of atmospheric models that can be later used to build a super model.

Control of two-dimensional electronic states at anatase Ti O2(001 ) surface by K adsorption

Science.gov (United States)

Yukawa, R.; Minohara, M.; Shiga, D.; Kitamura, M.; Mitsuhashi, T.; Kobayashi, M.; Horiba, K.; Kumigashira, H.

2018-04-01

The nature of the intriguing metallic electronic structures appearing at the surface of anatase titanium dioxide (a-Ti O2 ) remains to be elucidated, mainly owing to the difficulty of controlling the depth distribution of the oxygen vacancies generated by photoirradiation. In this study, K atoms were adsorbed onto the (001) surface of a-Ti O2 to dope electrons into the a-Ti O2 and to confine the electrons in the surface region. The success of the electron doping and its controllability were confirmed by performing in situ angle-resolved photoemission spectroscopy as well as core-level measurements. Clear subband structures were observed in the surface metallic states, indicating the creation of quasi-two-dimensional electron liquid (q2DEL) states in a controllable fashion. With increasing electron doping (K adsorption), the q2DEL states exhibited crossover from polaronic liquid states with multiple phonon-loss structures originating from the long-range Fröhlich interaction to "weakly correlated metallic" states. In the q2DEL states in the weakly correlated metallic region, a kink due to short-range electron-phonon coupling was clearly observed at about 80 ±10 meV . The characteristic energy is smaller than that previously observed for the metallic states of a-Ti O2 with three-dimensional nature (˜110 meV ) . These results suggest that the dominant electron-phonon coupling is modulated by anisotropic carrier screening in the q2DEL states.

The law of corresponding states and surface tension of metals

International Nuclear Information System (INIS)

Digilov, R.

2001-01-01

Full Text: Surface tension of liquid metals is one of fundamental and most important quantities in theory and practice of material processing and its temperature dependence leads to the well-known Marangoni convection. Although currently methods are sufficiently precise to measure the surface tension, there are uncertainties in experimental data and its temperature dependence mainly due to impurity, which even a trace of it strongly affects the results of measurements. The theoretical treatment from the first principles is unwieldy and not always permits one to calculate the surface tension with certainty. Another active research field deals with empirical correlation between the surface tension and bulk thermodynamic properties, which we interpret as a simple consequence of the law of corresponding states. In order to relate the surface tension and to bulk properties of liquid metals the reduced formula is derived by scaling with the melting point T m (0) at p = 0 and atomic volume Ω 0 2/3 at T = 0 K as macroscopic parameters for scaling ε and a characterizing the interatomic potential in metals. The reduced surface tension and the reduced surface entropy obtained in high temperature limit are discussed and compared with the experiment. The reduced temperature coefficient of the surface tension found is a universal constant for the metals of the same structure. It is shown that pressure dependence of the surface tension, so called baric coefficient of the surface tension, can be described by pressure dependence of scaling parameters T m (p) and Ω 0 (p). (author)

Surface states in thin versus thick organic quantum wells

International Nuclear Information System (INIS)

Nguyen Ba An; Hanamura, E.

1995-08-01

Surface states are studied in dependence on thickness or organic quantum wells within the nearest layer approximation. It is shown that there is a material-dependent critical thickness. Structures, that have thickness thinner or thicker than the critical one, exhibit qualitatively different characteristics of surface states. Criteria for existence and sign rules for location of energy levels of surface states are established which are general and contain the results of the previous works as particular cases. (author). 18 refs, 3 figs

Surface States and Effective Surface Area on Photoluminescent P-Type Porous Silicon

Science.gov (United States)

Weisz, S. Z.; Porras, A. Ramirez; Resto, O.; Goldstein, Y.; Many, A.; Savir, E.

1997-01-01

The present study is motivated by the possibility of utilizing porous silicon for spectral sensors. Pulse measurements on the porous-Si/electrolyte system are employed to determine the surface effective area and the surface-state density at various stages of the anodization process used to produce the porous material. Such measurements were combined with studies of the photoluminescence spectra. These spectra were found to shift progressively to the blue as a function of anodization time. The luminescence intensity increases initially with anodization time, reaches a maximum and then decreases with further anodization. The surface state density, on the other hand, increases with anodization time from an initial value of about 2 x 10(exp 12)/sq cm surface to about 1013 sq cm for the anodized surface. This value is attained already after -2 min anodization and upon further anodization remains fairly constant. In parallel, the effective surface area increases by a factor of 10-30. This behavior is markedly different from the one observed previously for n-type porous Si.

Influence of surface states on deep level transient spectroscopy in AlGaN/GaN heterostructure

International Nuclear Information System (INIS)

Zhu Qing; Ma Xiao-Hua; Chen Wei-Wei; Hou Bin; Zhu Jie-Jie; Zhang Meng; Chen Li-Xiang; Cao Yan-Rong; Hao Yue

2016-01-01

Deep level transient spectroscopy (DLTS) as a method to investigate deep traps in AlGaN/GaN heterostructure or high electron mobility transistors (HEMTs) has been widely utilized. The DLTS measurements under different bias conditions are carried out in this paper. Two hole-like traps with active energies of E v + 0.47 eV, and E v + 0.10 eV are observed, which are related to surface states. The electron traps with active energies of E c − 0.56 eV are located in the channel, those with E c − 0.33 eV and E c − 0.88 eV are located in the AlGaN layer. The presence of surface states has a strong influence on the detection of electron traps, especially when the electron traps are low in density. The DLTS signal peak height of the electron trap is reduced and even disappears due to the presence of plentiful surface state. (paper)

Ergodization of magnetic surfaces due to finite beta effect in a helical system

International Nuclear Information System (INIS)

Hayashi, Takaya.

1989-04-01

Breaking of magnetic surfaces due to finite beta effect in a l=2 heliotron/torsatron configuration is studied by using a newly developed three dimensional equilibrium code. Breaking can be suppressed by a larger aspect ratio configuration, shaping of magnetic surface (inward shift or prolate shape), pitch modulation of helical coils, or pressure profile control. (author)

State-to-state inelastic and reactive molecular beam scattering from surfaces

International Nuclear Information System (INIS)

Lykke, K.R.; Kay, B.D.

1990-01-01

Resonantly enhanced multiphoton ionization (REMPI) laser spectroscopic and molecular beam-surface scattering techniques are coupled to study inelastic and reactive gas-surface scattering with state-to-state specificity. Rotational, vibrational, translational and angular distributions have been measured for the inelastic scattering of HCI and N 2 from Au(111). In both cases the scattering is direct-inelastic in nature and exhibits interesting dynamical features such as rotational rainbow scattering. In an effort to elucidate the dynamics of chemical reactions occurring on surfaces we have extended our quantum-resolved scattering studies to include the reactive scattering of a beam of gas phase H-atoms from a chlorinated metal surface M-CI. The nascent rotational and vibrational distributions of the HCI product are determined using REMPI. The thermochemistry for this reaction on Au indicates that the product formation proceeding through chemisorbed H-atoms is slightly endothermic while direct reaction of a has phase H-atom with M-CI is highly exothermic (ca. 50 kcal/mole). Details of the experimental techniques, results and implications regarding the scattering dynamics are discussed. 55 ref., 8 fig

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

International Nuclear Information System (INIS)

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

2010-01-01

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

Radiative forcing over the conterminous United States due to contemporary land cover land use change and sensitivity to snow and interannual albedo variability

Science.gov (United States)

Barnes, Christopher A.; Roy, David P.

2010-01-01

Satellite-derived land cover land use (LCLU), snow and albedo data, and incoming surface solar radiation reanalysis data were used to study the impact of LCLU change from 1973 to 2000 on surface albedo and radiative forcing for 58 ecoregions covering 69% of the conterminous United States. A net positive surface radiative forcing (i.e., warming) of 0.029 Wm−2 due to LCLU albedo change from 1973 to 2000 was estimated. The forcings for individual ecoregions were similar in magnitude to current global forcing estimates, with the most negative forcing (as low as −0.367 Wm−2) due to the transition to forest and the most positive forcing (up to 0.337 Wm−2) due to the conversion to grass/shrub. Snow exacerbated both negative and positive forcing for LCLU transitions between snow-hiding and snow-revealing LCLU classes. The surface radiative forcing estimates were highly sensitive to snow-free interannual albedo variability that had a percent average monthly variation from 1.6% to 4.3% across the ecoregions. The results described in this paper enhance our understanding of contemporary LCLU change on surface radiative forcing and suggest that future forcing estimates should model snow and interannual albedo variation.

Surface potential at a ferroelectric grain due to asymmetric screening of depolarization fields

Energy Technology Data Exchange (ETDEWEB)

Genenko, Yuri A., E-mail: genenko@mm.tu-darmstadt.de; Hirsch, Ofer [Technische Universität Darmstadt, Darmstadt (Germany); Erhart, Paul [Chalmers University of Technology, Gothenburg (Sweden)

2014-03-14

Nonlinear screening of electric depolarization fields, generated by a stripe domain structure in a ferroelectric grain of a polycrystalline material, is studied within a semiconductor model of ferroelectrics. It is shown that the maximum strength of local depolarization fields is rather determined by the electronic band gap than by the spontaneous polarization magnitude. Furthermore, field screening due to electronic band bending and due to presence of intrinsic defects leads to asymmetric space charge regions near the grain boundary, which produce an effective dipole layer at the surface of the grain. This results in the formation of a potential difference between the grain surface and its interior of the order of 1 V, which can be of either sign depending on defect transition levels and concentrations. Exemplary acceptor doping of BaTiO{sub 3} is shown to allow tuning of the said surface potential in the region between 0.1 and 1.3 V.

W nano-fuzzes: A metastable state formed due to large-flux He"+ irradiation at an elevated temperature

International Nuclear Information System (INIS)

Wu, Yunfeng; Liu, Lu; Lu, Bing; Ni, Weiyuan; Liu, Dongping

2016-01-01

W nano-fuzzes have been formed due to the large-flux and low-energy (200eV) He"+ irradiation at W surface temperature of 1480 °C. Microscopic evolution of W nano-fuzzes during annealing or low-energy (200 eV) He"+ bombardments has been observed using scanning electron microscopy and thermal desorption spectroscopy. Our measurements show that both annealing and He"+ bombardments can significantly alter the structure of W nano-fuzzes. W nano-fuzzes are thermally unstable due to the He release during annealing, and they are easily sputtered during He"+ bombardments. The current study shows that W nano-fuzzes act as a metastable state during low-energy and large-flux He"+ irradiation at an elevated temperature. - Highlights: • W nano-fuzzes microscopic evolution during annealing or He"+ irradiated have been measured. • W nano-fuzzes are thermally unstable due to He release during annealing. • He are released from the top layer of W fuzzes by annealing. • Metastable W nano-fuzzes are formed due to He"+ irradiation at an elevated temperature.

Photoreflectance and Raman Study of Surface Electric States on AlGaAs/GaAs Heterostructures

Directory of Open Access Journals (Sweden)

Luis Zamora-Peredo

2016-01-01

Full Text Available Photoreflectance (PR and Raman are two very useful spectroscopy techniques that usually are used to know the surface electronic states in GaAs-based semiconductor devices. However, although they are exceptional tools there are few reports where both techniques were used in these kinds of devices. In this work, the surface electronic states on AlGaAs/GaAs heterostructures were studied in order to identify the effect of factors like laser penetration depth, cap layer thickness, and surface passivation over PR and Raman spectra. PR measurements were performed alternately with two lasers (532 nm and 375 nm wavelength as the modulation sources in order to identify internal and surface features. The surface electric field calculated by PR analysis decreased whereas the GaAs cap layer thickness increased, in good agreement with a similar behavior observed in Raman measurements (IL-/ILO ratio. When the heterostructures were treated by Si-flux, these techniques showed contrary behaviors. PR analysis revealed a diminution in the surface electric field due to a passivation process whereas the IL-/ILO ratio did not present the same behavior because it was dominated by the depletion layers width (cap layer thickness and the laser penetration depth.

Quality factor due to roughness scattering of shear horizontal surface acoustic waves in nanoresonators

NARCIS (Netherlands)

Palasantzas, G.

2008-01-01

In this work we study the quality factor associated with dissipation due to scattering of shear horizontal surface acoustic waves by random self-affine roughness. It is shown that the quality factor is strongly influenced by both the surface roughness exponent H and the roughness amplitude w to

Unoccupied Surface State on Ag(110) as Revealed by Inverse Photoemission

Science.gov (United States)

Reihl, B.; Schlittler, R. R.; Neff, H.

1984-05-01

By use of the new technique of k-resolved inverse photoemission spectroscopy, an unoccupied s-like surface state on Ag(110) has been detected, which lies within the projected L2'-->L1 gap of the bulk. At the X¯ point of the surface Brillouin zone, the energy of the surface state is 1.65 eV above the Fermi level EF, and exhibits a band dispersion E(k∥) towards higher energies. The surface-state emission is immediately quenched when the surface is exposed to very small amounts of oxygen or hydrogen.

Appearance of the minority dz2 surface state and disappearance of the image-potential state: Criteria for clean Fe(001)

Science.gov (United States)

Eibl, Christian; Schmidt, Anke B.; Donath, Markus

2012-10-01

The unoccupied surface electronic structure of clean and oxidized Fe(001) was studied with spin-resolved inverse photoemission and target current spectroscopy. For the clean surface, we detected a dz2 surface state with minority spin character just above the Fermi level, while the image-potential surface state disappears. The opposite is observed for the ordered p(1×1)O/Fe(001) surface: the dz2-type surface state is quenched, while the image-potential state shows up as a pronounced feature. This behavior indicates enhanced surface reflectivity at the oxidized surface. The appearance and disappearance of specific unoccupied surface states prove to be decisive criteria for a clean Fe(001) surface. In addition, enhanced spin asymmetry in the unoccupied states is observed for the oxidized surface. Our results have implications for the use of clean and oxidized Fe(001) films as spin-polarization detectors.

Growth and decay of surface charges in grafts of Teflon in electrets states

International Nuclear Information System (INIS)

Spinelli, I.M.M.

1971-01-01

The greatest problem founded in a cardiovascular implant is the thrombus formation. Teflon grafts were used in electret state for prothesis in vena cava of dogs. To put these grafts in an electret state a corona discharge in air was used and homocharge was formed predominantly. To measure the formed surface charge the oscillating capacitor technique was used. In the electret state the grafts have showed an initial density of charge of 10- 8 C/cm 2 and the charge decay and time decay of the samples were measured under many conditions. We found two activation energies, E 2 =0.17 e V and E 3 =1.12 e V, due to rapid and slow decay, respectively. The charged grafts were sterilized with ethilene gas oxide and this process apparently did not influence the charges

Formation of Surface and Quantum-Well States in Ultra Thin Pt Films on the Au(111 Surface

Directory of Open Access Journals (Sweden)

Igor V. Silkin

2017-12-01

Full Text Available The electronic structure of the Pt/Au(111 heterostructures with a number of Pt monolayers n ranging from one to three is studied in the density-functional-theory framework. The calculations demonstrate that the deposition of the Pt atomic thin films on gold substrate results in strong modifications of the electronic structure at the surface. In particular, the Au(111 s-p-type Shockley surface state becomes completely unoccupied at deposition of any number of Pt monolayers. The Pt adlayer generates numerous quantum-well states in various energy gaps of Au(111 with strong spatial confinement at the surface. As a result, strong enhancement in the local density of state at the surface Pt atomic layer in comparison with clean Pt surface is obtained. The excess in the density of states has maximal magnitude in the case of one monolayer Pt adlayer and gradually reduces with increasing number of Pt atomic layers. The spin–orbit coupling produces strong modification of the energy dispersion of the electronic states generated by the Pt adlayer and gives rise to certain quantum states with a characteristic Dirac-cone shape.

State gun safe storage laws and child mortality due to firearms.

Science.gov (United States)

Cummings, P; Grossman, D C; Rivara, F P; Koepsell, T D

1997-10-01

Since 1989, several states have passed laws that make gun owners criminally liable if someone is injured because a child gains unsupervised access to a gun. These laws are controversial, and their effect on firearm-related injuries is unknown. To determine if state laws that require safe storage of firearms are associated with a reduction in child mortality due to firearms. An ecological study of firearm mortality from 1979 through 1994. All 50 states and the District of Columbia. All children younger than 15 years. Unintentional deaths, suicides, and homicides due to firearms. Laws that make gun owners responsible for storing firearms in a manner that makes them inaccessible to children were in effect for at least 1 year in 12 states from 1990 through 1994. Among children younger than 15 years, unintentional shooting deaths were reduced by 23% (95% confidence interval, 6%-37%) during the years covered by these laws. This estimate was based on within-state comparisons adjusted for national trends in unintentional firearm-related mortality. Gun-related homicide and suicide showed modest declines, but these were not statistically significant. State safe storage laws intended to make firearms less accessible to children appear to prevent unintentional shooting deaths among children younger than 15 years.

Topological surface states of Bi{sub 2}Te{sub 2}Se are robust against surface chemical modification

Energy Technology Data Exchange (ETDEWEB)

Thomas, Conor R.; Sahasrabudhe, Girija; Kushwaha, Satya Kumar; Cava, Robert J.; Schwartz, Jeffrey [Department of Chemistry, Princeton University, Princeton, NJ (United States); Xiong, Jun [Department of Physics, Princeton University, Princeton, NJ (United States)

2014-12-01

The robustness of the Dirac-like electronic states on the surfaces of topological insulators (TIs) during materials process-ing is a prerequisite for their eventual device application. Here, the (001) cleavage surfaces of crystals of the topological insulator Bi{sub 2}Te{sub 2}Se (BTS) were subjected to several surface chemical modification procedures that are common for electronic materials. Through measurement of Shubnikov-de Hass (SdH) oscillations, which are the most sensitive measure of their quality, the surface states of the treated surfaces were compared to those of pristine BTS that had been exposed to ambient conditions. In each case - surface oxidation, deposition of thin layers of Ti or Zr oxides, or chemical modification of the surface oxides - the robustness of the topological surface electronic states was demonstrated by noting only very small changes in the frequency and amplitude of the SdH oscillations. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Estimation of Surface Deformation due to Pasni Earthquake Using SAR Interferometry

Science.gov (United States)

Ali, M.; Shahzad, M. I.; Nazeer, M.; Kazmi, J. H.

2018-04-01

Earthquake cause ground deformation in sedimented surface areas like Pasni and that is a hazard. Such earthquake induced ground displacements can seriously damage building structures. On 7 February 2017, an earthquake with 6.3 magnitudes strike near to Pasni. We have successfully distinguished widely spread ground displacements for the Pasni earthquake by using InSAR-based analysis with Sentinel-1 satellite C-band data. The maps of surface displacement field resulting from the earthquake are generated. Sentinel-1 Wide Swath data acquired from 9 December 2016 to 28 February 2017 was used to generate displacement map. The interferogram revealed the area of deformation. The comparison map of interferometric vertical displacement in different time period was treated as an evidence of deformation caused by earthquake. Profile graphs of interferogram were created to estimate the vertical displacement range and trend. Pasni lies in strong earthquake magnitude effected area. The major surface deformation areas are divided into different zones based on significance of deformation. The average displacement in Pasni is estimated about 250 mm. Maximum pasni area is uplifted by earthquake and maximum uplifting occurs was about 1200 mm. Some of areas was subsidized like the areas near to shoreline and maximum subsidence was estimated about 1500 mm. Pasni is facing many problems due to increasing sea water intrusion under prevailing climatic change where land deformation due to a strong earthquake can augment its vulnerability.

Surface behaviour of first-wall materials due to the synergistic effect of helium and hydrogen isotopes

International Nuclear Information System (INIS)

Abramov, E.; Moreno, D.; Solovioff, G.; Eliezer, D.

1994-01-01

Scanning electron microscopy has been used to investigate changes in surface morphology due to helium implantation and hydrogen charging. Pure polycrystalline nickel, OFHC copper and Cu-1.8Be-0.2Co (CAD 172) alloy have been studied. The influence of helium implantation parameters on blister formation and growth was investigated. Hydrogen charging (cathodic or thermal-gas) was found to lower the helium content needed for blistering and surface exfoliation. The effect of heating, carried out after hydrogen charging, was also studied. For the copper samples, hydrogen damage was produced by oxide reduction at the oxide-metal interface. This damage was found to be lower when the sputtering due to helium implantation increased. The CuBe alloy showed a greater hydrogen resistance due to the stability of the surface BeO. ((orig.))

Charge state of ions scattered by metal surface

International Nuclear Information System (INIS)

Kishinevsky, L.M.; Parilis, E.S.; Verleger, V.K.

1976-01-01

A model for description of charge distributions for scattering of heavy ions in the keV region, on metal surfaces developing and improving the method of Van der Weg and Bierman, and taking into account the connection between the ion charge state and scattering kinematics, is proposed. It is shown that multiple charged particles come from ions with a vacancy in the inner shell while the outer shell vacancies give only single charged ions and neutrals. The approximately linear increase of degree of ionization with normal velocity, and the non-monotonic charge dependence of the energy spectrum established by Chicherov and Buck et al is explained by considering irreversible neutralization in the depth of the metal, taking into account the connection of the charge state with the shape of trajectory and its location relative to the metal surface. The dependence of charge state on surface structure is discussed. Some new experiments are proposed. (author)

Tritium contaminated surface monitoring with a solid - state device

International Nuclear Information System (INIS)

Culcer, Mihai; Iliescu, Mariana; Curuia, Marian; Enache, Adrian; Stefanescu, Ioan; Ducu, Catalin; Malinovschi, Viorel

2004-01-01

The low energy of betas makes tritium difficult to detect. However, there are several methods used in tritium detection, such as liquid scintillation and ionization chambers. Tritium on or near a surface can be also detected using proportional counters and, recently, solid state devices. The paper presents our results in the design and achievement of a surface tritium monitor using a PIN photodiode as a solid state charged particle detector to count betas emitted from the surface. That method allows continuous, real-time and non-destructively measuring of tritium. (authors)

Modulation of electromagnetic local density of states by coupling of surface phonon-polariton

Science.gov (United States)

Li, Yao; Zhang, Chao-Jie; Wang, Tong-Biao; Liu, Jiang-Tao; Yu, Tian-Bao; Liao, Qing-Hua; Liu, Nian-Hua

2017-02-01

We studied the electromagnetic local density of state (EM-LDOS) near the surface of a one-dimensional multilayer structure (1DMS) alternately stacked by SiC and Si. EM-LDOS of a semi-infinite bulk appears two intrinsic peaks due to the resonance of surface phonon-polariton (SPhP) in SiC. In contrast with that of SiC bulk, SPhP can exist at the interface of SiC and Si for the 1DMS. The SPhPs from different interfaces can couple together, which can lead to a significant modulation of EM-LDOS. When the component widths of 1DMS are large, the spectrum of EM-LDOS exhibits oscillation behavior in the frequency regime larger than the resonance frequency of SPhP. While the component widths are small, due to the strong coupling of SPhPs, another peak appears in the EM-LDOS spectrum besides the two intrinsic ones. And the position of the new peak move toward high frequency when the width ratio of SiC and Si increases. The influences of distance from the surfaces and period of 1DMS on EM-LDOS have also been studied in detail. The results are helpful in studying the near-field radiative heat transfer and spontaneous emission.

Isopleths of surface air concentration and surface air kerma rate due to a radioactive cloud released from a stack (3)

International Nuclear Information System (INIS)

Tachibana, Haruo; Kikuchi, Masamitsu; Sekita, Tsutomu; Yamaguchi, Takenori

2004-06-01

This report is a revised edition of 'Isopleths of Surface Air Concentration and Surface Air Absorbed Dose Rate due to a Radioactive Cloud Released from a Stack(II) '(JAERI-M 90-206) and based on the revised Nuclear Safety Guidelines reflected the ICRP1990 Recommendation. Characteristics of this report are the use of Air Karma Rate (Gy/h) instead of Air Absorbed Dose Rate (Gy/h), and the record of isopleths of surface air concentration and surface air karma rate on CD-ROM. These recorded data on CD-ROM can be printed out on paper and/or pasted on digital map by personal computer. (author)

Photon density of states for deformed surfaces

International Nuclear Information System (INIS)

Emig, T

2006-01-01

A new approach to the Helmholtz spectrum for arbitrarily shaped boundaries and a rather general class of boundary conditions is introduced. We derive the boundary induced change of the density of states in terms of the free Green's function from which we obtain both perturbative and non-perturbative results for the Casimir interaction between deformed surfaces. As an example, we compute the lateral electrodynamic Casimir force between two corrugated surfaces over a wide parameter range. Universal behaviour, fixed only by the largest wavelength component of the surface shape, is identified at large surface separations. This complements known short distance expansions which are also reproduced

Assessment of surface and subsurface ground disturbance due to underground mining

International Nuclear Information System (INIS)

Khair, A.W.

1994-01-01

This paper presents highlights of the research carried out at West Virginia University in order to assess surface and subsurface ground disturbance due to longwall mining. Extensive instrumentation and measurements have been made over three longwall mines in northern West Virginia during a three-year period. Various monitoring techniques including full profile borehole extensometer, full profile borehole inclinometers, time domain reflectometry, sonic reflection technique, a unique mechanical grouting method, photographic and visual observations, standard surveying, and water-level measurements were utilized. The paper's emphasis is first on surface ground movement and its impact on integrity of surface ground and structures and second on type and magnitude of subsurface ground movements associated with mine geometry and geology. A subsidence prediction model based on implementation of both mechanisms of ground movement around the excavation and the geologic and geotechnical properties of the rock/coal surrounding the excavation has been developed. 8 refs., 14 figs., 1 tab

W nano-fuzzes: A metastable state formed due to large-flux He{sup +} irradiation at an elevated temperature

Energy Technology Data Exchange (ETDEWEB)

Wu, Yunfeng; Liu, Lu; Lu, Bing; Ni, Weiyuan; Liu, Dongping, E-mail: dongping.liu@dlnu.edu.cn

2016-12-15

W nano-fuzzes have been formed due to the large-flux and low-energy (200eV) He{sup +} irradiation at W surface temperature of 1480 °C. Microscopic evolution of W nano-fuzzes during annealing or low-energy (200 eV) He{sup +} bombardments has been observed using scanning electron microscopy and thermal desorption spectroscopy. Our measurements show that both annealing and He{sup +} bombardments can significantly alter the structure of W nano-fuzzes. W nano-fuzzes are thermally unstable due to the He release during annealing, and they are easily sputtered during He{sup +} bombardments. The current study shows that W nano-fuzzes act as a metastable state during low-energy and large-flux He{sup +} irradiation at an elevated temperature. - Highlights: • W nano-fuzzes microscopic evolution during annealing or He{sup +} irradiated have been measured. • W nano-fuzzes are thermally unstable due to He release during annealing. • He are released from the top layer of W fuzzes by annealing. • Metastable W nano-fuzzes are formed due to He{sup +} irradiation at an elevated temperature.

Interplay between surface and bulk states in the Topological Kondo Insulator SmB6

Science.gov (United States)

Biswas, Sangram; Hatnean, Monica Ciomaga; Balakrishnan, Geetha; Bid, Aveek

Kondo insulator SmB6 is predicted to have topologically protected conducting surface states(TSS). We have studied electrical transport through surface states(SS) at ultra-low temperatures in single crystals of SmB6 using local-nonlocal transport scheme and found a large nonlocal signal at temperatures lower than bulk Kondo gap scale. Using resistance fluctuation spectroscopy, we probed the local and nonlocal transport channels and showed that at low temperatures, transport in this system takes place only through SS. The measured noise in this temperature range arises due to Universal Conductance Fluctuations whose statistics was found to be consistent with theoretical predictions for that of 2D systems in the Symplectic symmetry class. We studied the temperature dependence of noise and found that, unlike the topological insulators of the dichalcogenide family, the noise in surface and bulk conduction channels in SmB6 are uncorrelated - at sufficiently low temperatures, the bulk has no discernible contribution to electrical transport in SmB6 making it an ideal platform for probing the physics of TSS. Nanomission, Department of Science & Technology (DST) and Indian Institute of Scienc and EPSRC, UK, Grant EP/L014963/1.

Electronic states on the clean and oxygen-covered molybdenum (110) surface measured using time-of-flight momentum microscopy

International Nuclear Information System (INIS)

Chernov, Sergii

2016-01-01

Recent experiments discovered a new class of materials called topological insulators and started an extensive investigation in order to find more materials of such type and to understand and explore the opening perspectives in fundamental science and application. These materials exhibit a Dirac-type (massless) electronic state, bridging the fundamental band gap. Surprisingly, a strongly spin-polarized surface state with linear dispersion resembling that of Dirac type was found on the already well-investigated W(110) surface. This rose the question of the existence of the same non-trivial electron state on other metal surfaces. The present work describes the investigation of surface electronic states on the Mo(110) surface, their dispersion and transformation upon surface oxidation. This system is isoelectronic to the case of W(110) but due to the lower atomic number the spin-orbit interaction responsible for local band gap formation is substantially decreased by a factor of 5. The Mo(110) surface was shown to exhibit a linearly dispersing state quite similar to the one on W(110), but within a smaller energy range of 120 meV, with the Dirac point lying in the center of a local band gap in k-space. The experimental investigations were performed with the help of momentum microscopy, using a Ti:sapphire laser in the lab and synchrotron radiation at BESSY II, Berlin. The results show good agreement with theoretical calculations of the band structure and photoemission patterns for clean Mo(110). The fully parallel 3D acquisition scheme allowed to visualize the full surface Brillouin zone of the sample up to few eV binding energy within a single exposure of typically less than 30 min. This opens the door to future time-resolved experiments with maximum detection efficiency.

Electronic states on the clean and oxygen-covered molybdenum (110) surface measured using time-of-flight momentum microscopy

Energy Technology Data Exchange (ETDEWEB)

Chernov, Sergii

2016-04-20

Recent experiments discovered a new class of materials called topological insulators and started an extensive investigation in order to find more materials of such type and to understand and explore the opening perspectives in fundamental science and application. These materials exhibit a Dirac-type (massless) electronic state, bridging the fundamental band gap. Surprisingly, a strongly spin-polarized surface state with linear dispersion resembling that of Dirac type was found on the already well-investigated W(110) surface. This rose the question of the existence of the same non-trivial electron state on other metal surfaces. The present work describes the investigation of surface electronic states on the Mo(110) surface, their dispersion and transformation upon surface oxidation. This system is isoelectronic to the case of W(110) but due to the lower atomic number the spin-orbit interaction responsible for local band gap formation is substantially decreased by a factor of 5. The Mo(110) surface was shown to exhibit a linearly dispersing state quite similar to the one on W(110), but within a smaller energy range of 120 meV, with the Dirac point lying in the center of a local band gap in k-space. The experimental investigations were performed with the help of momentum microscopy, using a Ti:sapphire laser in the lab and synchrotron radiation at BESSY II, Berlin. The results show good agreement with theoretical calculations of the band structure and photoemission patterns for clean Mo(110). The fully parallel 3D acquisition scheme allowed to visualize the full surface Brillouin zone of the sample up to few eV binding energy within a single exposure of typically less than 30 min. This opens the door to future time-resolved experiments with maximum detection efficiency.

Fermi Surfaces in the Antiferromagnetic, Paramagnetic and Polarized Paramagnetic States of CeRh2Si2 Compared with Quantum Oscillation Experiments

Science.gov (United States)

Pourret, Alexandre; Suzuki, Michi-To; Palaccio Morales, Alexandra; Seyfarth, Gabriel; Knebel, Georg; Aoki, Dai; Flouquet, Jacques

2017-08-01

The large quantum oscillations observed in the thermoelectric power in the antiferromagnetic (AF) state of the heavy-fermion compound CeRh2Si2 disappear suddenly when entering in the polarized paramagnetic (PPM) state at Hc ˜ 26.5 T, indicating an abrupt reconstruction of the Fermi surface. The electronic band structure was calculated using [LDA+U] for the AF state taking the correct magnetic structure into account, for the PPM state, and for the paramagnetic state (PM). Different Fermi surfaces were obtained for the AF, PM, and PPM states. Due to band folding, a large number of branches was expected and observed in the AF state. The LDA+U calculation was compared with the previous LDA calculations. Furthermore, we compared both calculations with previously published de Haas-van Alphen experiments. The better agreement with the LDA approach suggests that above the critical pressure pc CeRh2Si2 enters in a mixed-valence state. In the PPM state under a high magnetic field, the 4f contribution at the Fermi level EF drops significantly compared with that in the PM state, and the 4f electrons contribute only weakly to the Fermi surface in our approach.

Exotic Paired States with Anisotropic Spin-Dependent Fermi Surfaces

International Nuclear Information System (INIS)

Feiguin, Adrian E.; Fisher, Matthew P. A.

2009-01-01

We propose a model for realizing exotic paired states in cold Fermi gases by using a spin-dependent optical lattice to engineer mismatched Fermi surfaces for each hyperfine species. The BCS phase diagram shows a stable paired superfluid state with coexisting pockets of momentum space with gapless unpaired carriers, similar to the Sarma state in polarized mixtures, but in our case the system is unpolarized. We propose the possible existence of an exotic 'Cooper-pair Bose-metal' phase, which has a gap for single fermion excitations but gapless and uncondensed 'Cooper-pair' excitations residing on a 'Bose surface' in momentum space.

Tunneling spectroscopy on semiconductors with a low surface state density

OpenAIRE

Sommerhalter, Christof; Matthes, Thomas W.; Boneberg, Johannes; Leiderer, Paul; Lux-Steiner, Martha Christina

1997-01-01

A detailed study of tunneling spectroscopy concerning semiconductors with a low surface state density is presented. For this purpose, I V curves under dark conditions and under illumination were measured on the (0001) van der Waals surface of a p-type WS2 single crystal, which is known to be free of intrinsic surface states. The measurements are interpreted by an analytical one-dimensional metal-insulator-semiconductor model, which shows that the presence of the finite tunneling current has ...

Positron cross-field transport due to quasibound states of antihydrogen

International Nuclear Information System (INIS)

Ahat, Y.; Correa, C.E.; Ordonez, C.A.

2007-01-01

Within the past few years, experiments have been reported in which antiprotons produced at the CERN Antiproton Decelerator facility were slowed, trapped in nested Penning traps and made to interact with a positron plasma such that antihydrogen was formed. Classical trajectory simulations of the interactions between the antiprotons and positrons have been reported to indicate that positive-energy, quasibound states of antihydrogen can form at a rate that exceeds the rate of formation of stable Rydberg states. The formation of quasibound states may affect the rate of diffusion of positrons across the magnetic field that confines them in the nested Penning trap. Simulations indicate that a binary interaction associated with the formation and disintegration of a quasibound state can cause a shift of the positron's guiding center that is much larger than the positron cyclotron radius before the interaction. A theory is presented that describes positron cross-magnetic-field diffusion due to quasibound states of antihydrogen

Nitride surface passivation of GaAs nanowires: impact on surface state density.

Science.gov (United States)

Alekseev, Prokhor A; Dunaevskiy, Mikhail S; Ulin, Vladimir P; Lvova, Tatiana V; Filatov, Dmitriy O; Nezhdanov, Alexey V; Mashin, Aleksander I; Berkovits, Vladimir L

2015-01-14

Surface nitridation by hydrazine-sulfide solution, which is known to produce surface passivation of GaAs crystals, was applied to GaAs nanowires (NWs). We studied the effect of nitridation on conductivity and microphotoluminescence (μ-PL) of individual GaAs NWs using conductive atomic force microscopy (CAFM) and confocal luminescent microscopy (CLM), respectively. Nitridation is found to produce an essential increase in the NW conductivity and the μ-PL intensity as well evidence of surface passivation. Estimations show that the nitride passivation reduces the surface state density by a factor of 6, which is of the same order as that found for GaAs/AlGaAs nanowires. The effects of the nitride passivation are also stable under atmospheric ambient conditions for six months.

Surface and bulk MHD instabilities due to insulator coating imperfections

International Nuclear Information System (INIS)

Xu Zengyu; Reed, C.B.; Pan Chuanjie

2002-01-01

Experiments were performed using copper electrodes inserted into the wall of a perfectly insulated duct to simulate insulator coating flaking or cracking. The results show that surface electric potential U and MHD pressure drop ΔP exhibit a non-monotonic behavior with increasing V 0 , while the magnetic field B 0 is held constant. Additional experiments were also performed keeping all external experimental conditions fixed while measuring the change of U, V 0 , B 0 , and ΔP with increasing time. It was found that while all external experimental conditions were kept constant, the system changed by itself and U, V 0 and ΔP exhibited a non-monotonic behavior with increasing time. The results seem contrary to the law of ΔP∝V 0 B 0 n , but are consistent with conservation of energy, which implies that the change is due to some inherent feature of the system, or possibly instabilities, which may occur due to insulator coating imperfections

A new type of surface acoustic waves in solids due to nonlinear elasticity

International Nuclear Information System (INIS)

Mozhaev, V.G.

1988-12-01

It is shown that in nonlinear elastic semi-infinite medium possessing a property of self focusing of shear waves, besides bulk non-linear shear waves, new surface acoustic waves exist, localization of which near the boundary is entirely due to nonlinear effects. (author). 8 refs

The mechanism and universal scaling law of the contact line friction for the Cassie-state droplets on nanostructured ultrahydrophobic surfaces.

Science.gov (United States)

Zhao, Lei; Cheng, Jiangtao

2018-04-05

Besides the Wenzel state, liquid droplets on micro/nanostructured surfaces can stay in the Cassie state and consequently exhibit intriguing characteristics such as a large contact angle, small contact angle hysteresis and exceptional mobility. Here we report molecular dynamics (MD) simulations of the wetting dynamics of Cassie-state water droplets on nanostructured ultrahydrophobic surfaces with an emphasis on the genesis of the contact line friction (CLF). From an ab initio perspective, CLF can be ascribed to the collective effect of solid-liquid retarding and viscous damping. Solid-liquid retarding is related to the work of adhesion, whereas viscous damping arises from the viscous force exerted on the liquid molecules within the three-phase (liquid/vapor/solid) contact zone. In this work, a universal scaling law is derived to generalize the CLF on nanostructured ultrahydrophobic surfaces. With the decreasing fraction of solid-liquid contact (i.e., the solid fraction), CLF for a Cassie-state droplet gets enhanced due to the fact that viscous damping is counter-intuitively intensified while solid-liquid retarding remains unchanged. Nevertheless, the overall friction between a Cassie-state droplet and the structured surface is indeed reduced since the air cushion formed in the interstices of the surface roughness underneath the Cassie-state droplet applies negligible resistance to the contact line. Our results have revealed the genesis of CLF from an ab initio perspective, demonstrated the effects of surface structures on a moving contact line and justified the critical role of CLF in the analysis of wetting-related situations.

Noncontact surface tension and viscosity measurements of rhenium in the liquid and undercooled states

International Nuclear Information System (INIS)

Ishikawa, Takehiko; Paradis, Paul-Francois; Yoda, Shinichi

2004-01-01

Surface tension and viscosity of liquid rhenium, which have hardly been measured due to the extremely high melting temperature of rhenium, were measured using an electrostatic levitation method combined with the oscillation drop technique. Sample position instability problems caused by the photon pressure of the heating lasers and by sample evaporation were solved by modifying the electrodes design. Good sample stability allowed the measurements of the surface tension and the viscosity over wide temperature ranges including the undercooled states. Over the 2800-3600 K interval, the surface tension of rhenium was measured as σ(T)=2.71x10 3 -0.23(T-T m ), where T m is the melting temperature, 3453 K. At T m , the datum agrees well with the literature values. Similarly, on the same temperature range, the viscosity was determined as η(T)=0.08 exp[1.33x10 5 /(RT)] (mPa s)

Splitting Fermi Surfaces and Heavy Electronic States in Non-Centrosymmetric U3Ni3Sn4

Science.gov (United States)

Maurya, Arvind; Harima, Hisatomo; Nakamura, Ai; Shimizu, Yusei; Homma, Yoshiya; Li, DeXin; Honda, Fuminori; Sato, Yoshiki J.; Aoki, Dai

2018-04-01

We report the single-crystal growth of the non-centrosymmetric paramagnet U3Ni3Sn4 by the Bridgman method and the Fermi surface properties detected by de Haas-van Alphen (dHvA) experiments. We have also investigated single-crystal U3Ni3Sn4 by single-crystal X-ray diffraction, magnetization, electrical resistivity, and heat capacity measurements. The angular dependence of the dHvA frequencies reveals many closed Fermi surfaces, which are nearly spherical in topology. The experimental results are in good agreement with local density approximation (LDA) band structure calculations based on the 5f-itinerant model. The band structure calculation predicts many Fermi surfaces, mostly with spherical shape, derived from 12 bands crossing the Fermi energy. To our knowledge, the splitting of Fermi surfaces due to the non-centrosymmetric crystal in 5f-electron systems is experimentally detected for the first time. The temperature dependence of the dHvA amplitude reveals a large cyclotron effective mass of up to 35 m0, indicating the heavy electronic state of U3Ni3Sn4 due to the proximity of the quantum critical point. From the field dependence of the dHvA amplitude, a mean free path of conduction electrons of up to 1950 Å is detected, reflecting the good quality of the grown crystal. The small splitting energy related to the antisymmetric spin-orbit interaction is most likely due to the large cyclotron effective mass.

Surface states on a topologically nontrivial semimetal: The case of Sb(110)

DEFF Research Database (Denmark)

Bianchi, Marco; Guan, Dandan; Strózecka, Anna

2012-01-01

The electronic structure of Sb(110) is studied by angle-resolved photoemission spectroscopy and first-principles calculations, revealing several electronic surface states in the projected bulk band gaps around the Fermi energy. The dispersion of the states can be interpreted in terms of a strong...... spin-orbit splitting. The bulk band structure of Sb has the characteristics of a strong topological insulator with a Z2 invariant ν0 = 1. This puts constraints on the existence of metallic surface states and the expected topology of the surface Fermi contour. However, bulk Sb is a semimetal......, not an insulator, and these constraints are therefore partly relaxed. This relation of bulk topology and expected surface-state dispersion for semimetals is discussed....

Increased dose near the skin due to electromagnetic surface beacon transponder.

Science.gov (United States)

Ahn, Kang-Hyun; Manger, Ryan; Halpern, Howard J; Aydogan, Bulent

2015-05-08

The purpose of this study was to evaluate the increased dose near the skin from an electromagnetic surface beacon transponder, which is used for localization and tracking organ motion. The bolus effect due to the copper coil surface beacon was evaluated with radiographic film measurements and Monte Carlo simulations. Various beam incidence angles were evaluated for both 6 MV and 18 MV experimentally. We performed simulations using a general-purpose Monte Carlo code MCNPX (Monte Carlo N-Particle) to supplement the experimental data. We modeled the surface beacon geometry using the actual mass of the glass vial and copper coil placed in its L-shaped polyethylene terephthalate tubing casing. Film dosimetry measured factors of 2.2 and 3.0 enhancement in the surface dose for normally incident 6 MV and 18 MV beams, respectively. Although surface dose further increased with incidence angle, the relative contribution from the bolus effect was reduced at the oblique incidence. The enhancement factors were 1.5 and 1.8 for 6 MV and 18 MV, respectively, at an incidence angle of 60°. Monte Carlo simulation confirmed the experimental results and indicated that the epidermal skin dose can reach approximately 50% of the dose at dmax at normal incidence. The overall effect could be acceptable considering the skin dose enhancement is confined to a small area (~ 1 cm2), and can be further reduced by using an opposite beam technique. Further clinical studies are justified in order to study the dosimetric benefit versus possible cosmetic effects of the surface beacon. One such clinical situation would be intact breast radiation therapy, especially large-breasted women.

Image-potential states on the metallic (111) surface of bismuth

International Nuclear Information System (INIS)

Muntwiler, Matthias; Zhu, X-Y

2008-01-01

An extended series (up to n=6, in quantum beats) of image-potential states (IPS) is observed in time-resolved two-photon photoelectron (TR-2PPE) spectroscopy of the Bi(111) surface. Although mainly located in the vacuum, these states probe various properties of the electronic structure of the surface as reflected in their energetics and dynamics. Based on the observation of IPS a projected gap in the surface normal direction is inferred in the region from 3.57 to 4.27 eV above the Fermi level. Despite this band gap, the lifetimes of the IPS are shorter than on comparable metals, which is an indication of the metallic character of the Bi(111) surface.

Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

Energy Technology Data Exchange (ETDEWEB)

Baltrusaitis, Jonas, E-mail: job314@lehigh.edu [Department of Chemical Engineering, Lehigh University, B336 Iacocca Hall, 111 Research Drive, Bethlehem, PA 18015 (United States); PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Mendoza-Sanchez, Beatriz [CRANN, Chemistry School, Trinity College Dublin, Dublin (Ireland); Fernandez, Vincent [Institut des Matériaux Jean Rouxel, 2 rue de la Houssinière, BP 32229, F-44322 Nantes Cedex 3 (France); Veenstra, Rick [PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Dukstiene, Nijole [Department of Physical and Inorganic Chemistry, Kaunas University of Technology, Radvilenu pl. 19, LT-50254 Kaunas (Lithuania); Roberts, Adam [Kratos Analytical Ltd, Trafford Wharf Road, Wharfside, Manchester, M17 1GP (United Kingdom); Fairley, Neal [Casa Software Ltd, Bay House, 5 Grosvenor Terrace, Teignmouth, Devon TQ14 8NE (United Kingdom)

2015-01-30

Highlights: • We analyzed and modeled spectral envelopes of complex molybdenum oxides. • Molybdenum oxide films of varying valence and crystallinity were synthesized. • MoO{sub 3} and MoO{sub 2} line shapes from experimental data were created. • Informed amorphous sample model (IASM) developed. • Amorphous molybdenum oxide XPS envelopes were interpreted. - Abstract: Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

Band mapping of surface states vs. adsorbate coverage

International Nuclear Information System (INIS)

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

1997-01-01

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

Geometric effects on surface states in topological insulator Bi2Te3 nanowire

Science.gov (United States)

Sengupta, Parijat; Kubis, Tillman; Povolotskyi, Michael; Klimeck, Gerhard

2012-02-01

Bismuth Telluride (BT) is a 3D topological insulator (TI) with surface states that have energy dispersion linear in momentum and forms a Dirac cone at low energy. In this work we investigate the surface properties of a BT nanowire and demonstrate the existence of TI states. We also show how such states vanish under certain geometric conditions. An atomistic model (sp3d5s* TB) is used to compute the energy dispersion in a BT nanowire. Penetration depth of the surface states is estimated by ratio of Fermi velocity and band-gap. BT possesses a tiny band-gap, which creates small localization of surface states and greater penetration in to the bulk. To offset this large spatial penetration, which is undesirable to avoid a direct coupling between surfaces, we expect that bigger cross-sections of BT nanowires would be needed to obtain stable TI states. Our numerical work validates this prediction. Furthermore, geometry of the nanowire is shown to influence the TI states. Using a combined analytical and numerical approach our results reveal that surface roughness impact electronic structure leading to Rashba type splits along z-direction. Cylindrical and square cross-sections are given as illustrative examples.

Effect of gamma-ray irradiation on the surface states of MOS tunnel junctions

Science.gov (United States)

Ma, T. P.; Barker, R. C.

1974-01-01

Gamma-ray irradiation with doses up to 8 megarad produces no significant change on either the C(V) or the G(V) characteristics of MOS tunnel junctions with intermediate oxide thicknesses (40-60 A), whereas the expected flat-band shift toward negative electrode voltages occurs in control thick oxide capacitors. A simple tunneling model would explain the results if the radiation-generated hole traps are assumed to lie below the valence band of the silicon. The experiments also suggest that the observed radiation-generated interface states in conventional MOS devices are not due to the radiation damage of the silicon surface.

Spin-resolved photoemission of surface states of W(110)-(1x1)H

International Nuclear Information System (INIS)

Hochstrasser, M.; Tobin, J.G.; Rotenberg, Eli; Kevan, S.D.

2002-01-01

The surface electronic states of W(110)-(1x1)H have been measured using spin- and angle-resolved photoemission. We directly demonstrate that the surface bands are both split and spin-polarized by the spin-orbit interaction in association with the loss of inversion symmetry near a surface. We observe 100 percent spin polarization of the surface states, with the spins aligned in the plane of the surface and oriented in a circular fashion relative to the S-bar symmetry point. In contrast, no measurable polarization of nearby bulk states is observed

Study of Surface States at the Semiconductor/electrolyte Interface of Liquid-Junction Solar Cells.

Science.gov (United States)

Siripala, Withana P.

The existence of surface states at the semiconductor electrolyte interface of photoelectrochemical (PEC) cells plays a major role in determining the performance of the device in regard to the potential distribution and transport mechanisms of photogenerated carriers at the interface. We have investigated the n-TiO(,2)/electrolyte interface using three experimental techniques: relaxation spectrum analysis, photocurrent spectroscopy, and electrolyte electroreflectance (EER) spectroscopy. The effect of Fermi level pinning at the CdIn(,2)SE(,4)/aqueous-polysulfide interface was also studied using EER. Three distinct surface states were observed at the n-TiO(,2)/aqueous-electrolyte interface. The dominant state, which tails from the conduction band edge, is primarily responsible for the surface recombination of photocarriers at the interface. The second surface state, observed at 0.8 eV below the conduction band of TiO(,2), originates in the dark charge transfer intermediates (TiO(,2)-H). It is proposed that the sub-bandgap (SBG) photocurrent-potential behavior is a result of the mechanism of dynamic formation and annihilation of these surface states. The third surface state was at 1.3 eV below the conduction band of TiO(,2), and the SBG EER measurements show this state is "intrinsic" to the surface. These states were detected with SBG EER and impedance measurements in the presence of electrolytes that can adsorb on the surface of TiO(,2). Surface concentration of these states was evaluated with impedance measurements. EER measurements on a CdIn(,2)Se(,4)/polysulfide system have shown that the EER spectrum is sensitive to the surface preparation of the sample. The EER signal was quenched as the surface was driven to strong depletion, owing to Fermi level pinning at the interface in the presence of a high density of surface states. The full analysis of this effect enables us to measure the change in the flatband potential, as a function of the electrode potential, and

Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers

DEFF Research Database (Denmark)

Nuermaimaiti, Ajiguli; Schultz-Falk, Vickie; Lind Cramer, Jacob

2016-01-01

Self-assembly of a molecule with many distinct conformational states, resulting in eight possible pairs of surface enantiomers, is investigated on a Au(111) surface under UHV conditions. The complex molecule is equipped with alkyl and carboxyl moieties to promote controlled self-assembly of lamel......Self-assembly of a molecule with many distinct conformational states, resulting in eight possible pairs of surface enantiomers, is investigated on a Au(111) surface under UHV conditions. The complex molecule is equipped with alkyl and carboxyl moieties to promote controlled self......-assembly of lamellae structures. From statistical analysis of Scanning Tunnelling Microscopy (STM) data we observe a clear selection of specific conformational states after self-assembly. Using Density Functional Theory (DFT) calculations we rationalise how this selection is correlated to the orientation of the alkyl...

In-situ XMCD evaluation of ferromagnetic state at FeRh thin film surface induced by 1 keV Ar ion beam irradiation and annealing

Energy Technology Data Exchange (ETDEWEB)

Matsui, T. [Research Organization for the 21st Century, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Aikoh, K. [Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Sakamaki, M.; Amemiya, K. [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki 305-0801 (Japan); Iwase, A. [Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan)

2015-12-15

Surface ferromagnetic state of FeRh thin films irradiated with 1 keV Ar ion-beam has been investigated by using soft X-ray Magnetic Circular Dichroism (XMCD). It was revealed that the Fe atoms of the samples were strongly spin-polarized after Ar ion-beam irradiation. Due to its small penetration depth, 1 keV Ar ion-beam irradiation can modify the magnetic state at subsurface of the samples. In accordance with the XMCD sum rule analysis, the main component of the irradiation induced ferromagnetism at the FeRh film surface was to be effective spin magnetic moment, and not to be orbital moment. We also confirmed that the surface ferromagnetic state could be produced by thermal annealing of the excessively ion irradiated paramagnetic subsurface of the FeRh thin films. This novel magnetic modification technique by using ion irradiation and subsequent annealing can be a potential tool to control the surface magnetic state of FeRh thin films.

Radiant heat evaluation of concrete: a study of the erosion of concrete due to surface heating

International Nuclear Information System (INIS)

Chu, T.Y.

1978-01-01

Experiments were carried out to investigate the erosion of concrete under high surface heat flux in connection with the core-melt/concrete interaction studies. The dominate erosion mechanism was found to be melting at the surface accompanied by chemical decomposition of the concrete beneath the melt-solid interface. The erosion process reaches a steady state after an initial transient. The steady state is characterized by an essentially constant erosion rate at the surface and a nonvarying (with respect to the moving melt interface) temperature distribution within the concrete. For the range of incident heat flux 64 W/cm 2 to 118 W/cm 2 , the corresponding steady state erosion rate varies from approximately 8 cm/hr to 23 cm/hr. A simple ablation/melting model is proposed for the erosion process. The model was found to be able to correlate all temperature responses at various depths from all tests at large times and for temperatures above approximately 250 0 C

Surface structural damage study in cortical bone due to medical drilling.

Science.gov (United States)

Tavera R, Cesar G; De la Torre-I, Manuel H; Flores-M, Jorge M; Hernandez M, Ma Del Socorro; Mendoza-Santoyo, Fernando; Briones-R, Manuel de J; Sanchez-P, Jorge

2017-05-01

A bone's fracture could be produced by an excessive, repetitive, or sudden load. A regular medical practice to heal it is to fix it in two possible ways: external immobilization, using a ferule, or an internal fixation, using a prosthetic device commonly attached to the bone by means of surgical screws. The bone's volume loss due to this drilling modifies its structure either in the presence or absence of a fracture. To observe the bone's surface behavior caused by the drilling effects, a digital holographic interferometer is used to analyze the displacement surface's variations in nonfractured post-mortem porcine femoral bones. Several nondrilled post-mortem bones are compressed and compared to a set of post-mortem bones with a different number of cortical drillings. During each compression test, a series of digital interferometric holograms were recorded using a high-speed CMOS camera. The results are presented as pseudo 3D mesh displacement maps for comparisons in the physiological range of load (30 and 50 lbs) and beyond (100, 200, and 400 lbs). The high resolution of the optical phase gives a better understanding about the bone's microstructural modifications. Finally, a relationship between compression load and bone volume loss due to the drilling was observed. The results prove that digital holographic interferometry is a viable technique to study the conditions that avoid the surgical screw from loosening in medical procedures of this kind.

Dirac-Screening Stabilized Surface-State Transport in a Topological Insulator

Directory of Open Access Journals (Sweden)

Christoph Brüne

2014-12-01

Full Text Available We report magnetotransport studies on a gated strained HgTe device. This material is a three-dimensional topological insulator and exclusively shows surface-state transport. Remarkably, the Landau-level dispersion and the accuracy of the Hall quantization remain unchanged over a wide density range (3×10^{11}  cm^{−2}surface-state dominated, where bulk transport would have been expected to coexist already. Moreover, the density dependence of the Dirac-type quantum Hall effect allows us to identify the contributions from the individual surfaces. A k·p model can describe the experiments but only when assuming a steep band bending across the regions where the topological surface states are contained. This steep potential originates from the specific screening properties of Dirac systems and causes the gate voltage to influence the position of the Dirac points rather than that of the Fermi level.

Protective capping of topological surface states of intrinsically insulating Bi2Te3

Directory of Open Access Journals (Sweden)

Katharina Hoefer

2015-09-01

Full Text Available We have identified epitaxially grown elemental Te as a capping material that is suited to protect the topological surface states of intrinsically insulating Bi2Te3. By using angle-resolved photoemission, we were able to show that the Te overlayer leaves the dispersive bands of the surface states intact and that it does not alter the chemical potential of the Bi2Te3 thin film. From in-situ four-point contact measurements, we observed that the conductivity of the capped film is still mainly determined by the metallic surface states and that the contribution of the capping layer is minor. Moreover, the Te overlayer can be annealed away in vacuum to produce a clean Bi2Te3 surface in its pristine state even after the exposure of the capped film to air. Our findings will facilitate well-defined and reliable ex-situ experiments on the properties of Bi2Te3 surface states with nontrivial topology.

Surface State Capture Cross-Section at the Interface between Silicon and Hafnium Oxide

Directory of Open Access Journals (Sweden)

Fu-Chien Chiu

2013-01-01

Full Text Available The interfacial properties between silicon and hafnium oxide (HfO2 are explored by the gated-diode method and the subthreshold measurement. The density of interface-trapped charges, the current induced by surface defect centers, the surface recombination velocity, and the surface state capture cross-section are obtained in this work. Among the interfacial properties, the surface state capture cross-section is approximately constant even if the postdeposition annealing condition is changed. This effective capture cross-section of surface states is about 2.4 × 10−15 cm2, which may be an inherent nature in the HfO2/Si interface.

Fermiology and Superconductivity of Topological Surface States in PdTe2

Science.gov (United States)

Clark, O. J.; Neat, M. J.; Okawa, K.; Bawden, L.; Marković, I.; Mazzola, F.; Feng, J.; Sunko, V.; Riley, J. M.; Meevasana, W.; Fujii, J.; Vobornik, I.; Kim, T. K.; Hoesch, M.; Sasagawa, T.; Wahl, P.; Bahramy, M. S.; King, P. D. C.

2018-04-01

We study the low-energy surface electronic structure of the transition-metal dichalcogenide superconductor PdTe2 by spin- and angle-resolved photoemission, scanning tunneling microscopy, and density-functional theory-based supercell calculations. Comparing PdTe2 with its sister compound PtSe2 , we demonstrate how enhanced interlayer hopping in the Te-based material drives a band inversion within the antibonding p -orbital manifold well above the Fermi level. We show how this mediates spin-polarized topological surface states which form rich multivalley Fermi surfaces with complex spin textures. Scanning tunneling spectroscopy reveals type-II superconductivity at the surface, and moreover shows no evidence for an unconventional component of its superconducting order parameter, despite the presence of topological surface states.

Surface and Internal Waves due to a Moving Load on a Very Large Floating Structure

Directory of Open Access Journals (Sweden)

Taro Kakinuma

2012-01-01

Full Text Available Interaction of surface/internal water waves with a floating platform is discussed with nonlinearity of fluid motion and flexibility of oscillating structure. The set of governing equations based on a variational principle is applied to a one- or two-layer fluid interacting with a horizontally very large and elastic thin plate floating on the water surface. Calculation results of surface displacements are compared with the existing experimental data, where a tsunami, in terms of a solitary wave, propagates across one-layer water with a floating thin plate. We also simulate surface and internal waves due to a point load, such as an airplane, moving on a very large floating structure in shallow water. The wave height of the surface or internal mode is amplified when the velocity of moving point load is equal to the surface- or internal-mode celerity, respectively.

The Rashba-split surface state of Sb{sub 2}Te{sub 3}(0 0 0 1) and its interaction with bulk states

Energy Technology Data Exchange (ETDEWEB)

Seibel, Christoph; Maaß, Henriette [Experimentelle Physik VII and Röntgen Research Center for Complex Materials (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Bentmann, Hendrik, E-mail: Hendrik.Bentmann@physik.uni-wuerzburg.de [Experimentelle Physik VII and Röntgen Research Center for Complex Materials (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Braun, Jürgen [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); Sakamoto, Kazuyuki [Department of Nanomaterials Science, Chiba University, Chiba 263-8522 (Japan); Arita, Masashi; Shimada, Kenya [Hiroshima Synchrotron Radiation Center, Hiroshima University, Kagamiyama 2-313, Higashi-Hiroshima 739-0046 (Japan); Minár, Jan [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Ebert, Hubert [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); and others

2015-05-15

Highlights: • We investigate a spin–orbit split surface state on the Sb{sub 2}Te{sub 3}(0 0 0 1) surface. • The spin-splitting and dispersion follow the Rashba model at small wave vectors. • At higher wave vectors the spin-splitting shows an unsual non-monotonic evolution. • The spin-polarized surface bands connect with different bulk bands at the gap edge. - Abstract: The electronic structure of the Sb{sub 2}Te{sub 3}(0 0 0 1) surface exhibits a spin–orbit split surface state in a local energy gap of the projected bulk valence band continuum. We investigate this surface state by high-resolution angle-resolved photoemission spectroscopy (ARPES), spin-resolved ARPES and relativistic one-step photoemission calculations. At low wave vectors the dispersion and spin splitting are well-captured by the predictions of the Rashba model for a two-dimensional electron system. With increasing wave vectors, however, the surface state dispersion becomes more complex and the spin splitting size exhibits an unusual non-monotonic evolution. These deviations from the Rashba model arise from the influence of bulk continuum states near the edge of the projected gap. The spin polarization of the surface state remains intact despite the coupling to bulk states.

Surface states of a system of Dirac fermions: A minimal model

International Nuclear Information System (INIS)

Volkov, V. A.; Enaldiev, V. V.

2016-01-01

A brief survey is given of theoretical works on surface states (SSs) in Dirac materials. Within the formalism of envelope wave functions and boundary conditions for these functions, a minimal model is formulated that analytically describes surface and edge states of various (topological and nontopological) types in several systems with Dirac fermions (DFs). The applicability conditions of this model are discussed.

Surface states of a system of Dirac fermions: A minimal model

Energy Technology Data Exchange (ETDEWEB)

Volkov, V. A., E-mail: volkov.v.a@gmail.com; Enaldiev, V. V. [Russian Academy of Sciences, Kotel’nikov Institute of Radio Engineering and Electronics (Russian Federation)

2016-03-15

A brief survey is given of theoretical works on surface states (SSs) in Dirac materials. Within the formalism of envelope wave functions and boundary conditions for these functions, a minimal model is formulated that analytically describes surface and edge states of various (topological and nontopological) types in several systems with Dirac fermions (DFs). The applicability conditions of this model are discussed.

Topological states in a two-dimensional metal alloy in Si surface: BiAg/Si(111)-4 ×4 surface

Science.gov (United States)

Zhang, Xiaoming; Cui, Bin; Zhao, Mingwen; Liu, Feng

2018-02-01

A bridging topological state with a conventional semiconductor platform offers an attractive route towards future spintronics and quantum device applications. Here, based on first-principles and tight-binding calculations, we demonstrate the existence of topological states hosted by a two-dimensional (2D) metal alloy in a Si surface, the BiAg/Si(111)-4 ×4 surface, which has already been synthesized experimentally. It exhibits a topological insulating state with an energy gap of 71 meV (˜819 K ) above the Fermi level and a topological metallic state with quasiquantized conductance below the Fermi level. The underlying mechanism leading to the formation of such nontrivial states is revealed by analysis of the "charge-transfer" and "orbital-filtering" effect of the Si substrate. A minimal effective tight-binding model is employed to reveal the formation mechanism of the topological states. Our finding opens opportunities to detect topological states and measure its quantized conductance in a large family of 2D surface metal alloys, which have been or are to be grown on semiconductor substrates.

Mediation and Due Process Procedures in Special Education: An Analysis of State Policies. Final Report. Project FORUM.

Science.gov (United States)

Ahearn, Eileen M.

This survey of 50 states and 3 of 10 non-state U.S. jurisdictions concerning state due process procedures focuses mainly on the use of mediation as a form of dispute resolution that offers an alternative to due process hearings in special education. A background section discusses the definition of mediation and the mediation process. Survey…

Prediction of residual stress distributions due to surface machining and welding and crack growth simulation under residual stress distribution

International Nuclear Information System (INIS)

Ihara, Ryohei; Katsuyama, JInya; Onizawa, Kunio; Hashimoto, Tadafumi; Mikami, Yoshiki; Mochizuki, Masahito

2011-01-01

Research highlights: → Residual stress distributions due to welding and machining are evaluated by XRD and FEM. → Residual stress due to machining shows higher tensile stress than welding near the surface. → Crack growth analysis is performed using calculated residual stress. → Crack growth result is affected machining rather than welding. → Machining is an important factor for crack growth. - Abstract: In nuclear power plants, stress corrosion cracking (SCC) has been observed near the weld zone of the core shroud and primary loop recirculation (PLR) pipes made of low-carbon austenitic stainless steel Type 316L. The joining process of pipes usually includes surface machining and welding. Both processes induce residual stresses, and residual stresses are thus important factors in the occurrence and propagation of SCC. In this study, the finite element method (FEM) was used to estimate residual stress distributions generated by butt welding and surface machining. The thermoelastic-plastic analysis was performed for the welding simulation, and the thermo-mechanical coupled analysis based on the Johnson-Cook material model was performed for the surface machining simulation. In addition, a crack growth analysis based on the stress intensity factor (SIF) calculation was performed using the calculated residual stress distributions that are generated by welding and surface machining. The surface machining analysis showed that tensile residual stress due to surface machining only exists approximately 0.2 mm from the machined surface, and the surface residual stress increases with cutting speed. The crack growth analysis showed that the crack depth is affected by both surface machining and welding, and the crack length is more affected by surface machining than by welding.

Cassie state robustness of plasma generated randomly nano-rough surfaces

Energy Technology Data Exchange (ETDEWEB)

Di Mundo, Rosa, E-mail: rosa.dimundo@poliba.it; Bottiglione, Francesco; Carbone, Giuseppe

2014-10-15

Graphical abstract: - Highlights: • Superhydrophobic randomly rough surfaces are generated by plasma etching. • Statistical analysis of roughness allows calculation of theWenzel roughness factor, r{sub W.} • A r{sub W} threshold is theoretically determined, above which superhydrophobicity is “robust”. • Dynamic wetting, e.g. with high speed impacting drops, confirms this prediction. - Abstract: Superhydrophobic surfaces are effective in practical applications provided they are “robust superhydrophobic”, i.e. able to retain the Cassie state, i.e. with water suspended onto the surface protrusions, even under severe conditions (high pressure, vibrations, high speed impact, etc.). We show that for randomly rough surfaces, given the Young angle, Cassie states are robust when a threshold value of the Wenzel roughness factor, r{sub W}, is exceeded. In particular, superhydrophobic nano-textured surfaces have been generated by self-masked plasma etching. In view of their random roughness, topography features, acquired by Atomic Force Microscopy, have been statistically analyzed in order to gain information on statistical parameters such as power spectral density, fractal dimension and Wenzel roughness factor (r{sub W}), which has been used to assess Cassie state robustness. Results indicate that randomly rough surfaces produced by plasma at high power or long treatment duration, which are also fractal self-affine, have a r{sub W} higher than the theoretical threshold, thus for them a robust superhydrophobicity is predicted. In agreement with this, under dynamic wetting conditionson these surfaces the most pronounced superhydrophobic character has been appreciated: they show the lowest contact angle hysteresis and result in the sharpest bouncing when hit by drops at high impact velocity.

[Human mortality due to invertebrate and vertebrate envenomation in Monagas State, Venezuela].

Science.gov (United States)

De Sousa, Leonardo; Vásquez, Dioniris; Salazar, Doyra; Valecillos, Rigoberto; Vásquez, Dionisio; Rojas, María; Parrila-Alvarez, Pedro; Quiroga, Mercedes

2005-09-01

Human mortality due to envenomation by animals in Monagas state, Venezuela was evaluated. In this state 47 deaths due to envenomations produced by vertebrates and invertebrates (scorpions = 21, snakes = 20, bees = 6) during the period 1980-2000 were registered. The mountainous area, at the north of the state (Turimiquire sub-region) and its piedmonts reported most of the mortality by scorpionism (57.2%) and ophidism (70.0%). The age group of the patients was related with the sort of envenomation causing the death. During the period of dry season the highest percentage of deaths by scorpions and bees occurred; and the deaths produced by snakes were more frequent in the median raining season. The most frequent causes of death (61.9%) by scorpionism were the acute lung edema and congestive heart failure. In 40% of the deaths caused by snakes, alterations of the blood coagulability were observed. Bee envenomation was responsible of 50% of the deaths produced by anaphylactic shock. In none of the deaths, the species responsible of the accident was identified. The annual mean mortality rate/100,000 inhabitants, in the 21 years registered was 0.20 for the scorpion envenomation, 0.19 for ophidism and 0.06 for bee envenomation. The data suggest the importance of the mortality produced by scorpions and snakes, particularly at the north of the state.

History of surface weather observations in the United States

Science.gov (United States)

Fiebrich, Christopher A.

2009-04-01

In this paper, the history of surface weather observations in the United States is reviewed. Local weather observations were first documented in the 17th Century along the East Coast. For many years, the progression of a weather observation from an initial reading to dissemination remained a slow and laborious process. The number of observers remained small and unorganized until agencies including the Surgeon General, Army, and General Land Office began to request regular observations at satellite locations in the 1800s. The Smithsonian was responsible for first organizing a large "network" of volunteer weather observers across the nation. These observers became the foundation for today's Cooperative Observer network. As applications of weather data continued to grow and users required the data with an ever-decreasing latency, automated weather networks saw rapid growth in the later part of the 20th century. Today, the number of weather observations across the U.S. totals in the tens of thousands due largely to privately-owned weather networks and amateur weather observers who submit observations over the internet.

Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT).

Science.gov (United States)

Maurer, Reinhard J; Reuter, Karsten

2013-07-07

Accurate and efficient simulation of excited state properties is an important and much aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the recently proposed linear expansion Δ-self-consistent field method by Gavnholt et al. [Phys. Rev. B 78, 075441 (2008)] presents an efficient alternative to time consuming quasi-particle calculations. In this method, the standard Kohn-Sham equations of density-functional theory are solved with the constraint of a non-equilibrium occupation in a region of Hilbert-space resembling gas-phase orbitals of the adsorbate. In this work, we discuss the applicability of this method for the excited-state dynamics of metal-surface mounted organic adsorbates, specifically in the context of molecular switching. We present necessary advancements to allow for a consistent quality description of excited-state potential-energy surfaces (PESs), and illustrate the concept with the application to Azobenzene adsorbed on Ag(111) and Au(111) surfaces. We find that the explicit inclusion of substrate electronic states modifies the topologies of intra-molecular excited-state PESs of the molecule due to image charge and hybridization effects. While the molecule in gas phase shows a clear energetic separation of resonances that induce isomerization and backreaction, the surface-adsorbed molecule does not. The concomitant possibly simultaneous induction of both processes would lead to a significantly reduced switching efficiency of such a mechanism.

Hydrogen generation due to water splitting on Si - terminated 4H-Sic(0001) surfaces

Science.gov (United States)

Li, Qingfang; Li, Qiqi; Yang, Cuihong; Rao, Weifeng

2018-02-01

The chemical reactions of hydrogen gas generation via water splitting on Si-terminated 4H-SiC surfaces with or without C/Si vacancies were studied by using first-principles. We studied the reaction mechanisms of hydrogen generation on the 4H-SiC(0001) surface. Our calculations demonstrate that there are major rearrangements in surface when H2O approaches the SiC(0001) surface. The first H splitting from water can occur with ground-state electronic structures. The second H splitting involves an energy barrier of 0.65 eV. However, the energy barrier for two H atoms desorbing from the Si-face and forming H2 gas is 3.04 eV. In addition, it is found that C and Si vacancies can form easier in SiC(0001)surfaces than in SiC bulk and nanoribbons. The C/Si vacancies introduced can enhance photocatalytic activities. It is easier to split OH on SiC(0001) surface with vacancies compared to the case of clean SiC surface. H2 can form on the 4H-SiC(0001) surface with C and Si vacancies if the energy barriers of 1.02 and 2.28 eV are surmounted, respectively. Therefore, SiC(0001) surface with C vacancy has potential applications in photocatalytic water-splitting.

Optical absorption and oxygen passivation of surface states in III-nitride photonic devices

Science.gov (United States)

Rousseau, Ian; Callsen, Gordon; Jacopin, Gwénolé; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas

2018-03-01

III-nitride surface states are expected to impact high surface-to-volume ratio devices, such as nano- and micro-wire light-emitting diodes, transistors, and photonic integrated circuits. In this work, reversible photoinduced oxygen desorption from III-nitride microdisk resonator surfaces is shown to increase optical attenuation of whispering gallery modes by 100 cm-1 at λ = 450 nm. Comparison of photoinduced oxygen desorption in unintentionally and n+-doped microdisks suggests that the spectral changes originate from the unpinning of the surface Fermi level, likely taking place at etched nonpolar III-nitride sidewalls. An oxygen-rich surface prepared by thermal annealing results in a broadband Q improvement to state-of-the-art values exceeding 1 × 104 at 2.6 eV. Such findings emphasize the importance of optically active surface states and their passivation for future nanoscale III-nitride optoelectronic and photonic devices.

Physisorption of an electron in deep surface potentials off a dielectric surface

International Nuclear Information System (INIS)

Heinisch, R. L.; Bronold, F. X.; Fehske, H.

2011-01-01

We study phonon-mediated adsorption and desorption of an electron at dielectric surfaces with deep polarization-induced surface potentials where multiphonon transitions are responsible for electron energy relaxation. Focusing on multiphonon processes due to the nonlinearity of the coupling between the external electron and the acoustic bulk phonon triggering the transitions between surface states, we calculate electron desorption times for graphite, MgO, CaO, Al 2 O 3 , and SiO 2 and electron sticking coefficients for Al 2 O 3 , CaO, and SiO 2 . To reveal the kinetic stages of electron physisorption, we moreover study the time evolution of the image-state occupancy and the energy-resolved desorption flux. Depending on the potential depth and the surface temperature, we identify two generic scenarios: (i) adsorption via trapping in shallow image states followed by relaxation to the lowest image state and desorption from that state via a cascade through the second strongly bound image state in not too deep potentials, and (ii) adsorption via trapping in shallow image states but followed by a relaxation bottleneck retarding the transition to the lowest image state and desorption from that state via a one-step process to the continuum in deep potentials.

Large optical conductivity of Dirac semimetal Fermi arc surface states

Science.gov (United States)

Shi, Li-kun; Song, Justin C. W.

2017-08-01

Fermi arc surface states, a hallmark of topological Dirac semimetals, can host carriers that exhibit unusual dynamics distinct from that of their parent bulk. Here we find that Fermi arc carriers in intrinsic Dirac semimetals possess a strong and anisotropic light-matter interaction. This is characterized by a large Fermi arc optical conductivity when light is polarized transverse to the Fermi arc; when light is polarized along the Fermi arc, Fermi arc optical conductivity is significantly muted. The large surface spectral weight is locked to the wide separation between Dirac nodes and persists as a large Drude weight of Fermi arc carriers when the system is doped. As a result, large and anisotropic Fermi arc conductivity provides a novel means of optically interrogating the topological surfaces states of Dirac semimetals.

Climatic change due to land surface alterations

Energy Technology Data Exchange (ETDEWEB)

Franchito, S.H.; Rao, V.B.

1992-01-01

A primitive equations global zonally averaged climate model is developed. The model includes biofeedback mechanisms. For the Northern Hemisphere the parameterization of biofeedback mechanisms is similar to that used by Gutman et al. For the Southern Hemisphere new parameterizations are derived. The model simulates reasonably well the mean annual zonally averaged climate and geobotanic zones. Deforestation, desertification, and irrigation experiments are performed. In the case of deforestation and desertification there is a reduction in the surface net radiation, evaporation, and precipitation and an increase in the surface temperature. In the case of irrigation experiment opposite changes occurred. In all the cases considered the changes in evapotranspiration overcome the effect of surface albedo modification. In all the experiments changes are smaller in the Southern Hemisphere.

Improvements to the swath-level near-surface atmospheric state parameter retrievals within the NRL Ocean Surface Flux System (NFLUX)

Science.gov (United States)

May, J. C.; Rowley, C. D.; Meyer, H.

2017-12-01

The Naval Research Laboratory (NRL) Ocean Surface Flux System (NFLUX) is an end-to-end data processing and assimilation system used to provide near-real-time satellite-based surface heat flux fields over the global ocean. The first component of NFLUX produces near-real-time swath-level estimates of surface state parameters and downwelling radiative fluxes. The focus here will be on the satellite swath-level state parameter retrievals, namely surface air temperature, surface specific humidity, and surface scalar wind speed over the ocean. Swath-level state parameter retrievals are produced from satellite sensor data records (SDRs) from four passive microwave sensors onboard 10 platforms: the Special Sensor Microwave Imager/Sounder (SSMIS) sensor onboard the DMSP F16, F17, and F18 platforms; the Advanced Microwave Sounding Unit-A (AMSU-A) sensor onboard the NOAA-15, NOAA-18, NOAA-19, Metop-A, and Metop-B platforms; the Advanced Technology Microwave Sounder (ATMS) sensor onboard the S-NPP platform; and the Advanced Microwave Scannin Radiometer 2 (AMSR2) sensor onboard the GCOM-W1 platform. The satellite SDRs are translated into state parameter estimates using multiple polynomial regression algorithms. The coefficients to the algorithms are obtained using a bootstrapping technique with all available brightness temperature channels for a given sensor, in addition to a SST field. For each retrieved parameter for each sensor-platform combination, unique algorithms are developed for ascending and descending orbits, as well as clear vs cloudy conditions. Each of the sensors produces surface air temperature and surface specific humidity retrievals. The SSMIS and AMSR2 sensors also produce surface scalar wind speed retrievals. Improvement is seen in the SSMIS retrievals when separate algorithms are used for the even and odd scans, with the odd scans performing better than the even scans. Currently, NFLUX treats all SSMIS scans as even scans. Additional improvement in all of

How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study.

Science.gov (United States)

Komoto, Keenan T; Kowalczyk, Tim

2016-10-06

To support the development and characterization of chromophores with targeted photophysical properties, excited-state electronic structure calculations should rapidly and accurately predict how derivatization of a chromophore will affect its excitation and emission energies. This paper examines whether a time-independent excited-state density functional theory (DFT) approach meets this need through a case study of BODIPY chromophore photophysics. A restricted open-shell Kohn-Sham (ROKS) treatment of the S 1 excited state of BODIPY dyes is contrasted with linear-response time-dependent density functional theory (TDDFT). Vertical excitation energies predicted by the two approaches are remarkably different due to overestimation by TDDFT and underestimation by ROKS relative to experiment. Overall, ROKS with a standard hybrid functional provides the more accurate description of the S 1 excited state of BODIPY dyes, but excitation energies computed by the two methods are strongly correlated. The two approaches also make similar predictions of shifts in the excitation energy upon functionalization of the chromophore. TDDFT and ROKS models of the S 1 potential energy surface are then examined in detail for a representative BODIPY dye through molecular dynamics sampling on both model surfaces. We identify the most significant differences in the sampled surfaces and analyze these differences along selected normal modes. Differences between ROKS and TDDFT descriptions of the S 1 potential energy surface for this BODIPY derivative highlight the continuing need for validation of widely used approximations in excited state DFT through experimental benchmarking and comparison to ab initio reference data.

Tritium surface loading due to contamination of rainwater from atmospheric release at NAPS (2011)

International Nuclear Information System (INIS)

Gautam, Y.P.; Sharma, Saivajay; Rao, K.S.; Singh, Bhikam; Kumar, Avinash; Ravi, P.M.

2012-01-01

Annual tritium (HTO) surface loading has been measured and calculated for the year 2011 within 0.8 km distance from 145 m high stack of Narora Atomic Power Station (NAPS) at eight locations in different directions. The technique for measured values consists of the summation of product of tritium concentration (Bq/l) in daily rainfall samples and daily rainfall (mm). Tritium surface loading studies at NAPS reveal that a fraction 1.01E-03 of total annual tritium released through stack gets deposited on the surface due to washout/rainout of plume within 0.8 km radial distance from stack. The range of deposition velocity, Vw (m.s -1 ) i.e., the ratio of annual tritium surface loading W (Bq. m -2 .s -1 ) and annual mean tritium concentration in air, c 0 (Bq.m -3 ) at three locations for the years 2011 is found to be 6.12E-04 to 2.89E-03. The average value for wet deposition velocity V w for NAPS site is estimated as 3.17E-03 m.s -1 . (author)

Effect of surface states on the electrochemical behaviour of single crystal n-ZnSe photoelectrode

International Nuclear Information System (INIS)

El-Dessouki, M.S.

1987-10-01

Surface Photovoltage Spectroscopy (SPS) technique has been used to detect the surface states of ZnSe (110) surfaces. Aqueous electrolyte/ZnSe junction has been electrochemically investigated in dark and under illumination. The effect of surface states on the kinetics of charge transfer through the semiconductor-electrolyte (S/E) junction has been discussed. The low leakage and photocurrents measured by the application of DC bias were referred to the blocking nature of S/E interface, in which the localized and induced surface states play an important role. (author). 19 refs, 4 figs

Preparing Al-Mg Substrate for Thermal Spraying: Evaluation of Surface State After Different Pretreatments

Science.gov (United States)

Lukauskaitė, R.; Valiulis, A. V.; Černašėjus, O.; Škamat, J.; Rębiś, J. A.

2016-08-01

The article deals with the pretreatment technique for preparing the surface of aluminum alloy EN AW 5754 before thermal spray. The surface after different pretreatments, including degreasing with acetone, chemical etching with acidic and alkali solutions, grit-blasting, cathodic cleaning, and some combinations of these techniques, has been studied. The investigation of pre-treated surfaces covered the topographical study (using scanning electron microscopy, atomic force microscopy, and 3D profilometry), the chemical analysis by x-ray photoelectron spectroscopy, the evaluation of surface wettability (sessile drop method), and the assessment of surface free energy. Compared with all the techniques used in present work, the cathodic cleaning and its combination with grit-blasting provide the most preferable chemistry of the surface. Due to the absence of hydroxides at the surface and, possible, due to the diffusion of magnesium to the surface of substrate, the surface wettability and the surface free energy have been significantly improved. No direct correlation between the surface topography and the surface wettability has been established.

Effects of QD surface coverage in solid-state PbS quantum dot-sensitized solar cells

KAUST Repository

Roelofs, Katherine E.; Brennan, Thomas P.; Trejo, Orlando; Xu, John; Prinz, Fritz B.; Bent, Stacey F.

2013-01-01

Lead sulfide quantum dots (QDs) were grown in situ on nanoporous TiO 2 by successive ion layer adsorption and reaction (SILAR) and by atomic layer deposition (ALD), to fabricate solid-state quantum-dot sensitized solar cells (QDSSCs). With the ultimate goal of increasing QD surface coverage, this work compares the impact of these two synthetic routes on the light absorption and electrical properties of devices. A higher current density was observed in the SILAR-grown QD devices under reverse bias, as compared to ALD-grown QD devices, attributed to injection problems of the lower-band-gap QDs present in the SILAR-grown QD device. To understand the effects of QD surface coverage on device performance, particularly interfacial recombination, electron lifetimes were measured for varying QD deposition cycles. Electron lifetimes were found to decrease with increasing SILAR cycles, indicating that the expected decrease in recombination between electrons in the TiO2 and holes in the hole-transport material, due to increased QD surface coverage, is not the dominant effect of increased deposition cycles. © 2013 IEEE.

Effects of QD surface coverage in solid-state PbS quantum dot-sensitized solar cells

KAUST Repository

Roelofs, Katherine E.

2013-06-01

Lead sulfide quantum dots (QDs) were grown in situ on nanoporous TiO 2 by successive ion layer adsorption and reaction (SILAR) and by atomic layer deposition (ALD), to fabricate solid-state quantum-dot sensitized solar cells (QDSSCs). With the ultimate goal of increasing QD surface coverage, this work compares the impact of these two synthetic routes on the light absorption and electrical properties of devices. A higher current density was observed in the SILAR-grown QD devices under reverse bias, as compared to ALD-grown QD devices, attributed to injection problems of the lower-band-gap QDs present in the SILAR-grown QD device. To understand the effects of QD surface coverage on device performance, particularly interfacial recombination, electron lifetimes were measured for varying QD deposition cycles. Electron lifetimes were found to decrease with increasing SILAR cycles, indicating that the expected decrease in recombination between electrons in the TiO2 and holes in the hole-transport material, due to increased QD surface coverage, is not the dominant effect of increased deposition cycles. © 2013 IEEE.

Charge state analysis of heavy ions after penetration of uncleaned and sputter cleaned conducting surfaces

International Nuclear Information System (INIS)

Jung, M.; Schosnig, M.; Kroneberger, K.; Tobisch, M.; Maier, R.; Kuzel, M.; Fiedler, C.; Hofmann, D.; Groeneveld, K.O.

1994-01-01

The evolution of the charge state distribution of fast ions inside a solid is of basic interest in various research fields as stopping power measurements etc. The existing models for the charge state evolution differ in the treatment of the projectile-exit-surface interaction, which has a strong influence on the final charge state distributions. We measured the charge state distributions for C + , N + , and O + (30≤E/M≤130 keV/u) impact on thin C, Cu, and Au foils, where the surface properties were modified by sputter cleaning. The mesurements show a pronounced change of the mean projectile charge state to lower values in the case of sputter cleaned surfaces. This result underlines the importance of the projectile-surface interaction for the generation of the outcoming charge state distribution. (orig.)

Tritium surface loading due to contamination of rainwater from atmospheric release at NAPS

International Nuclear Information System (INIS)

Sharma, L.N.; Dube, B.; Varakhedkar, V.K.

2001-01-01

Annual tritium (HTO) surface loading has been measured and calculated for the year 1998-99 within 0.8 km distance from 145m high stack of Narora Atomic Power Station (NAPS) at eight locations in different directions. The technique for measured values consists of the summation of product of tritium concentration (Bq/l) in daily rainfall samples and daily rainfall (mm) whereas that for calculated values having the use of prevailing meteorological conditions and average tritium release rate during a year. The ratios of measured and calculated values of tritium surface loading during the years 1998-99 are found to be in the range of 0.18 to 6.97. Tritium surface loading studies at NAPS reveal that a fraction 1.7E-03 of total annual tritium released through stack gets deposited on the surface due to washout / rainout of plume within 0.8 km radial distance from stack. The range of deposition velocity, V w (m.s - 1 ) i.e the ratio of annual tritium surface loading W(Bq.m - 2 . s - 1 ) and annual mean tritium concentration in air, χo(Bq.m - 3) at three locations for the years 1998-99 is found to be 5.59E-04 to 5.99E-03 ms - 1 . The average value for wet deposition velocity V bar w for NAPS site is estimated as 2.92E-03 m.s - 1. (author)

Damping of surface waves due to oil emulsions in application to ocean remote sensing

Science.gov (United States)

Sergievskaya, I.; Ermakov, S.; Lazareva, T.; Lavrova, O.

2017-10-01

Applications of different radar and optical methods for detection of oil pollutions based on the effect of damping of short wind waves by surface films have been extensively studied last decades. The main problem here is poor knowledge of physical characteristics of oil films, in particular, emulsified oil layers (EOL). The latter are ranged up to 70% of all pollutants. Physical characteristics of EOL which are responsible for wave damping and respectively for possibilities of their remote sensing depend on conditions of emulsification processes, e.g., mixing due to wave breaking, on percentage of water in the oil, etc. and are not well studied by now. In this paper results of laboratory studies of damping of gravity-capillary waves due to EOL on water are presented and compared to oil layers (OL). A laboratory method used previously for monomolecular films and OL, and based on measuring the damping coefficient and wavelength of parametrically generated standing waves has been applied for determination of EOL characteristics. Investigations of characteristics of crude oil, oil emulsions and crude OL and EOL have been carried out in a wide range of surface wave frequencies (from 10 to 25 Hz) and OL and EOL film thickness (from hundredths of millimeter to a few millimeters. The selected frequency range corresponds to Bragg waves for microwave, X- to Ka-band radars typically used for ocean remote sensing. An effect of enhanced wave damping due to EOL compared to non emulsified crude OL is revealed.

Metastable states of plasma particles close to a charged surface

Energy Technology Data Exchange (ETDEWEB)

Shavlov, A. V., E-mail: shavlov@ikz.ru [The Institute of the Earth Cryosphere, RAS Siberian branch, 625000, P.O. 1230, Tyumen (Russian Federation); Tyumen State Oil and Gas University, 38, Volodarskogo St., 625000, Tyumen (Russian Federation); Dzhumandzhi, V. A. [The Institute of the Earth Cryosphere, RAS Siberian branch, 625000, P.O. 1230, Tyumen (Russian Federation)

2015-09-15

The free energy of the plasma particles and the charged surface that form an electroneutral system is calculated on the basis of the Poisson-Boltzmann equation. It is shown that, owing to correlation of light plasma particles near the charged surface and close to heavy particles of high charge, there can be metastable states in plasma. The corresponding phase charts of metastable states of the separate components of plasma, and plasma as a whole, are constructed. These charts depend on temperature, the charge magnitude, the size of the particles, and the share of the charge of the light carriers out of the total charge of the plasma particles.

Mapping of Temporal Surface-water Resources Availability and Agricultural Adaptability due to Climate Change and Anthropogenic Activity in a Hot Semi-arid Region of Maharashtra State, India

Science.gov (United States)

Roy, A.; Inamdar, A. B.

2016-12-01

Major part of Godavari River Basin is intensely drought prone and climate vulnerable in the Western Maharashtra State, India. The economy of the state depends on the agronomic productivity of this region. So, it is necessary to regulate the effects of existing and upcoming hydro-meteorological advances in various strata. This study investigates and maps the surface water resources availability and vegetation, their decadal deviations with multi-temporal LANDSAT images; and finally quantifies the agricultural adaptations. This work involves the utilization of Remote Sensing and GIS with Hydrological modeling. First, climatic trend analysis is carried out with NCEP dataset. Then, multi-temporal LANDSAT images are classified to determine the decadal LULC changes and correlated to the community level hydrological demand. Finally, NDVI, NDWI and SWAT model analysis are accomplished to determine irrigated and non-irrigated cropping area for identifying the agricultural adaptations. The analysis shows that the mean value of annual and monsoon rainfall is significantly decreasing, whereas the mean value of annual and summer temperature is increasing significantly and the winter temperature is decreasing. The analysis of LANDSAT images shows that the surface water availability is highly dependent on climatic conditions. Barren-lands are most dynamic during the study period followed by, vegetation, and water bodies. The spatial extent of barren-lands is increased drastically during the climate vulnerable years replacing the vegetation and surface water bodies. Hence, the barren lands are constantly increasing and the vegetation cover is linearly decreasing, whereas the water extent is changing either way in a random fashion. There appears a positive correlation between surface water and vegetation occurrence; as they are fluctuating in a similar fashion in all the years. The vegetation cover is densely replenished around the dams and natural water bodies which serve as the

Steady-state characteristics of lateral p-n junction vertical-cavity surface-emitting lasers

Science.gov (United States)

Ryzhii, V.; Tsutsui, N.; Khmyrova, I.; Ikegami, T.; Vaccaro, P. O.; Taniyama, H.; Aida, T.

2001-09-01

We developed an analytical device model for lateral p-n junction vertical-cavity surface-emitting lasers (LJVCSELs) with a quantum well active region. The model takes into account the features of the carrier injection, transport, and recombination in LJVCSELs as well as the features of the photon propagation in the cavity. This model is used for the calculation and analysis of the LJVCSEL steady-state characteristics. It is shown that the localization of the injected electrons primarily near the p-n junction and the reabsorption of lateral propagating photons significantly effects the LJVCSELs performance, in particular, the LJVCSEL threshold current and power-current characteristics. The reincarnation of electrons and holes due to the reabsorption of lateral propagating photons can substantially decrease the threshold current.

Investigations of surface-tension effects due to small-scale complex boundaries

Science.gov (United States)

Feng, Jiansheng

In this Ph.D. dissertation, we have investigated some important surface-tension phenomena including capillarity, wetting, and wicking. We mainly focus on the geometric aspects of these problems, and to learn about how structures affect properties. . In the first project (Chapter 2), we used numerical simulations and experiments to study the meniscus of a fluid confined in capillaries with complicated cross-sectional geometries. In the simulations, we computed the three-dimensional shapes of the menisci formed in polygonal and star-shaped capillaries with sharp or rounded corners. Height variations across the menisci were used to quantify the effect of surface tension. Analytical solutions were derived for all the cases where the cross-sectional geometry was a regular polygon or a regular star-shape. Power indices that characterize the effects of corner rounding were extracted from simulation results. These findings can serve as guide for fabrications of unconventional three-dimensional structures in Capillary Force Lithography experiments. Experimental demonstrations of the working principle was also performed. Although quantitative matching between simulation and experimental results was not achieved due to the limitation of material properties, clear qualitative trends were observed and interesting three-dimensional nano-structures were produced. A second project (Chapter 3) focused on developing techniques to produce three-dimensional hierarchically structured superhydrophobic surfaces with high aspect ratios. We experimented with two different high-throughput electron-beam-lithography processes featuring single and dual electron-beam exposures. After a surface modification procedure with a hydrophobic silane, the structured surfaces exhibited two distinct superhydrophobic behaviors---high and low adhesion. While both types of superhydrophobic surfaces exhibited very high (approximately 160° water advancing contact angles, the water receding contact angles on

Another way of looking at bonding on bimetallic surfaces: the role of spin polarization of surface metal d states

International Nuclear Information System (INIS)

Escano, M C; Nguyen, T Q; Nakanishi, H; Kasai, H

2009-01-01

The nature of electronic and chemical properties of an unstrained Pt monolayer on a 3d transition metal substrate, M (M = Cr, Mn, Fe), is studied using spin-polarized density functional theory calculations. High spin polarization of Pt d states is noted, verifying the magnetization induced on Pt, which is observed to be responsible for redirecting the analysis of bond formation on a metal surface towards a different perspective. While the shift in the Pt d band center (the average energy of the Pt d band, commonly used to predict the reactivity of surfaces) does give the expected trend in adsorbate (oxygen) chemisorption energy across the bimetallic surfaces in this work, our results show that for spin-polarized Pt d states, the variation in strength of adsorption with respect to the Fermi level density of states is more predictive of Pt chemisorption properties. Hence, this study introduces a scheme for analyzing trends in reactivity of bimetallic surfaces where adsorption energies are used as reactivity parameters and where spin polarization effects cannot be neglected. (fast track communication)

Global potential energy surface of ground state singlet spin O4

Science.gov (United States)

Mankodi, Tapan K.; Bhandarkar, Upendra V.; Puranik, Bhalchandra P.

2018-02-01

A new global potential energy for the singlet spin state O4 system is reported using CASPT2/aug-cc-pVTZ ab initio calculations. The geometries for the six-dimensional surface are constructed using a novel point generation scheme that employs randomly generated configurations based on the beta distribution. The advantage of this scheme is apparent in the reduction of the number of required geometries for a reasonably accurate potential energy surface (PES) and the consequent decrease in the overall computational effort. The reported surface matches well with the recently published singlet surface by Paukku et al. [J. Chem. Phys. 147, 034301 (2017)]. In addition to the O4 PES, the ground state N4 PES is also constructed using the point generation scheme and compared with the existing PES [Y. Paukku et al., J. Chem. Phys. 139, 044309 (2013)]. The singlet surface is constructed with the aim of studying high energy O2-O2 collisions and predicting collision induced dissociation cross section to be used in simulating non-equilibrium aerothermodynamic flows.

Two photon processes in surface photovoltage spectroscopy

International Nuclear Information System (INIS)

Craig, R.P.; Thurgate, S.M.

1996-01-01

Full text: A significant mid-gap effect has been found in Surface Photovoltage Spectroscopy measurements of cleaved GaAs, InP and Si wafer which is normally interpreted as arising from transitions between surface states and band edges. This large mid-gap effect common to various materials is puzzling as such a high proportion of mid-gap states seems unlikely. Most theories of surface states predict states that tail from the band edges into the gap or states that have a well defined energy in the gap. None propose a large state exactly at E G /2. We recently investigated the variation in SPS spectra with flux density. We find a non-linear correlation in the magnitude of Band-Bending arising from mid-gap and band-gap photon energies. We suggest that the mid-gap feature is due to a two photon absorption process leading to carrier pair generation mediated by mid-gap states in the continuum of band-gap surface states

Surface energies of metals in both liquid and solid states

International Nuclear Information System (INIS)

Aqra, Fathi; Ayyad, Ahmed

2011-01-01

Although during the last years one has seen a number of systematic studies of the surface energies of metals, the aim and the scientific meaning of this research is to establish a simple and a straightforward theoretical model to calculate accurately the mechanical and the thermodynamic properties of metal surfaces due to their important application in materials processes and in the understanding of a wide range of surface phenomena. Through extensive theoretical calculations of the surface tension of most of the liquid metals, we found that the fraction of broken bonds in liquid metals (f) is constant which is equal to 0.287. Using our estimated f value, the surface tension (γ m ), surface energy (γ SV ), surface excess entropy (-dγ/dT), surface excess enthalpy (H s ), coefficient of thermal expansion (α m and α b ), sound velocity (c m ) and its temperature coefficient (-dc/dT) have been calculated for more than sixty metals. The results of the calculated quantities agree well with available experimental data.

Realization of Multi-Stable Ground States in a Nematic Liquid Crystal by Surface and Electric Field Modification

Science.gov (United States)

Gwag, Jin Seog; Kim, Young-Ki; Lee, Chang Hoon; Kim, Jae-Hoon

2015-06-01

Owing to the significant price drop of liquid crystal displays (LCDs) and the efforts to save natural resources, LCDs are even replacing paper to display static images such as price tags and advertising boards. Because of a growing market demand on such devices, the LCD that can be of numerous surface alignments of directors as its ground state, the so-called multi-stable LCD, comes into the limelight due to the great potential for low power consumption. However, the multi-stable LCD with industrial feasibility has not yet been successfully performed. In this paper, we propose a simple and novel configuration for the multi-stable LCD. We demonstrate experimentally and theoretically that a battery of stable surface alignments can be achieved by the field-induced surface dragging effect on an aligning layer with a weak surface anchoring. The simplicity and stability of the proposed system suggest that it is suitable for the multi-stable LCDs to display static images with low power consumption and thus opens applications in various fields.

Electronic interconnects and devices with topological surface states and methods for fabricating same

Science.gov (United States)

Yazdani, Ali; Ong, N. Phuan; Cava, Robert J.

2016-05-03

An interconnect is disclosed with enhanced immunity of electrical conductivity to defects. The interconnect includes a material with charge carriers having topological surface states. Also disclosed is a method for fabricating such interconnects. Also disclosed is an integrated circuit including such interconnects. Also disclosed is a gated electronic device including a material with charge carriers having topological surface states.

Electronic interconnects and devices with topological surface states and methods for fabricating same

Energy Technology Data Exchange (ETDEWEB)

Yazdani, Ali; Ong, N. Phuan; Cava, Robert J.

2017-04-04

An interconnect is disclosed with enhanced immunity of electrical conductivity to defects. The interconnect includes a material with charge carriers having topological surface states. Also disclosed is a method for fabricating such interconnects. Also disclosed is an integrated circuit including such interconnects. Also disclosed is a gated electronic device including a material with charge carriers having topological surface states.

Scanning tunneling microscopy study of the possible topological surface states in BiTeCl

International Nuclear Information System (INIS)

Yan, Y J; Ren, M Q; Liu, X; Huang, Z C; Jiang, J; Fan, Q; Miao, J; Xie, B P; Zhang, T; Feng, D L; Xiang, F; Wang, X

2015-01-01

Recently, the non-centrosymmetric bismuth tellurohalides such as BiTeCl are being studied as possible candidates for topological insulators. While some photoemission studies showed that BiTeCl is an inversion asymmetric topological insulator, others showed that it is a normal semiconductor with Rashba splitting. Meanwhile, first-principle calculations have failed to confirm the existence of topological surface states in BiTeCl so far. Therefore, the topological nature of BiTeCl requires further investigation. Here we report a low-temperature scanning tunneling microscopy study on the surface states of BiTeCl single crystals. On the tellurium (Te) -terminated surfaces with relatively low defect density, evidence for topological surface states is observed in the quasi-particle interference patterns, both in the anisotropy of the scattering vectors and the fast decay of the interference near the step edges. Meanwhile, on the samples with much higher defect densities, we observed surface states that behave differently. Our results may help to resolve the current controversy on the topological nature of BiTeCl. (paper)

Frequency hopping due to acousto-electric interaction in ZnO based surface acoustic wave oscillator

Science.gov (United States)

Dasgupta, Daipayan; Sreenivas, K.

2011-08-01

A 36 MHz surface acoustic wave delay line based oscillator has been used to study the effect of acousto-electric interaction due to photo generated charge carriers in rf sputtered ZnO film under UV illumination (λ = 365 nm, 20-100 μW/cm2). Design aspects for developing a delay line based SAW oscillator are specified. The observed linear downshift in frequency (2.2 to 19.0 kHz) with varying UV intensity (20-100 μW/cm2) is related to the fractional velocity change due to acousto-electric interaction. UV illumination level of 100 μW/cm2 leads to a characteristic frequency hopping behavior arising due to a change in the oscillation criteria, and is attributed to the complex interplay between the increased attenuation and velocity shift.

Methodology for estimation of time-dependent surface heat flux due to cryogen spray cooling.

Science.gov (United States)

Tunnell, James W; Torres, Jorge H; Anvari, Bahman

2002-01-01

Cryogen spray cooling (CSC) is an effective technique to protect the epidermis during cutaneous laser therapies. Spraying a cryogen onto the skin surface creates a time-varying heat flux, effectively cooling the skin during and following the cryogen spurt. In previous studies mathematical models were developed to predict the human skin temperature profiles during the cryogen spraying time. However, no studies have accounted for the additional cooling due to residual cryogen left on the skin surface following the spurt termination. We formulate and solve an inverse heat conduction (IHC) problem to predict the time-varying surface heat flux both during and following a cryogen spurt. The IHC formulation uses measured temperature profiles from within a medium to estimate the surface heat flux. We implement a one-dimensional sequential function specification method (SFSM) to estimate the surface heat flux from internal temperatures measured within an in vitro model in response to a cryogen spurt. Solution accuracy and experimental errors are examined using simulated temperature data. Heat flux following spurt termination appears substantial; however, it is less than that during the spraying time. The estimated time-varying heat flux can subsequently be used in forward heat conduction models to estimate temperature profiles in skin during and following a cryogen spurt and predict appropriate timing for onset of the laser pulse.

Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Chen Li [Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, Goettingen (Germany); Ueta, Hirokazu; Beck, Rainer D. [Laboratoire de Chimie Physique Moleculaire, Ecole Polytechnique Federale de Lausanne (Switzerland); Bisson, Regis [Aix-Marseille Universite, PIIM, CNRS, UMR 7345, 13397 Marseille (France)

2013-05-15

We report the design and characterization of a new molecular-beam/surface-science apparatus for quantum state-resolved studies of gas/surface reaction dynamics combining optical state-specific reactant preparation in a molecular beam by rapid adiabatic passage with detection of surface-bound reaction products by reflection absorption infrared spectroscopy (RAIRS). RAIRS is a non-invasive infrared spectroscopic detection technique that enables online monitoring of the buildup of reaction products on the target surface during reactant deposition by a molecular beam. The product uptake rate obtained by calibrated RAIRS detection yields the coverage dependent state-resolved reaction probability S({theta}). Furthermore, the infrared absorption spectra of the adsorbed products obtained by the RAIRS technique provide structural information, which help to identify nascent reaction products, investigate reaction pathways, and determine branching ratios for different pathways of a chemisorption reaction. Measurements of the dissociative chemisorption of methane on Pt(111) with this new apparatus are presented to illustrate the utility of RAIRS detection for highly detailed studies of chemical reactions at the gas/surface interface.

Transient thermal stresses in an orthotropic finite rectangular plate due to arbitrary surface heat-generations

International Nuclear Information System (INIS)

Sugano, Y.

1980-01-01

The transient thermal stresses in an orthotropic finite rectangular plate due to arbitrary surface heat-generations on two edges are studied by means of the Airy stress function. The purposes of this paper are to present a method of determing the transient thermal stresses in an orthographic rectangular plate with four edges of distinct thermal boundary condition of the third kind which exactly satisfy the traction-free conditions of shear stress over all boundaries including four corners of the plate, and to consider the effects of the anisotropies of material properties and the convective heat transfer on the upper and lower surfaces on the thermal stress distribution. (orig.)

Potential Energy Surface of NO on Pt(997: Adsorbed States and Surface Diffusion

Directory of Open Access Journals (Sweden)

N. Tsukahara

2012-01-01

Full Text Available The potential energy surface (PES of NO on Pt(997 has been elucidated: the adsorption states and diffusion processes of NO on Pt(997 at low coverage were investigated by using infrared reflection absorption spectroscopy (IRAS and scanning tunneling microscopy (STM. When NO molecules adsorb on a surface at a low temperature (11 K, each molecule transiently migrates on the surface from the first impact point to a possible adsorption site. We found that there are four stable adsorption sites for NO on Pt(997: a bridge site of the upper step, an fcc- (or hcp- hollow site of the terrace, an on-top site of the terrace, and an fcc-hollow site of the lower step. At higher temperatures above 45 K, NO molecules start to migrate thermally to more stable adsorption sites on a terrace, and they are finally trapped at the bridge sites of the step, which are the most stable among the four sites.

Rydberg-state reionization of multiply charged ions escaping from solid surfaces

International Nuclear Information System (INIS)

Nedeljkovic, Lj.D.; Nedeljkovic, N.N.

2003-01-01

Reionization rates of Rydberg states (n>>1 and l=0, 1, and 2) of multiply charged ionic projectiles escaping solid surfaces are calculated. These rates are obtained in an analytic form as a function of the ion-surface distance R. A phenomenological model of the reionization process, based on two-state quantum dynamics, is adopted for the vicinity of the potential barrier top. The results of calculations show that ionization rates for different Rydberg states are strictly localized and relatively separated. Universality of the reionization rate as a function of the scaling parameter α, describing the turning point configurations, is demonstrated. The reionization is discussed within the framework of a nonresonant population-reionization process at intermediate ionic velocities (v∼1 a.u.). The influence of reionization on the population of ionic Rydberg states is expressed in terms of a renormalized neutralization rate. It is demonstrated that the reionization effect significantly changes the population curves for all Rydberg states. The population curves obtained correlate with beam-foil experimental data concerning the S VI, Cl VII, and Ar VIII ions

Direct measurement of surface-state conductance by microscopic four-point probe method

DEFF Research Database (Denmark)

Hasegawa, S.; Shiraki, I.; Tanikawa, T.

2002-01-01

For in situ measurements of local electrical conductivity of well defined crystal surfaces in ultrahigh vacuum, we have developed microscopic four-point probes with a probe spacing of several micrometres, installed in a scanning-electron - microscope/electron-diffraction chamber. The probe...... is precisely positioned on targeted areas of the sample surface by using piezoactuators. This apparatus enables conductivity measurement with extremely high surface sensitivity, resulting in direct access to surface-state conductivity of the surface superstructures, and clarifying the influence of atomic steps...

Ion bombardment effects on surface states in selected oxide systems: rutile and alkaline earth titanates

International Nuclear Information System (INIS)

Gruen, D.M.

1978-01-01

In this paper, the nature of the surface states of n-type TiO 2 and SrTiO 3 is discussed and the role of ion bombardment in modifying the properties of these states is elucidated. Insofar as possible, the interrelationships between oxide nonstoichiometry, surface states, ion bombardment effects and photoelectrolysis are explored

Absorption enhancement in type-II coupled quantum rings due to existence of quasi-bound states

Science.gov (United States)

Hsieh, Chi-Ti; Lin, Shih-Yen; Chang, Shu-Wei

2018-02-01

The absorption of type-II nanostructures is often weaker than type-I counterpart due to spatially separated electrons and holes. We model the bound-to-continuum absorption of type-II quantum rings (QRs) using a multiband source-radiation approach using the retarded Green function in the cylindrical coordinate system. The selection rules due to the circular symmetry for allowed transitions of absorption are utilized. The bound-tocontinuum absorptions of type-II GaSb coupled and uncoupled QRs embedded in GaAs matrix are compared here. The GaSb QRs act as energy barriers for electrons but potential wells for holes. For the coupled QR structure, the region sandwiched between two QRs forms a potential reservoir of quasi-bound electrons. Electrons in these states, though look like bound ones, would ultimately tunnel out of the reservoir through barriers. Multiband perfectly-matched layers are introduced to model the tunneling of quasi-bound states into open space. Resonance peaks are observed on the absorption spectra of type-II coupled QRs due to the formation of quasi-bound states in conduction bands, but no resonance exist in the uncoupled QR. The tunneling time of these metastable states can be extracted from the resonance and is in the order of ten femtoseconds. Absorption of coupled QRs is significantly enhanced as compared to that of uncoupled ones in certain spectral windows of interest. These features may improve the performance of photon detectors and photovoltaic devices based on type-II semiconductor nanostructures.

Surface crack testing - state of technique and trends in development

International Nuclear Information System (INIS)

1991-01-01

This Seminar contains 12 lectures on the following subjects: State of technique in magnetic powder testing (K. Goebbels); Recognisability of faults and probability of faults in surface crack testing (W. Morgner); Requirements for picture processing systems for proving and assessing crack indications (M. Stadthaus); Possibilities and limits of automatic crack recognition in magnetic powder testing (V. Deutsch); Development of equipment for eddy current testing (M. Junger); Signal processing - a way of improving the recognisability of faults in eddy current testing (R. Becker); Methods of testing steel products for surface faults and their practical limits of fault recognisability (D. Thiery); Surface crack testing in pipe manufacture (R. Pawelletz); Surface crack testing in powerstation construction (L. v. Bernus); Trends in automation in surface crack testing (G. Maier); Eddy current testing in engine construction (E. Dickhaut); Eddy current testing in aircraft repair (F. Schur). (orig.) [de

Modulation of aerosol radiative forcing due to mixing state in clear and cloudy-sky: A case study from Delhi National Capital Region, India

Science.gov (United States)

Srivastava, Parul; Dey, Sagnik; Srivastava, Atul K.; Singh, Sachchidanand; Tiwari, Suresh; Agarwal, Poornima

2016-04-01

.4, 2.2±1.1, -1.4±1.4, -0.15±0.13, while, surface ARF is -16.4±3.1, -7.6±1.7, -31.5±4.7, -17.1±8.4, respectively for the MAMJ, JAS, ON and DJF seasons. Post-monsoon and winter season shows negative values of TOA ARF, hence suggest 'cooling'. The associated heating rate profiles show higher values for 'WS-BC+Dust+WINS' case as compared to other cases, with relatively large values during the winter and post-monsoon seasons, while lower value was observed for 'BC-WINS+WS+Dust'. We examined the modulation of clear sky ARF by 'water-cloud' and 'ice-cloud' separately. The seasonal mean ARF for both water and ice clouds show nearly similar characteristics as observed for clear-sky case, with relatively large ARF at TOA and surface in water cloud case as compared to ice cloud during all the seasons. As a result, the associated heating rate is also relatively higher in water cloud case as compared to ice cloud. Such large modulation of ARF due to mixing state calls for a coordinated effort to create a mixing state database for this region to reduce the uncertainty in climate forcing.

Transient surface states during the CBE growth of GaAs

Science.gov (United States)

Farrell, T.; Hill, D.; Joyce, T. B.; Bullough, T. J.; Weightman, P.

1997-05-01

We report the occurrence of a transient surface state during the initial stages of CBE GaAs(0 0 1) growth. The state was detected in real-time reflectance ( R) and reflectance anisotropy spectroscopy (RAS) growth monitoring. At low growth rates, less than 1 μm/h, beam equivalent pressure (BEP) of triethylgallium (TEG) BEPs there was a rapid increase in R at all monitoring wavelengths, followed by a monotonic decay to its pre-growth value. This transient increase in R was accompanied by a change in the RAS signal, the magnitude and sign of which varied with wavelength. The initial increase in R is shown to be associated with the development of a metallic-like surface whereas the changes in the RAS signal are consistent with the formation of Ga dimers.

Free energy surfaces in the superconducting mixed state

Science.gov (United States)

Finnemore, D. K.; Fang, M. M.; Bansal, N. P.; Farrell, D. E.

1989-01-01

The free energy surface for Tl2Ba2Ca2Cu3O1O has been measured as a function of temperature and magnetic field to determine the fundamental thermodynamic properties of the mixed state. The change in free energy, G(H)-G(O), is found to be linear in temperature over a wide range indicating that the specific heat is independent of field.

Freezing of Water Droplet due to Evaporation

Science.gov (United States)

Satoh, Isao; Fushinobu, Kazuyoshi; Hashimoto, Yu

In this study, the feasibility of cooling/freezing of phase change.. materials(PCMs) due to evaporation for cold storage systems was experimentally examined. A pure water was used as the test PCM, since the latent heat due to evaporation of water is about 7 times larger than that due to freezing. A water droplet, the diameter of which was 1-4 mm, was suspended in a test cell by a fine metal wire (O. D.= 100μm),and the cell was suddenly evacuated up to the pressure lower than the triple-point pressure of water, so as to enhance the evaporation from the water surface. Temperature of the droplet was measured by a thermocouple, and the cooling/freezing behavior and the temperature profile of the droplet surface were captured by using a video camera and an IR thermo-camera, respectively. The obtained results showed that the water droplet in the evacuated cell is effectively cooled by the evaporation of water itself, and is frozen within a few seconds through remarkable supercooling state. When the initial temperature of the droplet is slightly higher than the room temperature, boiling phenomena occur in the droplet simultaneously with the freezing due to evaporation. Under such conditions, it was shown that the degree of supercooling of the droplet is reduced by the bubbles generated in the droplet.

Passivation of surface states of α-Fe2O3(0001) surface by deposition of Ga2O3 overlayers: A density functional theory study.

Science.gov (United States)

Ulman, Kanchan; Nguyen, Manh-Thuong; Seriani, Nicola; Gebauer, Ralph

2016-03-07

There is a big debate in the community regarding the role of surface states of hematite in the photoelectrochemical water splitting. Experimental studies on non-catalytic overlayers passivating the hematite surface states claim a favorable reduction in the overpotential for the water splitting reaction. As a first step towards understanding the effect of these overlayers, we have studied the system Ga2O3 overlayers on hematite (0001) surfaces using first principles computations in the PBE+U framework. Our computations suggest that stoichiometric terminations of Ga2O3 overlayers are energetically more favored than the bare surface, at ambient oxygen chemical potentials. Energetics suggest that the overlayers prefer to grow via a layer-plus-island (Stranski-Krastanov) growth mode with a critical layer thickness of 1-2 layers. Thus, a complete wetting of the hematite surface by an overlayer of gallium oxide is thermodynamically favored. We establish that the effect of deposition of the Ga2O3 overlayers on the bare hematite surface is to passivate the surface states for the stoichiometric termination. For the oxygen terminated surface which is the most stable termination under photoelectrochemical conditions, the effect of deposition of the Ga2O3 overlayer is to passivate the hole-trapping surface state.

Charge-state distribution of MeV He ions scattered from the surface atoms

International Nuclear Information System (INIS)

Kimura, Kenji; Ohtsuka, Hisashi; Mannami, Michihiko

1993-01-01

The charge-state distribution of 500-keV He ions scattered from a SnTe (001) surface has been investigated using a new technique of high-resolution high-energy ion scattering spectroscopy. The observed charge-state distribution of ions scattered from the topmost atomic layer coincides with that of ions scattered from the subsurface region and does not depend on the incident charge state but depends on the exit angle. The observed exit-angle dependence is explained by a model which includes the charge-exchange process with the valence electrons in the tail of the electron distribution at the surface. (author)

Passivating surface states on water splitting hematite photoanodes with alumina overlayers

KAUST Repository

Le Formal, Florian; Té treault, Nicolas; Cornuz, Maurin; Moehl, Thomas; Grä tzel, Michael; Sivula, Kevin

2011-01-01

Hematite is a promising material for inexpensive solar energy conversion via water splitting but has been limited by the large overpotential (0.5-0.6 V) that must be applied to afford high water oxidation photocurrent. This has conventionally been addressed by coating it with a catalyst to increase the kinetics of the oxygen evolution reaction. However, surface recombination at trapping states is also thought to be an important factor for the overpotential, and herein we investigate a strategy to passivate trapping states using conformal overlayers applied by atomic layer deposition. While TiO2 overlayers show no beneficial effect, we find that an ultra-thin coating of Al2O3 reduces the overpotential required with state-of-the-art nano-structured photo-anodes by as much as 100 mV and increases the photocurrent by a factor of 3.5 (from 0.24 mA cm-2 to 0.85 mA cm-2) at +1.0 V vs. the reversible hydrogen electrode (RHE) under standard illumination conditions. The subsequent addition of Co2+ ions as a catalyst further decreases the overpotential and leads to a record photocurrent density at 0.9 V vs. RHE (0.42 mA cm-2). A detailed investigation into the effect of the Al2O3 overlayer by electrochemical impedance and photoluminescence spectroscopy reveals a significant change in the surface capacitance and radiative recombination, respectively, which distinguishes the observed overpotential reduction from a catalytic effect and confirms the passivation of surface states. Importantly, this work clearly demonstrates that two distinct loss processes are occurring on the surface of high-performance hematite and suggests a viable route to individually address them. © The Royal Society of Chemistry 2011.

Passivating surface states on water splitting hematite photoanodes with alumina overlayers

KAUST Repository

Le Formal, Florian

2011-01-24

Hematite is a promising material for inexpensive solar energy conversion via water splitting but has been limited by the large overpotential (0.5-0.6 V) that must be applied to afford high water oxidation photocurrent. This has conventionally been addressed by coating it with a catalyst to increase the kinetics of the oxygen evolution reaction. However, surface recombination at trapping states is also thought to be an important factor for the overpotential, and herein we investigate a strategy to passivate trapping states using conformal overlayers applied by atomic layer deposition. While TiO2 overlayers show no beneficial effect, we find that an ultra-thin coating of Al2O3 reduces the overpotential required with state-of-the-art nano-structured photo-anodes by as much as 100 mV and increases the photocurrent by a factor of 3.5 (from 0.24 mA cm-2 to 0.85 mA cm-2) at +1.0 V vs. the reversible hydrogen electrode (RHE) under standard illumination conditions. The subsequent addition of Co2+ ions as a catalyst further decreases the overpotential and leads to a record photocurrent density at 0.9 V vs. RHE (0.42 mA cm-2). A detailed investigation into the effect of the Al2O3 overlayer by electrochemical impedance and photoluminescence spectroscopy reveals a significant change in the surface capacitance and radiative recombination, respectively, which distinguishes the observed overpotential reduction from a catalytic effect and confirms the passivation of surface states. Importantly, this work clearly demonstrates that two distinct loss processes are occurring on the surface of high-performance hematite and suggests a viable route to individually address them. © The Royal Society of Chemistry 2011.

Electromagnetically induced transparency and absorption due to optical and ground-state coherences in 6Li

International Nuclear Information System (INIS)

Fuchs, J; Duffy, G J; Rowlands, W J; Lezama, A; Hannaford, P; Akulshin, A M

2007-01-01

We present an experimental study of sub-natural width resonances in fluorescence from a collimated beam of 6 Li atoms excited on the D 1 and D 2 lines by a bichromatic laser field. We show that in addition to ground-state Zeeman coherence, coherent population oscillations between ground and excited states contribute to the sub-natural resonances. High-contrast resonances of electromagnetically induced transparency and electromagnetically induced absorption due to both effects, i.e., ground-state Zeeman coherence and coherent population oscillations, are observed

Quantum surface tension in ideal gases

International Nuclear Information System (INIS)

Sisman, A.

2005-01-01

Due to wave character of atoms, an ideal gas confined in a finite domain exhibits Casimir like size effects. These effects become appreciable in a domain with at least one dimension in the order of micron. On this scale, thermodynamic state functions of an ideal gas become shape and size dependent and some new effects appear. In the literature, only some domains of regular shapes have been considered. In this study, the results are generalized to a domain of an arbitrary shape by using Weyl s conjecture for density of states. It is seen that free energy expression of an ideal Maxwellian gas consists of a classical volume dependent term and also a quantum originated surface dependent term, which causes a quantum surface tension. In a rectangular box filled by an ideal gas and separated by a movable wall into two parts, it is shown that a lateral force appears on the movable wall due to quantum surface tension

Ab initio study of the electron-phonon coupling at the Cr(001) surface

Science.gov (United States)

Peters, L.; Rudenko, A. N.; Katsnelson, M. I.

2018-04-01

It is experimentally well established that the Cr(001) surface exhibits a sharp resonance around the Fermi level. However, there is no consensus about its physical origin. It is proposed to be either due to a single particle dz2 surface state renormalized by electron-phonon coupling or the orbital Kondo effect involving the degenerate dx z/ dy z states. In this paper we examine the electron-phonon coupling of the Cr(001) surface by means of ab-initio calculations in the form of density functional perturbation theory. More precisely, the electron-phonon mass-enhancement factor of the surface layer is investigated for the 3d states. For the majority and minority spin dz2 surface states we find values of 0.19 and 0.16. We show that these calculated electron-phonon mass-enhancement factors are not in agreement with the experimental data even if we use realistic values for the temperature range and surface Debye frequency for the fit of the experimental data. More precisely, then experimentally an electron-phonon mass-enhancement factor of 0.70 ±0.10 is obtained, which is not in agreement with our calculated values of 0.19 and 0.16. Our findings suggest that the experimentally observed resonance at the Cr(001) surface is not due to electron-phonon effects but due to electron-electron correlation effects.

Quantum State-Resolved Collision Dynamics of Nitric Oxide at Ionic Liquid and Molten Metal Surfaces

Science.gov (United States)

Zutz, Amelia Marie

Detailed molecular scale interactions at the gas-liquid interface are explored with quantum state-to-state resolved scattering of a jet-cooled beam of NO(2pi1/2; N = 0) from ionic liquid and molten metal surfaces. The scattered distributions are probed via laser-induced fluorescence methods, which yield rotational and spin-orbit state populations that elucidate the dynamics of energy transfer at the gas-liquid interface. These collision dynamics are explored as a function of incident collision energy, surface temperature, scattering angle, and liquid identity, all of which are found to substantially affect the degree of rotational, electronic and vibrational excitation of NO via collisions at the liquid surface. Rotational distributions observed reveal two distinct scattering pathways, (i) molecules that trap, thermalize and eventually desorb from the surface (trapping-desorption, TD), and (ii) those that undergo prompt recoil (impulsive scattering, IS) prior to complete equilibration with the liquid surface. Thermally desorbing NO molecules are found to have rotational temperatures close to, but slightly cooler than the surface temperature, indicative of rotational dependent sticking probabilities on liquid surfaces. Nitric oxide is a radical with multiple low-lying electronic states that serves as an ideal candidate for exploring nonadiabatic state-changing collision dynamics at the gas-liquid interface, which induce significant excitation from ground (2pi1/2) to excited (2pi 3/2) spin-orbit states. Molecular beam scattering of supersonically cooled NO from hot molten metals (Ga and Au, Ts = 300 - 1400 K) is also explored, which provide preliminary evidence for vibrational excitation of NO mediated by thermally populated electron-hole pairs in the hot, conducting liquid metals. The results highlight the presence of electronically nonadiabatic effects and build toward a more complete characterization of energy transfer dynamics at gas-liquid interfaces.

Removal of dangling bonds and surface states on silicon (001) with a monolayer of selenium

International Nuclear Information System (INIS)

Tao Meng; Udeshi, Darshak; Basit, Nasir; Maldonado, Eduardo; Kirk, Wiley P.

2003-01-01

Dangling bonds and surface states are inherent to semiconductor surfaces. By passivating dangling bonds on the silicon (001) surface with a monolayer of selenium, surface states are removed from the band gap. Magnesium contacts on selenium-passivated silicon (001) behave ohmically, as expected from the work function of magnesium and the electron affinity of silicon. After rapid thermal annealing and hot-plate annealing, magnesium contacts on selenium-passivated silicon (001) show better thermal stability than on hydrogen-passivated silicon (001), which is attributed to the suppression of silicide formation by selenium passivation

An all-silicon laser by coupling between electronic localized states and defect states of photonic crystal

Energy Technology Data Exchange (ETDEWEB)

Huang Weiqi, E-mail: WQHuang2001@yahoo.com [Institute of Nanophotonic Physics, Key Laboratory of Photoelectron Technology and Application, Guizhou University, Guiyang 550025 (China); Huang Zhongmei; Miao Xinjiang; Cai Chenlan; Liu Jiaxin; Lue Quan [Institute of Nanophotonic Physics, Key Laboratory of Photoelectron Technology and Application, Guizhou University, Guiyang 550025 (China); Liu Shirong, E-mail: Shirong@yahoo.com [State Key Laboratory of Ore Deposit Geochemistry Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550003 (China); Qin Chaojian [State Key Laboratory of Ore Deposit Geochemistry Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550003 (China)

2012-01-15

In a nano-laser of Si quantum dots (QD), the smaller QD fabricated by nanosecond pulse laser can form the pumping level tuned by the quantum confinement (QC) effect. Coupling between the active centers formed by localized states of surface bonds and the two-dimensional (2D) photonic crystal is used to select model in the nano-laser. The experimental demonstration is reported in which the peaks of stimulated emission at about 600 nm and 700 nm were observed on the Si QD prepared in oxygen after annealing which improves the stimulated emission. It is interesting to make a comparison between the localized electronic states in gap due to defect formed by surface bonds and the localized photonic states in gap of photonic band due to defect of 2D photonic crystal.

Alloyed surfaces: New substrates for graphene growth

Science.gov (United States)

Tresca, C.; Verbitskiy, N. I.; Fedorov, A.; Grüneis, A.; Profeta, G.

2017-11-01

We report a systematic ab-initio density functional theory investigation of Ni(111) surface alloyed with elements of group IV (Si, Ge and Sn), demonstrating the possibility to use it to grow high quality graphene. Ni(111) surface represents an ideal substrate for graphene, due to its catalytic properties and perfect matching with the graphene lattice constant. However, Dirac bands of graphene growth on Ni(111) are completely destroyed due to the strong hybridization between carbon pz and Ni d orbitals. Group IV atoms, namely Si, Ge and Sn, once deposited on Ni(111) surface, form an ordered alloyed surface with √{ 3} ×√{ 3} -R30° reconstruction. We demonstrate that, at variance with the pure Ni(111) surface, alloyed surfaces effectively decouple graphene from the substrate, resulting unstrained due to the nearly perfect lattice matching and preserves linear Dirac bands without the strong hybridization with Ni d states. The proposed surfaces can be prepared before graphene growth without resorting on post-growth processes which necessarily alter the electronic and structural properties of graphene.

Energy of surface states for 3D magnetic Schrödinger operators

DEFF Research Database (Denmark)

Nasrallah, Marwa

In this dissertation, we study the Schrödinger operator with magnetic field in a three dimensional domain with compact smooth boundary. Functions in the domain of the operator satisfy (magnetic) Neumann condition on the boundary. The operator depends on the semi-classical parameter....... As this parameter becomes small, certain eigenfunctions of the operator are localized near the boundary of the domain, hence they will be called surface states. The main result of this dissertation is the calculation of the leading order terms of the energy and the number of surface states when the semi-classical...

The response of surface ozone to climate change over the Eastern United States

Directory of Open Access Journals (Sweden)

P. N. Racherla

2008-02-01

Full Text Available We investigate the response of surface ozone (O₃ to future climate change in the eastern United States by performing simulations corresponding to present (1990s and future (2050s climates using an integrated model of global climate, tropospheric gas-phase chemistry, and aerosols. A future climate has been imposed using ocean boundary conditions corresponding to the IPCC SRES A2 scenario for the 2050s decade. Present-day anthropogenic emissions and CO₂/CH₄ mixing ratios have been used in both simulations while climate-sensitive emissions were allowed to vary with the simulated climate. The severity and frequency of O₃ episodes in the eastern U.S. increased due to future climate change, primarily as a result of increased O₃ chemical production. The 95th percentile O₃ mixing ratio increased by 5 ppbv and the largest frequency increase occured in the 80–90 ppbv range; the US EPA's current 8-h ozone primary standard is 80 ppbv. The increased O₃ chemical production is due to increases in: 1 natural isoprene emissions; 2 hydroperoxy radical concentrations resulting from increased water vapor concentrations; and, 3 NO_x concentrations resulting from reduced PAN. The most substantial and statistically significant (p<0.05 increases in episode frequency occurred over the southeast and midatlantic U.S., largely as a result of 20% higher annual-average natural isoprene emissions. These results suggest a lengthening of the O₃ season over the eastern U.S. in a future climate to include late spring and early fall months. Increased chemical production and shorter average lifetime are two consistent features of the seasonal response of surface O₃, with increased dry deposition loss rates contributing most to the reduced lifetime in all seasons except summer. Significant interannual variability is observed in the frequency of O₃

Assessment of damage to the desert surfaces of Kuwait due to the Gulf War

International Nuclear Information System (INIS)

El-Baz, F.; Al-Ajmi, D.

1993-01-01

This is a preliminary report on a joint research project by Boston University and the Kuwait Institute for Scientific Research that commenced in April 1992. The project aim is to establish the extent and nature of environmental damage to the desert surface and coastal zone of Kuwait due to the Gulf War and its aftermath. Change detection image enhancement techniques were employed to enhance environmental change by comparison of Landsat Thematic Mapper images obtained before the wars and after the cessation of the oil and well fires. Higher resolution SPOT images were also utilized to evaluate the nature of the environmental damage to specific areas. The most prominent changes were due to: (1) the deposition of oil and course-grained soot on the desert surface as a result of ''oil rain'' from the plume that emanated from the oil well fires; (2) the formation of hundreds of oil lakes, from oil seepage at the damaged oil well heads; (3) the mobilization of sand and dust and (4) the pollution of segments of the coastal zone by the deposition of oil from several oil spills. Interpretation of satellite image data are checked in the field to confirm the observations, and to assess the nature of the damage. Final results will be utilized in establishing the needs for remedial action to counteract the harmful effects of the various types of damage to the environment of Kuwait

Real-space Mapping of Surface Trap States in CIGSe Nanocrystals using 4D Electron Microscopy

KAUST Repository

Bose, Riya

2016-05-26

Surface trap states in semiconductor copper indium gallium selenide nanocrystals (NCs) which serve as undesirable channels for non-radiative carrier recombination, remain a great challenge impeding the development of solar and optoelectronics devices based on these NCs. In order to design efficient passivation techniques to minimize these trap states, a precise knowledge about the charge carrier dynamics on the NCs surface is essential. However, selective mapping of surface traps requires capabilities beyond the reach of conventional laser spectroscopy and static electron microscopy; it can only be accessed by using a one-of-a-kind, second-generation four-dimensional scanning ultrafast electron microscope (4D S-UEM) with sub-picosecond temporal and nanometer spatial resolutions. Here, we precisely map the surface charge carrier dynamics of copper indium gallium selenide NCs before and after surface passivation in real space and time using S-UEM. The time-resolved snapshots clearly demonstrate that the density of the trap states is significantly reduced after zinc sulfide (ZnS) shelling. Furthermore, removal of trap states and elongation of carrier lifetime are confirmed by the increased photocurrent of the self-biased photodetector fabricated using the shelled NCs.

Real-space Mapping of Surface Trap States in CIGSe Nanocrystals using 4D Electron Microscopy

KAUST Repository

Bose, Riya; Bera, Ashok; Parida, Manas R.; Adhikari, Aniruddha; Shaheen, Basamat; Alarousu, Erkki; Sun, Jingya; Wu, Tao; Bakr, Osman; Mohammed, Omar F.

2016-01-01

Surface trap states in semiconductor copper indium gallium selenide nanocrystals (NCs) which serve as undesirable channels for non-radiative carrier recombination, remain a great challenge impeding the development of solar and optoelectronics devices based on these NCs. In order to design efficient passivation techniques to minimize these trap states, a precise knowledge about the charge carrier dynamics on the NCs surface is essential. However, selective mapping of surface traps requires capabilities beyond the reach of conventional laser spectroscopy and static electron microscopy; it can only be accessed by using a one-of-a-kind, second-generation four-dimensional scanning ultrafast electron microscope (4D S-UEM) with sub-picosecond temporal and nanometer spatial resolutions. Here, we precisely map the surface charge carrier dynamics of copper indium gallium selenide NCs before and after surface passivation in real space and time using S-UEM. The time-resolved snapshots clearly demonstrate that the density of the trap states is significantly reduced after zinc sulfide (ZnS) shelling. Furthermore, removal of trap states and elongation of carrier lifetime are confirmed by the increased photocurrent of the self-biased photodetector fabricated using the shelled NCs.

Tolerance of topological surface state towards adsorbed magnetic moments: Fe on Bi{sub 2}Te{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Scholz, Markus; Marchenko, Dmitry; Sanchez-Barriga, Jaime; Varykhalov, Andrei; Rader, Oliver [Helmholtz-Zentrum fuer Materialien und Energie, Berlin (Germany); Volykhov, Andrei; Yashina, Lada [Moscow State University, Moskau, Russland (Russian Federation)

2011-07-01

Topological surface states on Bi{sub 2}Se{sub 3} and Bi{sub 2}Te{sub 3} are protected by time reversal symmetry. Magnetic fields break time-reversal symmetry, and they have been used in two-dimensional spin quantum-Hall systems to destroy the topological edge states. Another possibility is to introduce magnetic moments. This has been done by substitution of Mn and Fe into the bulk. For Fe a small gap of 44meV was created, however, at very large amounts (12%). In this work, we deposit Fe directly onto the surface where the topological surface state is localized. We show for coverages of 0.25 and 1 ML Fe that the Dirac point remains intact and no gap appears. Core level spectroscopy of Bi and Te states gives insight into the interaction between substrate and adatoms. In addition, extra surface states appear at the Fermi energy which show a large Rashba-type spin-orbit splitting. The orientation of the spin of both, the topological as well as the Rashba-type split surface states is analysed.

Investigations into the Surface Strain/Stress State in a Single-Crystal Superalloy via XRD Characterization

Directory of Open Access Journals (Sweden)

Haodong Duan

2018-05-01

Full Text Available The present study was aimed at determining the surface strain/stress state in an Ni-based single-crystal (SC superalloy that was subjected to two different cooling rates from solid solution temperature through using the X-ray diffraction (XRD method. The normal stresses σ 11 s and σ 22 s were determined, then the Von Mises stresses ( σ V M s were derived from them. Field emission gun scanning electron microscope (FEG-SEM and transmission electron microscope (TEM micrographs were taken to illustrate the strain/stress state change. The precipitation of the secondary γ′ phases in the γ phase and the formation of the dislocation in the interphase upon a slower cooling rate caused the γ phase lattice distortion to increase, so a larger σ V M s of the γ phase was realized in comparison to the faster cooling sample. For both of the two cooling modes, we found that the σ V M s of the γ′ phase increased due to the growth of the γ′ phase during the aging process. Also, the aging process led to pronouncedly anisotropic lattice mismatches in the {331} and {004} planes. In addition, the surface strain/stress states of a cylinder sample and a tetragonal sample were also studied using a faster cooling rate, and σ 11 s and σ 22 s were analyzed to explain the influence of the shape factor on the stress anisotropy in the [001] and [ 1 1 ¯ 0 ] orientations. The strain in the [001] orientation of the γ phase is more sensitive to the shape change.

Isolate extended state in the DNA molecular transistor with surface interaction

Energy Technology Data Exchange (ETDEWEB)

Wang, Le, E-mail: wang_le917@gs.zzu.edu.cn; Qin, Zhi-Jie

2016-02-01

The field effect characteristic of a DNA molecular device is investigated in a tight binding model with binary disorder and side site correlation. Using the transfer-matrix method and Landauer–Büttiker theory, we find that the system has isolated extended state that is irrespective of the DNA sequence and can be modulated by the gate voltage. When the gate voltage reaches some proper value, the isolated extended state appears at the Fermi level of the system and the long range charge transport is greatly enhanced. We attribute this phenomenon to the combination of the external field, the surface interaction, and the intrinsic disorder of DNA. The result is a generic feature of the nanowire with binary disorder and surface interaction.

Spin injection and inverse Edelstein effect in the surface states of topological Kondo insulator SmB6

Science.gov (United States)

Song, Qi; Mi, Jian; Zhao, Dan; Su, Tang; Yuan, Wei; Xing, Wenyu; Chen, Yangyang; Wang, Tianyu; Wu, Tao; Chen, Xian Hui; Xie, X. C.; Zhang, Chi; Shi, Jing; Han, Wei

2016-01-01

There has been considerable interest in exploiting the spin degrees of freedom of electrons for potential information storage and computing technologies. Topological insulators (TIs), a class of quantum materials, have special gapless edge/surface states, where the spin polarization of the Dirac fermions is locked to the momentum direction. This spin–momentum locking property gives rise to very interesting spin-dependent physical phenomena such as the Edelstein and inverse Edelstein effects. However, the spin injection in pure surface states of TI is very challenging because of the coexistence of the highly conducting bulk states. Here, we experimentally demonstrate the spin injection and observe the inverse Edelstein effect in the surface states of a topological Kondo insulator, SmB6. At low temperatures when only surface carriers are present, a clear spin signal is observed. Furthermore, the magnetic field angle dependence of the spin signal is consistent with spin–momentum locking property of surface states of SmB6. PMID:27834378

Conduction band-edge d-states in high-k dielectrics due to Jahn-Teller term splittings

International Nuclear Information System (INIS)

Lucovsky, G.; Fulton, C.C.; Zhang, Y.; Luning, J.; Edge, L.; Whitten, J.L.; Nemanich, R.J.; Schlom, D.G.; Afanase'v, V.V.

2005-01-01

X-ray absorption spectroscopy (XAS) is used to study conduction band edge electronic structure of high-k transition metal (TM) and trivalent lanthanide series rare earth (RE) oxide dielectrics. Empty TM/RE d-states are studied by intra-atomic transitions originating in core level spin-orbit split p-states, and conduction band states are studied in inter-atomic transitions which originate in the oxygen atom 1s core level state. In non-crystalline Zr and Hf silicate alloys, the local bonding symmetry, or crystal field splits these d-states into doubly and triply degenerate features. In nano-crystalline oxides, there are additional d-state splittings due to contributions of more distant neighbors that completely remove d-state degeneracies via the Jahn-Teller effect mechanism. This gives rise to highly localized band edge states that are electronically active in photoconductivity, internal photoemission, and act as bulk traps in metal oxide semiconductor (MOS) devices

Light induced modulation instability of surfaces under intense illumination

KAUST Repository

Burlakov, V. M.

2013-12-17

We show that a flat surface of a polymer in rubber state illuminated with intense electromagnetic radiation is unstable with respect to periodic modulation. Initial periodic perturbation is amplified due to periodic thermal expansion of the material heated by radiation. Periodic heating is due to focusing-defocusing effects caused by the initial surface modulation. The surface modulation has a period longer than the excitation wavelength and does not require coherent light source. Therefore, it is not related to the well-known laser induced periodic structures on polymer surfaces but may contribute to their formation and to other phenomena of light-matter interaction.

Influence of refraction of p-polarized light on photoemission from metallic surface states

International Nuclear Information System (INIS)

Bagchi, A.; Barrera, R.G.

1979-01-01

The refraction of p-polarized light at a metal surface leads, under certain circumstances, to a large peak in the spatial distribution of the normal component of the electric field near the surface. The origin of this peak is explained both in terms of a classical correspondence and in terms of a theory based on the non-local dielectric response of the metal surface. The significance of the large magnitude and rapid variation of the surface electric field in exciting photoelectrons from surface states is discussed [pt

Rapid Surface Oxidation as a Source of Surface Degradation Factor for Bi 2 Se 3

KAUST Repository

Kong, Desheng; Cha, Judy J.; Lai, Keji; Peng, Hailin; Analytis, James G.; Meister, Stefan; Chen, Yulin; Zhang, Hai-Jun; Fisher, Ian R.; Shen, Zhi-Xun; Cui, Yi

2011-01-01

Bismuth selenide (Bi2Se3) is a topological insulator with metallic surface states (SS) residing in a large bulk bandgap. In experiments, synthesized Bi2Se3 is often heavily n-type doped due to selenium vacancies. Furthermore, it is discovered from

Nature of the surface states at the single-layer graphene/Cu(111) and graphene/polycrystalline-Cu interfaces

NARCIS (Netherlands)

Pagliara, S.; Tognolini, S.; Bignardi, L.; Galimberti, G.; Achilli, S.; Trioni, M. I.; van Dorp, W. F.; Ocelik, V.; Rudolf, P.; Parmigiani, F.

2015-01-01

Single-layer graphene supported on a metal surface has shown remarkable properties relevant for novel electronic and optoelectronic devices. However, the nature of the electronic states derived from unoccupied surface states and quantum well states, lying in the real-space gap between the graphene

Numerical simulation of laser shock in the presence of the initial state due to welding

International Nuclear Information System (INIS)

Julan, Emricka

2014-01-01

Surface treatments as laser shock peening offer the possibility to reduce tensile stresses or to generate compressive stresses in order to prevent crack initiation or reduce crack growth rate in particular in the areas where tension weld residual stresses are present. Laser shock peening may be applied on different metallic components to prevent stress corrosion cracking of Inconel 600 and high cycle thermal fatigue of austenitic stainless steels. The main aim of the PhD thesis is to develop the numerical simulation of laser peening. In the first section, axisymmetrical and 3D numerical models for one or several pulses have been developed in Code Aster and Europlexus softwares. These models were validated by experimental tests carried out in PIMM-ENSAM laboratory. Parameters identification of Johnson-Cook constitutive law was carried out for Inconel 600 at high strain rates. Moreover a new test was proposed which allowed proving the isotropic behavior of Inconel 600 at high strain rates. A modification of the Johnson-Cook constitutive law was also proposed, to take into account in a new way the sensitivity of the law to high strain rates. The second section of the thesis concerns a study on the effect of an initial state of welding on residual stresses after application of laser peening. We could conclude that this initial state has no strong influence on final residual stresses. Finally, a qualitative study on the effect of strain hardening induced by laser peening on fatigue life of stainless steels was undertaken, which shows the advantage of laser peening on shot peening due to smaller strain hardening created by laser peening. (author)

Anisotropic surface-state-mediated RKKY interaction between adatoms on a hexagonal lattice

Science.gov (United States)

Patrone, Paul N.; Einstein, T. L.

2012-01-01

Motivated by recent numerical studies of Ag on Pt(111), we derive an expression for the RKKY interaction mediated by surface states, considering the effect of anisotropy in the Fermi edge. Our analysis is based on a stationary phase approximation. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that, in general, the corresponding Fermi wave vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface-state band structure. The wavelength, in particular, is determined by the projection of this kF (corresponding to vF) onto the direction of R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work. However, for metals with surface-state dispersions similar to Be(101¯0), we show that the RKKY interaction should have considerable anisotropy.

Structural and surface changes in glassy carbon due to strontium implantation and heat treatment

Science.gov (United States)

Odutemowo, O. S.; Malherbe, J. B.; Prinsloo, L. C.; Njoroge, E. G.; Erasmus, R.; Wendler, E.; Undisz, A.; Rettenmayr, M.

2018-01-01

There are still questions around the microstructure of glassy carbon (GC), like the observation of the micropores. These were proposed to explain the low density of GC. This paper explains the effect of ion bombardment (200 keV Sr+, 1 × 1016 Sr+/cm2 at RT) on the microstructure of GC. TEM and AFM show that micropores in pristine GC are destroyed leading to densification of GC from 1.42 g/cm3 to 2.03 g/cm3. The amorphisation of glassy carbon was also not complete with graphitic strands embedded within the GC. These were relatively few, as Raman analysis showed that the Sr implantation resulted in a typical amorphous Raman spectrum. Annealing of the sample at 900 °C only resulted in a slight recovery of the GC structure. AFM and SEM analysis showed that the surface of the sample became rougher after Sr implantation. The roughness increased after the sample was annealed at 600 °C due to segregation of Sr towards the surface of the GC. SEM measurements of a sample with both implanted and un-implanted edges after annealing at 900 °C, showed that the high temperature heat treatment did not affect the surface topography of un-irradiated GC.

Nonlinear radiation of waves at combination frequencies due to radiation-surface wave interaction in plasmas

International Nuclear Information System (INIS)

El Naggar, I.A.; Hussein, A.M.; Khalil, Sh.M.

1992-09-01

Electromagnetic waves radiated with combination frequencies from a semi-bounded plasma due to nonlinear interaction of radiation with surface wave (both of P-polarization) has been investigated. Waves are radiated both into vacuum and plasma are found to be P-polarized. We take into consideration the continuity at the plasma boundary of the tangential components of the electric field of the waves. The case of normal incidence of radiation and rarefield plasma layer is also studied. (author). 7 refs

Defined wetting properties of optical surfaces

Science.gov (United States)

Felde, Nadja; Coriand, Luisa; Schröder, Sven; Duparré, Angela; Tünnermann, Andreas

2017-10-01

Optical surfaces equipped with specific functional properties have attracted increasing importance over the last decades. In the light of cost reduction, hydrophobic self-cleaning behavior is aspired. On the other side, hydrophilic properties are interesting due to their anti-fog effect. It has become well known that such wetting states are significantly affected by the surface morphology. For optical surfaces, however, this fact poses a problem, as surface roughness can induce light scattering. The generation of optical surfaces with specific wetting properties, hence, requires a profound understanding of the relation between the wetting and the structural surface properties. Thus, our work concentrates on a reliable acquisition of roughness data over a wide spatial frequency range as well as on the comprehensive description of the wetting states, which is needed for the establishment of such correlations. We will present our advanced wetting analysis for nanorough optical surfaces, extended by a vibration-based procedure, which is mainly for understanding and tailoring the wetting behavior of various solid-liquid systems in research and industry. Utilizing the relationships between surface roughness and wetting, it will be demonstrated how different wetting states for hydrophobicity and hydrophilicity can be realized on optical surfaces with minimized scatter losses.

Quantifying the changes of soil surface microroughness due to rainfall impact on a smooth surface

Directory of Open Access Journals (Sweden)

B. K. B. Abban

2017-09-01

Full Text Available This study examines the rainfall-induced change in soil microroughness of a bare smooth soil surface in an agricultural field. The majority of soil microroughness studies have focused on surface roughness on the order of ∼ 5–50 mm and have reported a decay of soil surface roughness with rainfall. However, there is quantitative evidence from a few studies suggesting that surfaces with microroughness less than 5 mm may undergo an increase in roughness when subject to rainfall action. The focus herein is on initial microroughness length scales on the order of 2 mm, a low roughness condition observed seasonally in some landscapes under bare conditions and chosen to systematically examine the increasing roughness phenomenon. Three rainfall intensities of 30, 60, and 75 mm h−1 are applied to a smoothened bed surface in a field plot via a rainfall simulator. Soil surface microroughness is recorded via a surface-profile laser scanner. Several indices are utilized to quantify the soil surface microroughness, namely the random roughness (RR index, the crossover length, the variance scale from the Markov–Gaussian model, and the limiting difference. Findings show a consistent increase in roughness under the action of rainfall, with an overall agreement between all indices in terms of trend and magnitude. Although this study is limited to a narrow range of rainfall and soil conditions, the results suggest that the outcome of the interaction between rainfall and a soil surface can be different for smooth and rough surfaces and thus warrant the need for a better understanding of this interaction.

Surface Irregularity Factor as a Parameter to Evaluate the Fatigue Damage State of CFRP

Directory of Open Access Journals (Sweden)

Pablo Zuluaga-Ramírez

2015-11-01

Full Text Available This work presents an optical non-contact technique to evaluate the fatigue damage state of CFRP structures measuring the irregularity factor of the surface. This factor includes information about surface topology and can be measured easily on field, by techniques such as optical perfilometers. The surface irregularity factor has been correlated with stiffness degradation, which is a well-accepted parameter for the evaluation of the fatigue damage state of composite materials. Constant amplitude fatigue loads (CAL and realistic variable amplitude loads (VAL, representative of real in- flight conditions, have been applied to “dog bone” shaped tensile specimens. It has been shown that the measurement of the surface irregularity parameters can be applied to evaluate the damage state of a structure, and that it is independent of the type of fatigue load that has caused the damage. As a result, this measurement technique is applicable for a wide range of inspections of composite material structures, from pressurized tanks with constant amplitude loads, to variable amplitude loaded aeronautical structures such as wings and empennages, up to automotive and other industrial applications.

Surface Irregularity Factor as a Parameter to Evaluate the Fatigue Damage State of CFRP

Science.gov (United States)

Zuluaga-Ramírez, Pablo; Frövel, Malte; Belenguer, Tomás; Salazar, Félix

2015-01-01

This work presents an optical non-contact technique to evaluate the fatigue damage state of CFRP structures measuring the irregularity factor of the surface. This factor includes information about surface topology and can be measured easily on field, by techniques such as optical perfilometers. The surface irregularity factor has been correlated with stiffness degradation, which is a well-accepted parameter for the evaluation of the fatigue damage state of composite materials. Constant amplitude fatigue loads (CAL) and realistic variable amplitude loads (VAL), representative of real in- flight conditions, have been applied to “dog bone” shaped tensile specimens. It has been shown that the measurement of the surface irregularity parameters can be applied to evaluate the damage state of a structure, and that it is independent of the type of fatigue load that has caused the damage. As a result, this measurement technique is applicable for a wide range of inspections of composite material structures, from pressurized tanks with constant amplitude loads, to variable amplitude loaded aeronautical structures such as wings and empennages, up to automotive and other industrial applications. PMID:28793655

Effect of physisorbed molecules and an external external fields on the metallic Shockley surface state of Cu(111): A density functional theory study

Science.gov (United States)

Berland, Kristian; Einstein, T. L.; Hyldgaard, Per

2012-02-01

To manipulate the Cu(111) partially-filled Shockley surface state, we study its response to an external fieldootnotetextKB, TLE, PH; arXiv 1109:6706 E and physisorbed PAHs and quinone molecules. We use density-functional theory calculations with periodic-boundary conditions. The van der Waals density functional version vdW-DF2 accounts for the molecular adsorption. The issue that the Kohn-Sham wave functions couple to both sides of the Cu slab is handled with a decoupling scheme based on a rotation in Hilbert space. A convergence study reveals that to obtain a proper Shockley surface state, 6 Cu layers is sufficient, while 15 is optimal. We use 6 layers for the response to the molecules and 15 to external field. We find that the surface state displays isotropic dispersion (up to order k^6), free-electron like until the Fermi wave vector but with a significant quartic component beyond. The shift in band minimum and effective mass depend linearly on E, with a smaller fractional change in the latter. Charge transfer occurs beyond the outermost copper atoms, and most of the screening is due to bulk electrons. We find that the molecular physisorption increases the band minimum, with the effect the of a quinone being much stronger than the corresponding PAH.

Analysis of the trajectory surface hopping method from the Markov state model perspective

International Nuclear Information System (INIS)

Akimov, Alexey V.; Wang, Linjun; Prezhdo, Oleg V.; Trivedi, Dhara

2015-01-01

We analyze the applicability of the seminal fewest switches surface hopping (FSSH) method of Tully to modeling quantum transitions between electronic states that are not coupled directly, in the processes such as Auger recombination. We address the known deficiency of the method to describe such transitions by introducing an alternative definition for the surface hopping probabilities, as derived from the Markov state model perspective. We show that the resulting transition probabilities simplify to the quantum state populations derived from the time-dependent Schrödinger equation, reducing to the rapidly switching surface hopping approach of Tully and Preston. The resulting surface hopping scheme is simple and appeals to the fundamentals of quantum mechanics. The computational approach is similar to the FSSH method of Tully, yet it leads to a notably different performance. We demonstrate that the method is particularly accurate when applied to superexchange modeling. We further show improved accuracy of the method, when applied to one of the standard test problems. Finally, we adapt the derived scheme to atomistic simulation, combine it with the time-domain density functional theory, and show that it provides the Auger energy transfer timescales which are in good agreement with experiment, significantly improving upon other considered techniques. (author)

Monthly version of HadISST sea surface temperature state-space components

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — State-Space Decomposition of Monthly version of HadISST sea surface temperature component (1-degree). See Rayner, N. A., Parker, D. E., Horton, E. B., Folland, C....

No Geographic Correlation between Lyme Disease and Death Due to 4 Neurodegenerative Disorders, United States, 2001-2010.

Science.gov (United States)

Forrester, Joseph D; Kugeler, Kiersten J; Perea, Anna E; Pastula, Daniel M; Mead, Paul S

2015-11-01

Associations between Lyme disease and certain neurodegenerative diseases have been proposed, but supportive evidence for an association is lacking. Similar geographic distributions would be expected if 2 conditions were etiologically linked. Thus, we compared the distribution of Lyme disease cases in the United States with the distributions of deaths due to Alzheimer disease, amyotrophic lateral sclerosis (ALS), multiple sclerosis (MS), and Parkinson disease; no geographic correlations were identified. Lyme disease incidence per US state was not correlated with rates of death due to ALS, MS, or Parkinson disease; however, an inverse correlation was detected between Lyme disease and Alzheimer disease. The absence of a positive correlation between the geographic distribution of Lyme disease and the distribution of deaths due to Alzheimer disease, ALS, MS, and Parkinson disease provides further evidence that Lyme disease is not associated with the development of these neurodegenerative conditions.

Theoretical studies of positron states and annihilation characteristics at the oxidized Cu(100) surface

Energy Technology Data Exchange (ETDEWEB)

Fazleev, N. G. [Department of Physics, Box 19059, University of Texas at Arlington, Arlington Texas 76019 (United States) and Institute of Physics, Kazan Federal University, Kremlevskaya18, Kazan 420008 (Russian Federation); Weiss, A. H. [Department of Physics, Box 19059, University of Texas at Arlington, Arlington Texas 76019 (United States)

2013-04-19

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. An ab-initio study of the electronic properties of the Cu(100) missing row reconstructed surface at various on surface and sub-surface oxygen coverages has been performed on the basis of the density functional theory (DFT) using the Dmol3 code and the generalized gradient approximation (GGA). Surface structures in calculations have been constructed by adding oxygen atoms to various surface hollow and sub-surface octahedral sites of the 0.5 monolayer (ML) missing row reconstructed phase of the Cu(100) surface with oxygen coverages ranging from 0.5 to 1.5 ML. The charge redistribution at the surface and variations in atomic structure and chemical composition of the topmost layers associated with oxidation and surface reconstruction have been found to affect the spatial extent and localization of the positron surface state wave function and annihilation probabilities of surface trapped positrons with relevant core electrons. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). It has been shown that positron annihilation probabilities with Cu 3s and 3p core electrons decrease when total (on-surface and sub-surface) oxygen coverage of the Cu(100) surface increases up to 1 ML. The calculations show that for high oxygen coverage when total oxygen coverage is 1. 5 ML the positron is not bound to the surface.

Enhancement of surface magnetism due to bulk bond dilution

International Nuclear Information System (INIS)

Tsallis, C.; Sarmento, E.F.; Albuquerque, E.L. de

1985-01-01

Within a renormalization group scheme, the phase diagram of a semi-infinite simple cubic Ising ferromagnet is discussed, with arbitrary surface and bulk coupling constants, and including possible dilution of the bulk bonds. It is obtained that dilution makes easier the appearance of surface magnetism in the absence of bulk magnetism. (Author) [pt

Mechanical effects associated with surface loading of dry rock due to glaciation

International Nuclear Information System (INIS)

Wahi, K.K.; Hunter, R.L.

1985-01-01

Many scenarios of interest for a repository in the Pasco Basin begin with glaciation. Loading and unloading of joints and fractures due to the weight of ice sheets could affect the hydrologic properties of the host rock and surrounding units. Scoping calculations performed using two-dimensional numerical models with simplifying assumptions predict stress changes and uplift or subsidence caused by an advancing glacier. The magnitudes of surface uplift and subsidence predicted by the study agree well with previous independent predictions. Peak stress unloading near the repository horizon is a small fraction of the ambient stress. Any resultant aperture increase is likewise small. Based on the results of this study, mechanical loading caused by a glacier is expected to have a minimal effect on rock permeability, assuming that the excess compressive loads do not crush the rock. 13 refs., 3 figs., 1 tab

Proximity induced ferromagnetism, superconductivity, and finite-size effects on the surface states of topological insulator nanostructures

Science.gov (United States)

Sengupta, Parijat; Kubis, Tillmann; Tan, Yaohua; Klimeck, Gerhard

2015-01-01

Bi2Te3 and Bi2Se3 are well known 3D-topological insulators (TI). Films made of these materials exhibit metal-like surface states with a Dirac dispersion and possess high mobility. The high mobility metal-like surface states can serve as building blocks for a variety of applications that involve tuning their dispersion relationship and opening a band gap. A band gap can be opened either by breaking time reversal symmetry, the proximity effect of a superconductor or ferromagnet or adjusting the dimensionality of the TI material. In this work, methods that can be employed to easily open a band gap for the TI surface states are assessed. Two approaches are described: (1) Coating the surface states with a ferromagnet which has a controllable magnetization axis. The magnetization strength of the ferromagnet is incorporated as an exchange interaction term in the Hamiltonian. (2) An s-wave superconductor, because of the proximity effect, when coupled to a 3D-TI opens a band gap on the surface. Finally, the hybridization of the surface Dirac cones can be controlled by reducing the thickness of the topological insulator film. It is shown that this alters the band gap significantly.

Surface acoustic wave solid-state rotational micromotor

Science.gov (United States)

Shilton, Richie J.; Langelier, Sean M.; Friend, James R.; Yeo, Leslie Y.

2012-01-01

Surface acoustic waves (SAWs) are used to drive a 1 mm diameter rotor at speeds exceeding 9000 rpm and torque of nearly 5 nNm. Unlike recent high-speed SAW rotary motors, however, the present design does not require a fluid coupling layer but interestingly exploits adhesive stiction as an internal preload, a force usually undesirable at these scales; with additional preloads, smaller rotors can be propelled to 15 000 rpm. This solid-state motor has no moving parts except for the rotor and is sufficiently simple to allow integration into miniaturized drive systems for potential use in microfluidic diagnostics, optical switching and microrobotics.

The characteristics of MBE-grown In{sub x}Al{sub 1−x}N/GaN surface states

Energy Technology Data Exchange (ETDEWEB)

Jiao, Wenyuan; Kong, Wei; Li, Jincheng; Kim, Tong-Ho; Brown, April S. [Department of Electrical and Computer Engineering, Duke University, Durham, North Carolina 27708 (United States); Collar, Kristen [Department of Physics, Duke University, Durham, North Carolina 27708 (United States); Losurdo, Maria [CNR-NANOTEC, Istituto di Nanotecnologia, via Orabona, 4-70126 Bari (Italy)

2016-08-22

The density and energy distribution of In{sub x}Al{sub 1−x}N/GaN surface donor states are studied for In{sub x}Al{sub 1−x}N structures with varying indium compositions. The results support a surface states model with a constant energy distribution of 2.17–2.63 eV below the conduction band minimum and a concentration of 4.64–8.27 × 10{sup 13} cm{sup −2} eV{sup −1}. It is shown that the properties of the surface states are affected by the surface indium composition x{sub s}, as opposed to the bulk composition, x{sub b} (In{sub x}Al{sub 1−x}N). Higher surface indium composition x{sub s} increases the density of surface states and narrows their energy distribution.

Anisotropic Surface State Mediated RKKY Interaction Between Adatoms on a Hexagonal Lattice

Science.gov (United States)

Einstein, Theodore; Patrone, Paul

2012-02-01

Motivated by recent numerical studies of Ag on Pt(111), we derive a far-field expression for the RKKY interaction mediated by surface states on a (111) FCC surface, considering the effect of anisotropy in the Fermi edge. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that in general, the corresponding Fermi wave-vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface state band structure. The wavelength, in particular, is determined by the component of the aforementioned kF that is parallel to R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work.

Investigation of the surface chemical and electronic states of pyridine-capped CdSe nanocrystal films after plasma treatments using H2, O2, and Ar gases

International Nuclear Information System (INIS)

Wang, Seok-Joo; Kim, Hyuncheol; Park, Hyung-Ho; Lee, Young-Su; Jeon, Hyeongtag; Chang, Ho Jung

2010-01-01

Surface chemical bonding and the electronic states of pyridine-capped CdSe nanocrystal films were evaluated using x-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy before and after plasma treatments using H 2 , O 2 , and Ar gases from the viewpoint of studying the effects of surface capping organic molecules and surface oxidation. Surface capping organic molecules could be removed during the plasma treatment due to the chemical reactivity, ion energy transfer, and vacuum UV (VUV) of the plasma gases. With O 2 plasma treatment, surface capping organic molecules were effectively removed but substantial oxidation of CdSe occurred during the plasma treatment. The valence band maximum energy (E VBM ) of CdSe nanocrystal films mainly depends on the apparent size of pyridine-capped CdSe nanocrystals, which controls the interparticle distance, and also on the oxidation of CdSe nanocrystals. Cd-rich surface in O 2 and H 2 plasma treatments partially would compensate for the decrease in E VBM . After Ar plasma treatment, the smallest value of E VBM resulted from high VUV photon flux, short wavelength, and ion energy transfer. The surface bonding states of CdSe had a strong influence on the electronic structure with the efficient strip of capping molecules as well as different surface oxidations and surface capping molecule contents.

Duo gating on a 3D topological insulator - independent tuning of both topological surface states

Science.gov (United States)

Li, Chuan; de Ronde, Bob; Snelder, Marieke; Stehno, Martin; Huang, Yingkai; Golden, Mark; Brinkman, Alexander; ICE Team; IOP Collaboration

ABSTRACT: Topological insulators are associated with a trove of exciting physics, such as the ability to host robust anyons, Majorana Bound States, which can be used for quantum computation. For future Majorana devices it is desirable to have the Fermi energy tuned as close as possible to the Dirac point of the topological surface state. Based on previous work on gating BSTS, we report the experimental progress towards gate-tuning of the top and bottom topological surface states of BiSbTeSe2 crystal flakes. When the Fermi level is moved across the Dirac point conduction is shown to change from electron dominated transport to hole dominated transport independently for either surface. In the high magnetic field, one can tune the system precisely between the different landau levels of both surfaces, thus a full gating map of the possible landau levels combination is established. In addition, we provide a simple capacitance model to explain the general hysteresis behaviors in topological insulator systems.

Effects of surface states on device and interconnect isolation in GaAs MESFET and InP MISFET integrated circuits

International Nuclear Information System (INIS)

Hasegawa, H.; Kitagawa, T.; Masuda, H.; Yano, H.; Ohno, H.

1985-01-01

Surface electrical breakdown and side-gating which cause failure of device and interconnect isolation are investigated for GaAs MESFET and InP MISFET integrated circuit structures. Striking differences in behavior are observed between GaAs and InP as regards to the surface conduction, surface breakdown and side-gating. These differences are shown to be related to the surface state properties of the insulator-semiconductor interface. In GaAs, high density of surface states rather than bulk trap states control the surface I-V characteristics and side-gating, causing serious premature avalanche breakdown and triggering side-gating at a low nominal field intensity of 1-3 kV/cm. On the other hand, InP MISFET integrated circuits are virtually free from these premature breakdown and side-gating effect under normal dark operating condition because of very low surface state density

Study on applicability of numerical simulation to evaluation of gas entrainment due to free surface vortex

International Nuclear Information System (INIS)

Ito, Kei; Kunugi, Tomoaki; Ohshima, Hiroyuki

2008-01-01

An onset condition of gas entrainment (GE) due to free surface vortex has been studied to establish a design of sodium-cooled fast reactor with a higher coolant velocity than conventional designs. Numerous investigations have been conducted experimentally and theoretically; however, the universal onset condition of the GE has not been determined yet due to the nonlinear characteristics of the GE. Recently, we have been studying numerical simulation methods as a promising method to evaluate GE, instead of the reliable but costly real-scale tests. In this paper, the applicability of the numerical simulation methods to the evaluation of the GE is discussed. For the purpose, a quasi-steady vortex in a cylindrical tank and a wake vortex (unsteady vortex) in a rectangular channel were numerically simulated using the volume-of-fluid type two-phase flow calculation method. The simulated velocity distributions and free surface shapes of the quasi-steady vortex showed good (not perfect, however) agreements with experimental results when a fine mesh subdivision and a high-order discretization scheme were employed. The unsteady behavior of the wake vortex was also simulated with high accuracy. Although the onset condition of the GE was slightly underestimated in the simulation results, the applicability of the numerical simulation methods to the GE evaluation was confirmed. (author)

Changes in extreme regional sea surface height due to an abrupt weakening of the Atlantic meridional overturning circulation

NARCIS (Netherlands)

Brunnabend, S.-E.; Dijkstra, H. A.; Kliphuis, M. A.; van Werkhoven, B.J.C.; Bal, H. E.; Seinstra, F.; Maassen, J.; van Meersbergen, M.

2014-01-01

As an extreme scenario of dynamical sea level changes, regional sea surface height (SSH) changes that occur in the North Atlantic due to an abrupt weakening of the Atlantic meridional overturning circulation (AMOC) are simulated. Two versions of the same ocean-only model are used to study the effect

Surface-enhanced Raman Spectroscopy of Ethephone Adsorbed on Silver Surface

International Nuclear Information System (INIS)

Lee, Chul Jae; Kim, Hee Jin; Karim, Mohammad Rezaul; Lee, Mu Sang

2006-01-01

We investigated the Surface-enhanced Raman Spectroscopy (SERS) spectrum of ethephone (2- chloroethylphosphonic acid). We observed significant signals in the ordinary Raman spectrum for solid-state ethephone as well as when it was adsorbed on a colloidal silver surface, strong vibrational signals were obtained at a very low concentration. The SERS spectra were obtained by silver colloids that were prepared by the γ - irradiation method. The influence of pH and the influence of anion (Cl - , Br - , I - ) on the adsorption orientation were investigated. Two different adsorption mechanisms were deduced, depending on the experimental conditions. The chlorine atom or the chlorine and two oxygen atoms were adsorbed on the colloidal silver surface. Among halide ions, Br - and I - were more strongly adsorbed on the colloidal silver surfaces. As a result, the adsorption of ethephone was less effective due to their steric hinderance

A facile method to prepare "green" nano-phosphors with a large Stokes-shift and solid-state enhanced photophysical properties based on surface-modified gold nanoclusters.

Science.gov (United States)

Cheng, C H; Huang, H Y; Talite, M J; Chou, W C; Yeh, J M; Yuan, C T

2017-12-15

Colloidal nano-materials, such as quantum dots (QDs) have been applied to light-conversion nano-phosphors due to their unique tunable emission. However, most of the QDs involve toxic elements and are synthesized in a hazardous solvent. In addition, conventional QD nano-phosphors with a small Stokes shift suffered from reabsorption losses and aggregation-induced quenching in the solid state. Here, we demonstrate a facile, matrix-free method to prepare eco-friendly nano-phosphors with a large Stokes shift based on aqueous thiolate-stabilized gold nanoclusters (GSH-AuNCs) with simple surface modifications. Our method is just to drop GSH-AuNCs solution on the aluminum foil and then surface-modified AuNCs (Al-GSH-AuNCs) can be spontaneously precipitated out of the aqueous solution. Compared with pristine GSH-AuNCs in solution, the Al-GSH-AuNCs exhibit enhanced solid-state PL quantum yields, lengthened PL lifetime, and spectral blue shift, which can be attributed to the aggregation-induced emission enhancement facilitated by surface modifications. Such surface-treatment induced aggregation of AuNCs can restrict the surface-ligand motion, leading to the enhancement of PL properties in the solid state. In addition, the Al-GSH-AuNCs nano-phosphors with a large Stokes shift can mitigate the aggregation-induced PL quenching and reabsorption losses, which would be potential candidates for "green" nano-phosphors. Copyright © 2017 Elsevier Inc. All rights reserved.

Intrinsic two-dimensional states on the pristine surface of tellurium

Science.gov (United States)

Li, Pengke; Appelbaum, Ian

2018-05-01

Atomic chains configured in a helical geometry have fascinating properties, including phases hosting localized bound states in their electronic structure. We show how the zero-dimensional state—bound to the edge of a single one-dimensional helical chain of tellurium atoms—evolves into two-dimensional bands on the c -axis surface of the three-dimensional trigonal bulk. We give an effective Hamiltonian description of its dispersion in k space by exploiting confinement to a virtual bilayer, and elaborate on the diminished role of spin-orbit coupling. These intrinsic gap-penetrating surface bands were neglected in the interpretation of seminal experiments, where two-dimensional transport was otherwise attributed to extrinsic accumulation layers.

Investigation of static and dynamic wetting transitions of UV responsive tunable wetting surfaces

International Nuclear Information System (INIS)

Pant, Reeta; Singha, Subhash; Bandyopadhyay, Aritra; Khare, Krishnacharya

2014-01-01

Ultraviolet (UV) radiation responsive surfaces, with tunable wetting properties, are fabricated by spin casting polystyrene/titania nanocomposite dispersion in tetrahydrofuran on silicon substrates. The prepared samples are found hydrophilic due to the presence of the water miscible solvent. Upon annealing, as the solvent evaporates, samples become superhydrophobic due to presence of hydrophobic polystyrene and formation of nano and micro scale surface roughness due to titania nanoparticles. Effect of different annealing temperatures and time on resulting wettability is investigated. Photocatalytic property of titania is exploited to make transition from superhydrophobic to hydrophilic state upon UV exposure. Subsequently, upon annealing again at elevated temperatures for sufficient time, the UV exposed hydrophilic samples recover their superhydrophobicity showing transition from hydrophilic to superhydrophobic state. Detailed static and dynamic study of these reversible transitions, between superhydrophobic and hydrophilic states, due to UV exposure and annealing is presented in this article.

Possibilities of new materials surface sensibility express determination based on ZnSe-CdS system by pH isoelectric state measurements of the surface state

Science.gov (United States)

Kirovskaya, I. A.; Mironova, E. V.; Ushakov, O. V.; Nor, P. E.; Yureva, A. V.; Matyash, Yu I.

2018-01-01

A method for determining the hydrogen index of the surfaces isoelectric state (pHiso) at various gases pressures -possible components of the surrounding and technological media has been developed. With its use, changes in pH of binary and more complex semiconductors-components of the new system-ZnSe-CdS under the influence of nitrogen dioxide-have been found. The limiting sensitivity of surfaces - minimum PNO2, causing a change in pH has been estimated. The most active components of ZnSe-CdS system, recommended as materials for measuring cells of NO2, have been revealed. The relationship between the changing patterns with the composition of surface (acid-base) and bulk (in particular, theoretical calculated crystal density) properties has been established, allowing to find the most effective materials for sensor technology and for semiconductor analysis.

Investigation of series resistance and surface states in Au/n - GaP structures

International Nuclear Information System (INIS)

Kiymaz, A.; Onal, B.; Ozer, M.; Acar, S.

2009-01-01

The variation in series resistance and surface state density of Au/n - GaP Schottky diodes have been systematically investigated at room temperature by using capacitance-voltage C-V and conductance-voltage G/w-V measurements techniques. The C-V and G/w-V characteristics of these devices were investigated by considering series resistance effects in a wide frequency range. It is shown that the capacitance of the Au/n - GaP Schottky diode decreases with increasing frequency. It is assumed that the surface states were responsible for this behaviour. The distribution profile of Rs-V gives a peak in the depletion region at low frequencies and disappears with increasing frequencies

Ultrafast Optical Excitation of a Persistent Surface-State Population in the Topological Insulator Bi2Se3

Energy Technology Data Exchange (ETDEWEB)

Sobota, Jonathan

2012-03-14

Using femtosecond time- and angle-resolved photoemission spectroscopy, we investigated the nonequilibrium dynamics of the topological insulator Bi{sub 2}Se{sub 3}. We studied p-type Bi{sub 2}Se{sub 3}, in which the metallic Dirac surface state and bulk conduction bands are unoccupied. Optical excitation leads to a meta-stable population at the bulk conduction band edge, which feeds a nonequilibrium population of the surface state persisting for >10 ps. This unusually long-lived population of a metallic Dirac surface state with spin texture may present a channel in which to drive transient spin-polarized currents.

Pair-breaking effects by parallel magnetic field in electric-field-induced surface superconductivity

International Nuclear Information System (INIS)

Nabeta, Masahiro; Tanaka, Kenta K.; Onari, Seiichiro; Ichioka, Masanori

2016-01-01

Highlights: • Zeeman effect shifts superconducting gaps of sub-band system, towards pair-breaking. • Higher-level sub-bands become normal-state-like electronic states by magnetic fields. • Magnetic field dependence of zero-energy DOS reflects multi-gap superconductivity. - Abstract: We study paramagnetic pair-breaking in electric-field-induced surface superconductivity, when magnetic field is applied parallel to the surface. The calculation is performed by Bogoliubov-de Gennes theory with s-wave pairing, including the screening effect of electric fields by the induced carriers near the surface. Due to the Zeeman shift by applied fields, electronic states at higher-level sub-bands become normal-state-like. Therefore, the magnetic field dependence of Fermi-energy density of states reflects the multi-gap structure in the surface superconductivity.

Stress-induced roughening instabilities along surfaces of piezoelectric materials

International Nuclear Information System (INIS)

Chien, N.Y.; Gao, H.

1993-01-01

The possibility of using electric field to stabilize surfaces of piezoelectric solids against stress-induced morphological roughening is explored in this paper. Two types of idealized boundary conditions are considered: (1) a traction free and electrically insulating surface and (2) a traction free and electrically conducting surface. A perturbation solution for the energy variation associated with surface roughening suggests that the electric field can be used to suppress the roughening instability to various degrees. A completely stable state is possible in the insulating case, and kinetically more stable states can be attained in the conducting case. The stabilization has importance in reducing concentration of stress and electric fields due to microscopic surface roughness which might trigger failure processes involving dislocation, cracks and dielectric breakdown

Scanning tunneling spectroscopy of the surface states of Dirac fermions in thermoelectrics based on bismuth telluride

Science.gov (United States)

Lukyanova, L. N.; Makarenko, I. V.; Usov, O. A.; Dementev, P. A.

2018-05-01

The morphology of the interlayer van der Waals surface and differential tunneling conductance in p-Bi2‑xSbxTe3‑ySey solid solutions were studied by scanning tunneling microscopy and spectroscopy in dependence on compositions. The topological characteristics of the Dirac fermion surface states were determined. It was shown that the thermoelectric power factor and the material parameter enhance with the shift of the Dirac point to the top of the valence band with the increasing of atomic substitution in these thermoelectrics. A correlation between topological characteristics, power factor and material parameters was found. A growth contribution of the surface states is determined by an increase of the Fermi velocity for large atomic substitutions of Bi at x > 1.5 and small substitutions in the Te sublattice (y = 0.06). In compositions with smaller substitutions at x = (1–1.3) and y = (0.06–0.09), similar effect of the surface states is determined by raising the surface concentration of charge carriers.

Atom-surface potentials and atom interferometry

International Nuclear Information System (INIS)

Babb, J.F.

1998-01-01

Long-range atom-surface potentials characterize the physics of many actual systems and are now measurable spectroscopically in deflection of atomic beams in cavities or in reflection of atoms in atomic fountains. For a ground state, spherically symmetric atom the potential varies as -1/R 3 near the wall, where R is the atom-surface distance. For asymptotically large distances the potential is weaker and goes as -1/R 4 due to retardation arising from the finite speed of light. This diminished interaction can also be interpreted as a Casimir effect. The possibility of measuring atom-surface potentials using atomic interferometry is explored. The particular cases studied are the interactions of a ground-state alkali-metal atom and a dielectric or a conducting wall. Accurate descriptions of atom-surface potentials in theories of evanescent-wave atomic mirrors and evanescent wave-guided atoms are also discussed. (author)

Changes in the surface electronic states of semiconductor fine particles induced by high energy ion irradiation

Energy Technology Data Exchange (ETDEWEB)

Yamaki, Tetsuya; Asai, Keisuke; Ishigure, Kenkichi [Tokyo Univ. (Japan); Shibata, Hiromi

1997-03-01

The changes in the surface electronic states of Q-sized semiconductor particles in Langmuir-Blodgett (LB) films, induced by high energy ion irradiation, were examined by observation of ion induced emission and photoluminescence (PL). Various emission bands attributed to different defect sites in the band gap were observed at the initial irradiation stage. As the dose increased, the emissions via the trapping sites decreased in intensity while the band-edge emission developed. This suggests that the ion irradiation would remove almost all the trapping sites in the band gap. The low energy emissions, which show a multiexponential decay, were due to a donor-acceptor recombination between the deeply trapped carriers. It was found that the processes of formation, reaction, and stabilization of the trapping sites would predominantly occur under the photooxidizing conditions. (author)

Relaxation of excited surface states of thin Ge-implanted silica films probed by OSEE spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Zatsepin, A.F., E-mail: a.f.zatsepin@urfu.ru [Ural Federal University, Mira Street 19, 620002 Ekaterinburg (Russian Federation); Buntov, E.A.; Mikhailovich, A.P.; Slesarev, A.I. [Ural Federal University, Mira Street 19, 620002 Ekaterinburg (Russian Federation); Schmidt, B. [Research Center Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research, P.O. Box 510119, D-01314 Dresden (Germany); Czarnowski, A. von; Fitting, Hans-Joachim [Institute of Physics, University of Rostock, Universitätsplatz 3, D-18051 Rostock (Germany)

2016-01-15

As an example of thin silica films, 30 nm SiO{sub 2}–Si heterostructures implanted with Ge{sup +} ions (10{sup 16} cm{sup −2} fluence) and rapid thermally annealed (RTA) at 950 °C are studied by means of optically stimulated electron emission (OSEE) in the spectral region of optical transparency for bulk silica. Quartz glass samples were used as references. Experimental data revealed a strong dependence between electron emission spectral features and RTA annealing time. The spectral contributions of both surface band tail states and interband transitions were clearly distinguished. The application of emission Urbach rule as well as Kane and Pässler equations allowed to analyze the OSEE spectra at different optical excitation energy ranges and to retrieve the important microstructural and energy parameters. The observed correlations between parameter values of Urbach- and Kane-related models suggest the implantation-induced conversion of both the vibrational subsystem and energy band of surface and interface electronic states. - Highlights: • Peculiarities of electron emission from excited surface states of SiO{sub 2}:Ge structures are studied. • Spectral contributions of surface band tails and interband transitions are distinguished. • Urbach and Kane models allow to examine photo-thermal emission mechanism. • Surface energy gap and structural disorder parameters are determined.

Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)

Science.gov (United States)

Berland, K.; Einstein, T. L.; Hyldgaard, P.

2012-01-01

The response of the Cu(111) Shockley surface state to an external electrical field is characterized by combining a density-functional theory calculation for a slab geometry with an analysis of the Kohn-Sham wave functions. Our analysis is facilitated by a decoupling of the Kohn-Sham states via a rotation in Hilbert space. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We calculate the shift in energetic position and effective mass of the surface state for an electrical field perpendicular to the Cu(111) surface; the response is linear over a broad range of field strengths. We find that charge transfer occurs beyond the outermost copper atoms and that accumulation of electrons is responsible for a quarter of the screening of the electrical field. This allows us to provide well converged determinations of the field-induced changes in the surface state for a moderate number of layers in the slab geometry.

Hybrid surface design for robust superhydrophobicity.

Science.gov (United States)

Dash, Susmita; Alt, Marie T; Garimella, Suresh V

2012-06-26

Surfaces may be rendered superhydrophobic by engineering the surface morphology to control the extent of the liquid-air interface and by the use of low-surface-energy coatings. The droplet state on a superhydrophobic surface under static and dynamic conditions may be explained in terms of the relative magnitudes of the wetting and antiwetting pressures acting at the liquid-air interface on the substrate. In this paper, we discuss the design and fabrication of hollow hybrid superhydrophobic surfaces which incorporate both communicating and noncommunicating air gaps. The surface design is analytically shown to exhibit higher capillary (or nonwetting) pressure compared to solid pillars with only communicating air gaps. Six hybrid surfaces are fabricated with different surface parameters selected such that the Cassie state of a droplet is energetically favorable. The robustness of the surfaces is tested under dynamic impingement conditions, and droplet dynamics are explained using pressure-based transitions between Cassie and Wenzel states. During droplet impingement, the effective water hammer pressure acting due to the sudden change in the velocity of the droplet is determined experimentally and is found to be at least 2 orders of magnitude less than values reported in the literature. The experiments show that the water hammer pressure depends on the surface morphology and capillary pressure of the surface. We propose that the observed reduction in shock pressure may be attributed to the presence of air gaps in the substrate. This feature allows liquid deformation and hence avoids the sudden stoppage of the droplet motion as opposed to droplet behavior on smooth surfaces.

Topology of the Adiabatic Potential Energy Surfaces for theResonance States of the Water Anion

Energy Technology Data Exchange (ETDEWEB)

Haxton, Daniel J.; Rescigno, Thomas N.; McCurdy, C. William

2005-04-15

The potential energy surfaces corresponding to the long-lived fixed-nuclei electron scattering resonances of H{sub 2}O relevant to the dissociative electron attachment process are examined using a combination of ab initio scattering and bound-state calculations. These surfaces have a rich topology, characterized by three main features: a conical intersection between the {sup 2}A{sub 1} and {sup 2}B{sub 2} Feshbach resonance states; charge-transfer behavior in the OH ({sup 2}{Pi}) + H{sup -} asymptote of the {sup 2}B{sub 1} and {sup 2}A{sub 1} resonances; and an inherent double-valuedness of the surface for the {sup 2}B{sub 2} state the C{sub 2v} geometry, arising from a branch-point degeneracy with a {sup 2}B{sub 2} shape resonance. In total, eight individual seams of degeneracy among these resonances are located.

Bacterial Cell Surface Damage Due to Centrifugal Compaction

NARCIS (Netherlands)

Peterson, Brandon W.; Sharma, Prashant K.; van der Mei, Henny C.; Busscher, Henk J.

Centrifugal damage has been known to alter bacterial cell surface properties and interior structures, including DNA. Very few studies exist on bacterial damage caused by centrifugation because of the difficulty in relating centrifugation speed and container geometry to the damage caused. Here, we

Influence of steam generator surface state on corrosion and oxide formation

International Nuclear Information System (INIS)

Mazenc, Arnaud; Leclercq, Stephanie; Seyeux, Antoine; Galtayries, Anouk; Marcus, Philippe

2012-09-01

The corrosion and release of nickel-based alloy Steam Generator tubes are partly due to their surface state. Among the most important parameters influencing the corrosion, the effect of grain size and the effect of grain crystallographic orientation have been chosen to be studied. The aim of this study is to determine how these parameters have an impact on the corrosion of Steam Generator tubes. Thermal treatments (700 deg. C and 1050 deg. C) have been performed on several samples in Alloy 690 to obtain homogeneous grain sizes, varying from 25 μm to 110 μm. Two samples have been oxidised for four days in a recirculating autoclave, reproducing primary conditions. The changes of oxide composition and thickness were examined by ToF-SIMS on samples exposed to primary water conditions. The intensity profiles versus thicknesses of characteristic oxide anions, such as CrO - , NiO - or FeO - enable us to evaluate the effect of grain size and crystallographic orientation on the formation of an enriched inner chromium layer. As regards to the grain size, there was no effect on the growth, but smaller grains led to a chromium-rich oxide layer. The effect of crystallographic orientation was observed on the oxidation kinetics and the composition of oxide scales. (authors)

Passivation of hexagonal SiC surfaces by hydrogen termination

International Nuclear Information System (INIS)

Seyller, Thomas

2004-01-01

Surface hydrogenation is a well established technique in silicon technology. It is easily accomplished by wet-chemical procedures and results in clean and unreconstructed surfaces, which are extremely low in charged surface states and stable against oxidation in air, thus constituting an ideal surface preparation. As a consequence, methods for hydrogenation have been sought for preparing silicon carbide (SiC) surfaces with similar well defined properties. It was soon recognized, however, that due to different surface chemistry new ground had to be broken in order to find a method leading to the desired monatomic hydrogen saturation. In this paper the results of H passivation of SiC surfaces by high-temperature hydrogen annealing will be discussed, thereby placing emphasis on chemical, structural and electronic properties of the resulting surfaces. In addition to their unique properties, hydrogenated hexagonal SiC {0001} surfaces offer the interesting possibility of gaining insight into the formation of silicon- and carbon-rich reconstructions as well. This is due to the fact that to date hydrogenation is the only method providing oxygen-free surfaces with a C to Si ratio of 1:1. Last but not least, the electronic properties of hydrogen-free SiC {0001} surfaces will be alluded to. SiC {0001} surfaces are the only known semiconductor surfaces that can be prepared in their unreconstructed (1 x 1) state with one dangling bond per unit cell by photon induced hydrogen desorption. These surfaces give indications of a Mott-Hubbard surface band structure

A Model to Predict the Steady-State Concentration of Hydroxyl Radicals in the Surface Layer of Natural Waters

International Nuclear Information System (INIS)

Minero, C.; Lauri, V.; Maurino, V.; Pelizzetti, E.; Vione, D.

2007-01-01

A model was developed to predict the steady-state [·OH] in the surface layer of natural waters as a function of nitrate, inorganic carbon (IC) and dissolved organic matter (DOM). The parameter values were studied in the range detected in shallow high-mountain lakes, to which the model results are most relevant. Calculations indicate that [·OH] increases with increasing nitrate and decreasing IC, and conditions are also identified where [·OH] is directly proportional, inversely proportional or independent of DOM. Based on the model results it is possible to predict the half-life time, due to reaction with ·OH, of given dissolved compounds, including organic pollutants, from the water composition data

Adsorption-induced gap states of h-BN on metal surfaces

Science.gov (United States)

Preobrajenski, A. B.; Krasnikov, S. A.; Vinogradov, A. S.; Ng, May Ling; Käämbre, T.; Cafolla, A. A.; Mårtensson, N.

2008-02-01

The formation of hexagonal boron nitride (h-BN) monolayers on Ni(111), Rh(111), and Pt(111) has been studied by a combination of x-ray emission, angle-resolved valence band photoemission, and x-ray absorption in search for interface-induced gap states of h-BN . A significant density of both occupied and unoccupied gap states with N2p and B2p characters is observed for h-BN/Ni(111) , somewhat less for h-BN/Rh(111) and still less for h-BN/Pt(111) . X-ray emission shows that the h-BN monolayer is chemisorbed strongly on Ni(111) and very weakly on Pt(111). We associate the gap states of h-BN adsorbed on the transition metal surfaces with the orbital mixing and electron sharing at the interface because their density increases with the growing strength of chemisorption.

Fermi surface and quantum well states of V(110) films on W(110)

International Nuclear Information System (INIS)

Krupin, Oleg; Rotenberg, Eli; Kevan, S D

2007-01-01

Using angle-resolved photoemission spectroscopy, we have measured the Fermi surface of V(110) films epitaxially grown on a W(110) substrate. We compare our results for thicker films to existing calculations and measurements for bulk vanadium and find generally very good agreement. For thinner films, we observe and analyse a diverse array of quantum well states that split and distort the Fermi surface segments. We have searched unsuccessfully for a thickness-induced topological transition associated with contact between the zone-centre jungle gym and zone-boundary hole ellipsoid Fermi surface segments. We also find no evidence for ferromagnetic splitting of any bands on this surface

Fermi surface and quantum well states of V(110) films on W(110)

Energy Technology Data Exchange (ETDEWEB)

Krupin, Oleg [MS 6-2100, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Rotenberg, Eli [MS 6-2100, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Kevan, S D [Department of Physics, University of Oregon, Eugene, OR 97403 (United States)

2007-09-05

Using angle-resolved photoemission spectroscopy, we have measured the Fermi surface of V(110) films epitaxially grown on a W(110) substrate. We compare our results for thicker films to existing calculations and measurements for bulk vanadium and find generally very good agreement. For thinner films, we observe and analyse a diverse array of quantum well states that split and distort the Fermi surface segments. We have searched unsuccessfully for a thickness-induced topological transition associated with contact between the zone-centre jungle gym and zone-boundary hole ellipsoid Fermi surface segments. We also find no evidence for ferromagnetic splitting of any bands on this surface.

Temperature dependent surface modification of molybdenum due to low energy He+ ion irradiation

International Nuclear Information System (INIS)

Tripathi, J.K.; Novakowski, T.J.; Joseph, G.; Linke, J.; Hassanein, A.

2015-01-01

In this paper, we report on the temperature dependent surface modifications in molybdenum (Mo) samples due to 100 eV He + ion irradiation in extreme conditions as a potential candidate to plasma-facing components in fusion devices alternative to tungsten. The Mo samples were irradiated at normal incidence, using an ion fluence of 2.6 × 10 24 ions m −2 (with a flux of 7.2 × 10 20 ions m −2 s −1 ). Surface modifications have been studied using high-resolution field emission scanning electron-(SEM) and atomic force (AFM) microscopy. At 773 K target temperature homogeneous evolution of molybdenum nanograins on the entire Mo surface were observed. However, at 823 K target temperature appearance of nano-pores and pin-holes nearby the grain boundaries, and Mo fuzz in patches were observed. The fuzz density increases significantly with target temperatures and continued until 973 K. However, at target temperatures beyond 973 K, counterintuitively, a sequential reduction in the fuzz density has been seen till 1073 K temperatures. At 1173 K and above temperatures, only molybdenum nano structures were observed. Our temperature dependent studies confirm a clear temperature widow, 823–1073 K, for Mo fuzz formation. Ex-situ high resolution X-ray photoelectron spectroscopy studies on Mo fuzzy samples show the evidence of MoO 3 3d doublets. This elucidates that almost all the Mo fuzz were oxidized during open air exposure and are thick enough as well. Likewise the microscopy studies, the optical reflectivity measurements also show a sequential reduction in the reflectivity values (i.e., enhancement in the fuzz density) up to 973 K and after then a sequential enhancement in the reflectivity values (i.e., reduction in the fuzz density) with target temperatures. This is in well agreement with microscopy studies where we observed clear temperature window for Mo fuzz growth

High surface conductivity of Fermi-arc electrons in Weyl semimetals

Science.gov (United States)

Resta, Giacomo; Pi, Shu-Ting; Wan, Xiangang; Savrasov, Sergey Y.

2018-02-01

Weyl semimetals (WSMs), a new type of topological condensed matter, are currently attracting great interest due to their unusual electronic states and intriguing transport properties such as chiral anomaly induced negative magnetoresistance, a semiquantized anomalous Hall effect, and the debated chiral magnetic effect. These systems are close cousins of topological insulators (TIs) which are known for their disorder-tolerant surface states. Similarly, WSMs exhibit unique topologically protected Fermi-arc surface states. Here, we analyze electron-phonon scattering, a primary source of resistivity in metals at finite temperatures, as a function of the shape of the Fermi arc where we find that the impact on surface transport is significantly dependent on the arc curvature and disappears in the limit of a straight arc. Next, we discuss the effect of strong surface disorder on the resistivity by numerically simulating a tight-binding model with the presence of quenched surface vacancies using the coherent potential approximation and Kubo-Greenwood formalism. We find that the limit of a straight arc geometry is remarkably disorder tolerant, producing surface conductivity that is one to two orders of magnitude larger than a comparable setup with surface states of TI. This is primarily attributed to a significantly different hybridization strength of the surface states with the remaining electrons in two systems. Finally, a simulation of the effects of surface vacancies on TaAs is presented, illustrating the disorder tolerance of the topological surface states in a recently discovered WSM material.

Multimodal Nonlinear Optical Imaging for Sensitive Detection of Multiple Pharmaceutical Solid-State Forms and Surface Transformations.

Science.gov (United States)

Novakovic, Dunja; Saarinen, Jukka; Rojalin, Tatu; Antikainen, Osmo; Fraser-Miller, Sara J; Laaksonen, Timo; Peltonen, Leena; Isomäki, Antti; Strachan, Clare J

2017-11-07

Two nonlinear imaging modalities, coherent anti-Stokes Raman scattering (CARS) and sum-frequency generation (SFG), were successfully combined for sensitive multimodal imaging of multiple solid-state forms and their changes on drug tablet surfaces. Two imaging approaches were used and compared: (i) hyperspectral CARS combined with principal component analysis (PCA) and SFG imaging and (ii) simultaneous narrowband CARS and SFG imaging. Three different solid-state forms of indomethacin-the crystalline gamma and alpha forms, as well as the amorphous form-were clearly distinguished using both approaches. Simultaneous narrowband CARS and SFG imaging was faster, but hyperspectral CARS and SFG imaging has the potential to be applied to a wider variety of more complex samples. These methodologies were further used to follow crystallization of indomethacin on tablet surfaces under two storage conditions: 30 °C/23% RH and 30 °C/75% RH. Imaging with (sub)micron resolution showed that the approach allowed detection of very early stage surface crystallization. The surfaces progressively crystallized to predominantly (but not exclusively) the gamma form at lower humidity and the alpha form at higher humidity. Overall, this study suggests that multimodal nonlinear imaging is a highly sensitive, solid-state (and chemically) specific, rapid, and versatile imaging technique for understanding and hence controlling (surface) solid-state forms and their complex changes in pharmaceuticals.

Surface/state correspondence and bulk local operators in pp-wave holography

Directory of Open Access Journals (Sweden)

Nakwoo Kim

2015-12-01

Full Text Available We apply the surface/state correspondence proposal of Miyaji et al. to IIB pp-waves and propose that the bulk local operators should be instantonic D-branes. In line with ordinary AdS/CFT correspondence, the bulk local operators in pp-waves also create a hole, or a boundary, in the dual gauge theory as pointed out by H. Verlinde, and by Y. Nakayama and H. Ooguri. We also present simple calculations which illustrate how to extract the spacetime metric of pp-waves from instantonic D-branes in boundary state formalism.

Selective enhancement of surface-state emission and simultaneous quenching of interband transition in white-luminophor CdS nanocrystals using localized plasmon coupling

Energy Technology Data Exchange (ETDEWEB)

Ozel, Tuncay; Soganci, Ibrahim Murat; Nizamoglu, Sedat; Huyal, Ilkem Ozge; Mutlugun, Evren; Demir, Hilmi Volkan [Department of Physics, Department of Electrical and Electronics Engineering, Nanotechnology Research Center and Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800 (Turkey); Sapra, Sameer; Gaponik, Nikolai; Eychmueller, Alexander [Physical Chemistry/Electrochemistry Group, Technische Universitaet Dresden, Bergstr. 66b, Dresden 01062 (Germany)], E-mail: volkan@bilkent.edu.tr

2008-08-15

We propose and demonstrate the controlled modification and selective enhancement of surface-state emission in white-luminophor CdS nanocrystals (NCs) by plasmon-coupling them with proximal metal nanostructures. By carefully designing nano-Ag films to match their localized plasmon resonance spectrally with the surface-state emission peak of CdS NCs, we experimentally show that the surface-state emission is substantially enhanced in the visible wavelength, while the interband (band-edge) transition at the shorter wavelength far away from the plasmon resonance is simultaneously significantly suppressed. With such plasmon tuning and consequent strong plasmon coupling specifically for the surface-state transitions, the surface-state emission is made stronger than the band-edge emission. This corresponds to an enhancement factor of 12.7-fold in the ratio of the surface-state peak emission to the band-edge peak emission of the plasmon-coupled film sample compared with that in solution. Such a plasmonic engineering of surface-state emission in trap-rich CdS white nanoluminophors holds great promise for future solid-state lighting.

Selective enhancement of surface-state emission and simultaneous quenching of interband transition in white-luminophor CdS nanocrystals using localized plasmon coupling

International Nuclear Information System (INIS)

Ozel, Tuncay; Soganci, Ibrahim Murat; Nizamoglu, Sedat; Huyal, Ilkem Ozge; Mutlugun, Evren; Demir, Hilmi Volkan; Sapra, Sameer; Gaponik, Nikolai; Eychmueller, Alexander

2008-01-01

We propose and demonstrate the controlled modification and selective enhancement of surface-state emission in white-luminophor CdS nanocrystals (NCs) by plasmon-coupling them with proximal metal nanostructures. By carefully designing nano-Ag films to match their localized plasmon resonance spectrally with the surface-state emission peak of CdS NCs, we experimentally show that the surface-state emission is substantially enhanced in the visible wavelength, while the interband (band-edge) transition at the shorter wavelength far away from the plasmon resonance is simultaneously significantly suppressed. With such plasmon tuning and consequent strong plasmon coupling specifically for the surface-state transitions, the surface-state emission is made stronger than the band-edge emission. This corresponds to an enhancement factor of 12.7-fold in the ratio of the surface-state peak emission to the band-edge peak emission of the plasmon-coupled film sample compared with that in solution. Such a plasmonic engineering of surface-state emission in trap-rich CdS white nanoluminophors holds great promise for future solid-state lighting

A new corresponding state-based correlation for the surface tension of organic fatty acids

Science.gov (United States)

Zhang, Cuihua; Tian, Jianxiang; Zheng, Mengmeng; Yi, Huili; Zhang, Laibin; Liu, Shuzhen

2018-01-01

In this paper, we proposed a new corresponding state-based correlation for organic fatty (aliphatic, carboxylic and polyfunctional) acids. By using the recently published surface tension data of the 99 acids [A. Mulero and I. Cachadiña, J. Phys. Chem. Ref. Data 45 (2016) 033105] and comparing with the recently published other corresponding state correlations, we found that this correlation reproduces the lowest absolute average deviation (AAD) values for 82 acids out of the 99 acids. It can reproduce the surface tension data with AAD less than 10% for 89 out of the 99 acids.

Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Sc, Ti, V, Cu and Zn

International Nuclear Information System (INIS)

Biesinger, Mark C.; Lau, Leo W.M.; Gerson, Andrea R.; Smart, Roger St.C.

2010-01-01

Chemical state X-ray photoelectron spectroscopic analysis of first row transition metals and their oxides and hydroxides is challenging due to the complexity of the 2p spectra resulting from peak asymmetries, complex multiplet splitting, shake-up and plasmon loss structure, and uncertain, overlapping binding energies. A review of current literature shows that all values necessary for reproducible, quantitative chemical state analysis are usually not provided. This paper reports a more consistent, practical and effective approach to curve-fitting the various chemical states in a variety of Sc, Ti, V, Cu and Zn metals, oxides and hydroxides. The curve-fitting procedures proposed are based on a combination of (1) standard spectra from quality reference samples, (2) a survey of appropriate literature databases and/or a compilation of the literature references, and (3) specific literature references where fitting procedures are available. Binding energies, full-width at half maximum (FWHM) values, spin-orbit splitting values, asymmetric peak-shape fitting parameters, and, for Cu and Zn, Auger parameters values are presented. The quantification procedure for Cu species details the use of the shake-up satellites for Cu(II)-containing compounds and the exact binding energies of the Cu(0) and Cu(I) peaks. The use of the modified Auger parameter for Cu and Zn species allows for corroborating evidence when there is uncertainty in the binding energy assignment. These procedures can remove uncertainties in analysis of surface states in nano-particles, corrosion, catalysis and surface-engineered materials.

Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Sc, Ti, V, Cu and Zn

Energy Technology Data Exchange (ETDEWEB)

Biesinger, Mark C., E-mail: biesingr@uwo.ca [Surface Science Western, University of Western Ontario, University of Western Ontario Research Park, Room LL31, 999 Collip Circle, London, Ontario, N6G 0J3 (Canada); ACeSSS (Applied Centre for Structural and Synchrotron Studies), University of South Australia, Mawson Lakes, SA 5095 (Australia); Lau, Leo W.M. [Surface Science Western, University of Western Ontario, University of Western Ontario Research Park, Room LL31, 999 Collip Circle, London, Ontario, N6G 0J3 (Canada); Department of Chemistry, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Gerson, Andrea R.; Smart, Roger St.C. [ACeSSS (Applied Centre for Structural and Synchrotron Studies), University of South Australia, Mawson Lakes, SA 5095 (Australia)

2010-11-15

Chemical state X-ray photoelectron spectroscopic analysis of first row transition metals and their oxides and hydroxides is challenging due to the complexity of the 2p spectra resulting from peak asymmetries, complex multiplet splitting, shake-up and plasmon loss structure, and uncertain, overlapping binding energies. A review of current literature shows that all values necessary for reproducible, quantitative chemical state analysis are usually not provided. This paper reports a more consistent, practical and effective approach to curve-fitting the various chemical states in a variety of Sc, Ti, V, Cu and Zn metals, oxides and hydroxides. The curve-fitting procedures proposed are based on a combination of (1) standard spectra from quality reference samples, (2) a survey of appropriate literature databases and/or a compilation of the literature references, and (3) specific literature references where fitting procedures are available. Binding energies, full-width at half maximum (FWHM) values, spin-orbit splitting values, asymmetric peak-shape fitting parameters, and, for Cu and Zn, Auger parameters values are presented. The quantification procedure for Cu species details the use of the shake-up satellites for Cu(II)-containing compounds and the exact binding energies of the Cu(0) and Cu(I) peaks. The use of the modified Auger parameter for Cu and Zn species allows for corroborating evidence when there is uncertainty in the binding energy assignment. These procedures can remove uncertainties in analysis of surface states in nano-particles, corrosion, catalysis and surface-engineered materials.

Plurality of Birth and Infant Mortality Due to External Causes in the United States, 2000-2010.

Science.gov (United States)

Ahrens, Katherine A; Thoma, Marie E; Rossen, Lauren M; Warner, Margaret; Simon, Alan E

2017-03-01

Risk of death during the first year of life due to external causes, such as unintentional injury and homicide, may be higher among twins and higher-order multiples than among singletons in the United States. We used national birth cohort linked birth-infant death data (2000-2010) to evaluate the risk of infant mortality due to external causes in multiples versus singletons in the United States. Risk of death from external causes during the study period was 3.6 per 10,000 live births in singletons and 5.1 per 10,000 live births in multiples. Using log-binomial regression, the corresponding unadjusted risk ratio was 1.40 (95% confidence interval (CI): 1.30, 1.50). After adjustment for maternal age, marital status, race/ethnicity, and education, the risk ratio was 1.68 (95% CI: 1.56, 1.81). Infant deaths due to external causes were most likely to occur between 2 and 7 months of age. Applying inverse probability weighting and assuming a hypothetical intervention where no infants were low birth weight, the adjusted controlled direct effect of plurality on infant mortality due to external causes was 1.64 (95% CI: 1.39, 1.97). Twins and higher-order multiples were at greater risk of infant mortality due to external causes, particularly between 2 and 7 months of age, and this risk appeared to be mediated largely by factors other than low-birth-weight status. Published by Oxford University Press on behalf of the Johns Hopkins Bloomberg School of Public Health 2017. This work is written by (a) US Government employee(s) and is in the public domain in the US.

Quantum confinement and heavy surface states of Dirac fermions in bismuth (111) films: An analytical approach

Science.gov (United States)

Enaldiev, V. V.; Volkov, V. A.

2018-03-01

Recent high-resolution angle-resolved photoemission spectroscopy experiments have given a reason to believe that pure bismuth is a topologically nontrivial semimetal. We derive an analytic theory of surface and size-quantized states of Dirac fermions in Bi(111) films taking into account the new data. The theory relies on a new phenomenological momentum-dependent boundary condition for the effective Dirac equation. The boundary condition is described by two real parameters that are expressed by a linear combination of the Dresselhaus and Rashba interface spin-orbit interaction parameters. In semi-infinite Bi(111), near the M ¯ point the surface states possess anisotropical parabolic dispersion with very heavy effective mass in the Γ ¯-M ¯ direction order of ten free electron masses and light effective mass in the M ¯-K ¯ direction order of one hundredth of free electron mass. In Bi(111) films with equivalent surfaces, the surface states from top and bottom surfaces are not split. In such a symmetric film with arbitrary thickness, the bottom of the lowest quantum confinement subband in the conduction band coincides with the bottom of the bulk conduction band in the M ¯ point.

Cesium ion bombardment of metal surfaces

International Nuclear Information System (INIS)

Tompa, G.S.

1986-01-01

The steady state cesium coverage due to cesium ion bombardment of molybdenum and tungsten was studied for the incident energy range below 500 eV. When a sample is exposed to a positive ion beam, the work function decreases until steady state is reached with a total dose of less than ≅10 16 ions/cm 2 , for both tungsten and molybdenum. A steady state minimum work function surface is produced at an incident energy of ≅100 eV for molybdenum and at an incident energy of ≅45 eV for tungsten. Increasing the incident energy results in an increase in the work function corresponding to a decrease in the surface coverage of cesium. At incident energies less than that giving the minimum work function, the work function approaches that of cesium metal. At a given bombarding energy the cesium coverage of tungsten is uniformly less than that of molybdenum. Effects of hydrogen gas coadsorption were also examined. Hydrogen coadsorption does not have a large effect on the steady state work functions. The largest shifts in the work function due to the coadsorption of hydrogen occur on the samples when there is no cesium present. A theory describing the steady-state coverage was developed is used to make predictions for other materials. A simple sticking and sputtering relationship, not including implantation, cannot account for the steady state coverage. At low concentrations, cesium coverage of a target is proportional to the ratio of (1 - β)/γ where β is the reflection coefficient and γ is the sputter yield. High coverages are produced on molybdenum due to implantation and low backscattering, because molybdenum is lighter than cesium. For tungsten the high backscattering and low implantation result in low coverages

State-dependent errors in a land surface model across biomes inferred from eddy covariance observations on multiple timescales

NARCIS (Netherlands)

Wang, T.; Brender, P.; Ciais, P.; Piao, S.; Mahecha, M.D.; Chevallier, F.; Reichstein, M.; Ottle, C.; Maignan, F.; Arain, A.; Bohrer, G.; Cescatti, A.; Kiely, G.; Law, B.E.; Lutz, M.; Montagnani, L.; Moors, E.J.

2012-01-01

Characterization of state-dependent model biases in land surface models can highlight model deficiencies, and provide new insights into model development. In this study, artificial neural networks (ANNs) are used to estimate the state-dependent biases of a land surface model (ORCHIDEE: ORganising

Comparison of cropland and forest surface temperatures across the conterminous United States

Science.gov (United States)

Global climate models (GCM) investigating the effects of land cover on climate have found that replacing extra-tropical forest with cropland promotes cooling. We compared cropland and forest surface temperatures across the continental United States in 16 cells that were approxim...

A parametric finite element method for solid-state dewetting problems with anisotropic surface energies

Science.gov (United States)

Bao, Weizhu; Jiang, Wei; Wang, Yan; Zhao, Quan

2017-02-01

We propose an efficient and accurate parametric finite element method (PFEM) for solving sharp-interface continuum models for solid-state dewetting of thin films with anisotropic surface energies. The governing equations of the sharp-interface models belong to a new type of high-order (4th- or 6th-order) geometric evolution partial differential equations about open curve/surface interface tracking problems which include anisotropic surface diffusion flow and contact line migration. Compared to the traditional methods (e.g., marker-particle methods), the proposed PFEM not only has very good accuracy, but also poses very mild restrictions on the numerical stability, and thus it has significant advantages for solving this type of open curve evolution problems with applications in the simulation of solid-state dewetting. Extensive numerical results are reported to demonstrate the accuracy and high efficiency of the proposed PFEM.

Surface analysis of selected hydrophobic materials

Science.gov (United States)

Wisniewska, Sylwia Katarzyna

life development as part of the straw degradation process. Three different classes of hydrophobic surfaces have been studied, and in each case important surface chemistry issues have been identified that influence the hydrophobic state. Many of the studies are unique to the particular system, but common phenomena that influence the hydrophobic state of all of these surfaces include time dependence due to crystallization and chemical degradation (oxidation, hydration, biological activity).

Surface conduction of topological Dirac electrons in bulk insulating Bi2Se3

Science.gov (United States)

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.

Experimental study of heat transfer enhancement due to the surface vibrations in a flexible double pipe heat exchanger

Science.gov (United States)

Hosseinian, A.; Meghdadi Isfahani, A. H.

2018-04-01

In this study, the heat transfer enhancement due to the surface vibration for a double pipe heat exchanger, made of PVDF, is investigated. In order to create forced vibrations (3-9 m/s2, 100 Hz) on the outer surface of the heat exchanger electro-dynamic vibrators are used. Experiments were performed at inner Reynolds numbers ranging from 2533 to 9960. The effects of volume flow rate and temperature on heat transfer performance are evaluated. Results demonstrated that heat transfer coefficient increases by increasing vibration level and mass flow rate. The most increase in heat transfer coefficient is 97% which is obtained for the highest vibration level (9 m/s2) in the experiment range.

Saddle-like topological surface states on the T T'X family of compounds (T , T' = Transition metal, X =Si , Ge)

Science.gov (United States)

Singh, Bahadur; Zhou, Xiaoting; Lin, Hsin; Bansil, Arun

2018-02-01

Topological nodal-line semimetals are exotic conductors that host symmetry-protected conducting nodal lines in their bulk electronic spectrum and nontrivial drumhead states on the surface. Based on first-principles calculations and an effective model analysis, we identify the presence of topological nodal-line semimetal states in the low crystalline symmetric T T'X family of compounds (T ,T' = transition metal, X = Si or Ge) in the absence of spin-orbit coupling (SOC). Taking ZrPtGe as an exemplar system, we show that owing to small lattice symmetry this material harbors a single nodal line on the ky=0 plane with large energy dispersion and unique drumhead surface state with a saddlelike energy dispersion. When the SOC is included, the nodal line gaps out and the system transitions to a strong topological insulator state with Z2=(1 ;000 ) . The topological surface state evolves from the drumhead surface state via the sharing of its saddlelike energy dispersion within the bulk energy gap. These features differ remarkably from those of the currently known topological surface states in topological insulators such as Bi2Se3 with Dirac-cone-like energy dispersions.

On the bound states of Schrodinger operators with -interactions on conical surfaces

Czech Academy of Sciences Publication Activity Database

Lotoreichik, Vladimir; Ourmieres-Bonafos, T.

2016-01-01

Roč. 41, č. 6 (2016), s. 999-1028 ISSN 0360-5302 Institutional support: RVO:61389005 Keywords : conical and hyperconical surfaces * delta-interaction * existence of bound states * Schrodinger operator * spectral asymptotics Subject RIV: BE - Theoretical Physics Impact factor: 1.608, year: 2016

Electrokinetics on superhydrophobic surfaces

International Nuclear Information System (INIS)

Papadopoulos, Periklis; Deng Xu; Vollmer, Doris; Butt, Hans-Jürgen

2012-01-01

On a superhydrophobic surface a liquid is exposed to a large air-water interface. The reduced wall friction is expected to cause a higher electro-osmotic mobility. On the other hand, the low charge density of a superhydrophobic surface reduces the electro-osmotic mobility. Due to a lack of experimental data it has not been clear so far whether the reduced wall friction or the reduced charge density dominate the electrokinetic mobilities. To separate the relative contributions of electrophoresis and electro-osmosis, the mobilities of colloids on a negatively charged hydrophilic, a superhydrophobic (Cassie) and a partially hydrophilized superhydrophobic (Cassie composite) coating were measured. To vary the charge density as well as its sign with respect to those of the colloids the partially hydrophilized surfaces were coated with polyelectrolytes. We analyzed the electrokinetic mobilities of negatively charged polystyrene colloids dispersed in aqueous medium on porous hydrophilic and superhydrophobic surfaces by confocal laser scanning electron microscopy. In all cases, the external electric field was parallel to the surface. The total electrokinetic mobilities on the superhydrophobic (Cassie) and negatively charged partially hydrophilized (Cassie composite) surfaces were similar, showing that electro-osmosis is small compared to electrophoresis. The positively charged Cassie composite surfaces tend to ‘trap’ the colloids due to attracting electrostatic interactions and rough morphology, reducing the mobility. Thus, either the charge density of the coatings in the Cassie composite state or its slip length is too low to enhance electro-osmosis.

Role of the oxidation state of cerium on the ceria surfaces for silicate adsorption

Energy Technology Data Exchange (ETDEWEB)

Seo, Jihoon [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of); Moon, Jinok [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of); Clean/CMP Technology Team, Memory, Samsung Electronics, Hwaseong (Korea, Republic of); Kim, Joo Hyun; Lee, Kangchun [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of); Hwang, Junha [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of); Materials R& D Center, K.C.Tech, Anseong (Korea, Republic of); Yoon, Heesung [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of); Yi, Dong Kee, E-mail: vitalis@mju.ac.kr [Department of Chemistry, Myongji University, Yongin (Korea, Republic of); Paik, Ungyu, E-mail: upaik@hanyang.ac.kr [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of)

2016-12-15

Highlights: • We investigated the role of Ce oxidation state (Ce{sup 3+}/Ce{sup 4+}) on the CeO{sub 2} surfaces for the silicate adsorption. • As the Ce{sup 3+} concentration increased from 19.3 to 27.6%, the surface density of −OH group increased from 0.34 to 0.72 OH/nm{sup 2}. • The Freundlich constant for the relative adsorption capacity (K{sub F}) and adsorption intensity (1/n) indicated that CeO{sub 2} NPs with high Ce{sup 3+} concentration show higher adsorption affinity with silicate ions. - Abstract: In this study, we have investigated the role of the Ce oxidation state (Ce{sup 3+}/Ce{sup 4+}) on the CeO{sub 2} surfaces for silicate adsorption. In aqueous medium, the Ce{sup 3+} sites lead to the formation of −OH groups at the CeO{sub 2} surface through H{sub 2}O dissociation. Silicate ions can adsorb onto the CeO{sub 2} surface through interaction with the −OH groups (−Ce−OH− + −Si−O{sup −} ↔ −Ce−O−Si− + OH{sup −}). As the Ce{sup 3+} concentration increased from 19.3 to 27.6%, the surface density of −OH group increased from 0.34 to 0.72 OH/nm{sup 2}. To evaluate the adsorption behaviors of silicate ions onto CeO{sub 2} NPs, we carried out an adsorption isothermal analysis, and the adsorption isotherm data followed the Freundlich model. The Freundlich constant for the relative adsorption capacity (K{sub F}) and adsorption intensity (1/n) indicated that CeO{sub 2} NPs with high Ce{sup 3+} concentration show higher adsorption affinity with silicate ions. As a result, we have demonstrated that the Ce oxidation state (Ce{sup 3+}/Ce{sup 4+}) on the CeO{sub 2} surface can have a significant influence on the silicate adsorption.

A summary of fish and wildlife information needs to surface mine coal in the United States. Part 2. The status of state surface mining regulations as of January 1980 and the fish and wildlife information needs. Final report

Energy Technology Data Exchange (ETDEWEB)

1980-01-01

This is part 2 of a three part series to assist government agencies and private citizens in determining fish and wildlife information needs for new coal mining operations pursuant to the Surface Mining Control and Reclamation Act of 1977. This portion documents the status of individual state surface mining regulations as of January 1980 in those states having significant strippable reserves and/or active strip mining operations. It also provides documentation of fish and wildlife information needs identified in the state regulations of compliance to PL 95-87.

CAUSES: On the Role of Surface Energy Budget Errors to the Warm Surface Air Temperature Error Over the Central United States

Science.gov (United States)

Ma, H.-Y.; Klein, S. A.; Xie, S.; Zhang, C.; Tang, S.; Tang, Q.; Morcrette, C. J.; Van Weverberg, K.; Petch, J.; Ahlgrimm, M.; Berg, L. K.; Cheruy, F.; Cole, J.; Forbes, R.; Gustafson, W. I.; Huang, M.; Liu, Y.; Merryfield, W.; Qian, Y.; Roehrig, R.; Wang, Y.-C.

2018-03-01

Many weather forecast and climate models simulate warm surface air temperature (T2m) biases over midlatitude continents during the summertime, especially over the Great Plains. We present here one of a series of papers from a multimodel intercomparison project (CAUSES: Cloud Above the United States and Errors at the Surface), which aims to evaluate the role of cloud, radiation, and precipitation biases in contributing to the T2m bias using a short-term hindcast approach during the spring and summer of 2011. Observations are mainly from the Atmospheric Radiation Measurement Southern Great Plains sites. The present study examines the contributions of surface energy budget errors. All participating models simulate too much net shortwave and longwave fluxes at the surface but with no consistent mean bias sign in turbulent fluxes over the Central United States and Southern Great Plains. Nevertheless, biases in the net shortwave and downward longwave fluxes as well as surface evaporative fraction (EF) are contributors to T2m bias. Radiation biases are largely affected by cloud simulations, while EF bias is largely affected by soil moisture modulated by seasonal accumulated precipitation and evaporation. An approximate equation based upon the surface energy budget is derived to further quantify the magnitudes of radiation and EF contributions to T2m bias. Our analysis ascribes that a large EF underestimate is the dominant source of error in all models with a large positive temperature bias, whereas an EF overestimate compensates for an excess of absorbed shortwave radiation in nearly all the models with the smallest temperature bias.

Trapped surfaces due to concentration of gravitational radiation

International Nuclear Information System (INIS)

Beig, R.; O Murchadha, N.

1991-01-01

Sequences of global, asympotically flat solutions to the time-symmetric initial value constraints of general relativity in vacuo are constructed which develop outer trapped surfaces for large values of the argument. Thus all such configurations must gravitationally collapse. A new proof of the positivity of mass in the strong-field regime is also found. (Authors) 22 refs

Changes in phase composition and stress state of surface layers of VK20 hard alloy after ion bombardment

International Nuclear Information System (INIS)

Platonov, G.L.; Leonov, E.Yu.; Anikin, V.N.; Anikeev, A.I.

1988-01-01

Titanium ion bombardment of the surface of the hard VK20 alloy is studied for its effect on variations in the phase and chemical composition of its surface layers. It is stated that ion treatment results in the appearance of the η-phase of Co 6 W 6 C composition in the surface layer of the VK20 alloy, in the increase of distortions and decrease of coherent scattering blocks of the hard alloy carbide phase. Such a bombardment is found to provoke a transition of the plane-stressed state of the hard alloy surface into the volume-stressed state. It is established that ion treatment does not cause an allotropic transition of the cobalt phase α-modification, formed during grinding of the hard alloy, into the β-modification

Impact of satellite-based lake surface observations on the initial state of HIRLAM. Part II: Analysis of lake surface temperature and ice cover

Directory of Open Access Journals (Sweden)

Homa Kheyrollah Pour

2014-09-01

Full Text Available This paper presents results from a study on the impact of remote-sensing Lake Surface Water Temperature (LSWT observations in the analysis of lake surface state of a numerical weather prediction (NWP model. Data assimilation experiments were performed with the High Resolution Limited Area Model (HIRLAM, a three-dimensional operational NWP model. Selected thermal remote-sensing LSWT observations provided by the Moderate Resolution Imaging Spectroradiometer (MODIS and Advanced Along-Track Scanning Radiometer (AATSR sensors onboard the Terra/Aqua and ENVISAT satellites, respectively, were included into the assimilation. The domain of our experiments, which focussed on two winters (2010–2011 and 2011–2012, covered northern Europe. Validation of the resulting objective analyses against independent observations demonstrated that the description of the lake surface state can be improved by the introduction of space-borne LSWT observations, compared to the result of pure prognostic parameterisations or assimilation of the available limited number of in-situ lake temperature observations. Further development of the data assimilation methods and solving of several practical issues are necessary in order to fully benefit from the space-borne observations of lake surface state for the improvement of the operational weather forecast. This paper is the second part of a series of two papers aimed at improving the objective analysis of lake temperature and ice conditions in HIRLAM.

Characterization of Silicon Nanocrystal Surfaces by Multidimensional Solid-State NMR Spectroscopy

International Nuclear Information System (INIS)

Hanrahan, Michael P.; Fought, Ellie L.; Windus, Theresa L.; Wheeler, Lance M.; Anderson, Nicholas C.

2017-01-01

The chemical and photophysical properties of silicon nanocrystals (Si NCs) are strongly dependent on the chemical composition and structure of their surfaces. Here we use fast magic angle spinning (MAS) and proton detection to enable the rapid acquisition of dipolar and scalar 2D 1 H– 29 Si heteronuclear correlation (HETCOR) solid-state NMR spectra and reveal a molecular picture of hydride-terminated and alkyl-functionalized surfaces of Si NCs produced in a nonthermal plasma. 2D 1 H– 29 Si HETCOR and dipolar 2D 1 H– 1 H multiple-quantum correlation spectra illustrate that resonances from surface mono-, di-, and trihydride groups cannot be resolved, contrary to previous literature assignments. Instead the 2D NMR spectra illustrate that there is large distribution of 1 H and 29 Si chemical shifts for the surface hydride species in both the as-synthesized and functionalized Si NCs. However, proton-detected 1 H– 29 Si refocused INEPT experiments can be used to unambiguously differentiate NMR signals from the different surface hydrides. Varying the 29 Si evolution time in refocused INEPT experiments and fitting the oscillation of the NMR signals allows for the relative populations of the different surface hydrides to be estimated. This analysis confirms that monohydride species are the predominant surface species on the as-synthesized Si NCs. A reduction in the populations of the di- and trihydrides is observed upon functionalization with alkyl groups, consistent with our previous hypothesis that the trihydride, or silyl (*SiH 3 ), group is primarily responsible for initiating surface functionalization reactions. Density functional theory (DFT) calculations were used to obtain quantum chemical structural models of the Si NC surface and reproduce the observed 1 H and 29 Si chemical shifts. Furthermore, the approaches outlined here will be useful to obtain a more detailed picture of surface structures for Si NCs and other hydride-passivated nanomaterials.

A thin rivulet or ridge subject to a uniform transverse shear stress at its free surface due to an external airflow

KAUST Repository

Sullivan, J. M.; Paterson, C.; Wilson, S. K.; Duffy, B. R.

2012-01-01

We use the lubrication approximation to analyze three closely related problems involving a thin rivulet or ridge (i.e., a two-dimensional droplet) of fluid subject to a prescribed uniform transverse shear stress at its free surface due

Road surface erosion on the Jackson Demonstration State Forest: results of a pilot study

Science.gov (United States)

Brian Barrett; Rosemary Kosaka; David. Tomberlin

2012-01-01

This paper presents results of a 3 year pilot study of surface erosion on forest roads in the Jackson Demonstration State Forest in California’s coastal redwood region. Ten road segments representing a range of surface, grade, and ditch conditions were selected for the study. At each segment, settling basins with tipping buckets were installed to measure...

Surface and Core Electronic Structure of Oxidized Silicon Nanocrystals

Directory of Open Access Journals (Sweden)

Noor A. Nama

2010-01-01

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

Coma Morphology Due to an Extended Active Region and Implications for the Spin State of Comet Hale-Bopp

Science.gov (United States)

Samarasinha, Nalin H.

2000-01-01

We show that the circular character of continuum structures observed in the coma of comet Hale-Bopp around the perihelion passage is most likely due to a dust jet from a large extended active region on the surface. Coma morphology due to a wide jet is different from that due to a narrow jet. The latter shows foreshortening effects due to observing geometry, wider jet produces more circular features. This circularization effect provides a self-consistent explanation for the evolution of near-perihelion coma morphology. No changes in the direction of the rotational angular momentum vector are required during this period in contrast to the models of Schleicher et al. This circularization effect also enables us to produce near-circular coma features in the S-E quadrant during 1997 late February and therefore questions the basic premise on which Sekanina bases his morphological arguments for a gravitationally bound satellite nucleus.

Resistivity scaling due to electron surface scattering in thin metal layers

Science.gov (United States)

Zhou, Tianji; Gall, Daniel

2018-04-01

The effect of electron surface scattering on the thickness-dependent electrical resistivity ρ of thin metal layers is investigated using nonequilibrium Green's function density functional transport simulations. Cu(001) thin films with thickness d =1 -2 nm are used as a model system, employing a random one-monolayer-high surface roughness and frozen phonons to cause surface and bulk scattering, respectively. The zero-temperature resistivity increases from 9.7 ±1.0 μ Ω cm at d =1.99 nm to 18.7 ±2.6 μ Ω cm at d =0.9 0 nm, contradicting the asymptotic T =0 prediction from the classical Fuchs-Sondheimer model. At T =9 00 K, ρ =5.8 ±0.1 μ Ω cm for bulk Cu and ρ =13.4 ±1.1 and 22.5 ±2.4 μ Ω cm for layers with d =1.99 and 0.90 nm, respectively, indicating an approximately additive phonon contribution which, however, is smaller than for bulk Cu or atomically smooth layers. The overall data indicate that the resistivity contribution from surface scattering is temperature-independent and proportional to 1 /d , suggesting that it can be described using a surface-scattering mean-free path λs for 2D transport which is channel-independent and proportional to d . Data fitting indicates λs=4 ×d for the particular simulated Cu(001) surfaces with a one-monolayer-high surface roughness. The 1 /d dependence deviates considerably from previous 1 /d2 predictions from quantum models, indicating that the small-roughness approximation in these models is not applicable to very thin (<2 nm) layers, where the surface roughness is a considerable fraction of d .

The burden of disease due to tuberculosis in the state of Santa Catarina, Brazil.

Science.gov (United States)

Ferrer, Glênio César Nunes; da Silva, Rosemeri Maurici; Ferrer, Kelian Tenfen; Traebert, Jefferson

2014-01-01

To estimate the burden of disease due to tuberculosis in the state of Santa Catarina, Brazil, in 2009. This was an epidemiological study with an ecological design. Data on tuberculosis incidence and mortality were collected from specific Brazilian National Ministry of Health databases. The burden of disease due to tuberculosis was based on the calculation of disability-adjusted life years (DALYs). The DALYs were estimated by adding the years of life lost (YLLs) and years lived with disability (YLDs). Absolute values were transformed into rates per 100,000 population. The rates were calculated by gender, age group, and health care macroregion. The burden of disease due to tuberculosis was 5,644.27 DALYs (92.25 DALYs/100,000 population), YLLs and YLDs respectively accounting for 78.77% and 21.23% of that total. The highest rates were found in males in the 30-44 and 45-59 year age brackets, although that was not true in every health care macroregion. Overall, the highest estimated burden was in the Planalto Norte macroregion (179.56 DALYs/100,000 population), followed by the Nordeste macroregion (167.07 DALYs/100,000 population). In the majority of the health care macroregions of Santa Catarina, the burden of disease due to tuberculosis was concentrated in adult males, the level of that concentration varying among the various macroregions.

The burden of disease due to tuberculosis in the state of Santa Catarina, Brazil

Directory of Open Access Journals (Sweden)

Glenio Cesar Nunes Ferrer

2014-01-01

Full Text Available OBJECTIVE: To estimate the burden of disease due to tuberculosis in the state of Santa Catarina, Brazil, in 2009. METHODS: This was an epidemiological study with an ecological design. Data on tuberculosis incidence and mortality were collected from specific Brazilian National Ministry of Health databases. The burden of disease due to tuberculosis was based on the calculation of disability-adjusted life years (DALYs. The DALYs were estimated by adding the years of life lost (YLLs and years lived with disability (YLDs. Absolute values were transformed into rates per 100,000 population. The rates were calculated by gender, age group, and health care macroregion. RESULTS: The burden of disease due to tuberculosis was 5,644.27 DALYs (92.25 DALYs/100,000 population, YLLs and YLDs respectively accounting for 78.77% and 21.23% of that total. The highest rates were found in males in the 30-44 and 45-59 year age brackets, although that was not true in every health care macroregion. Overall, the highest estimated burden was in the Planalto Norte macroregion (179.56 DALYs/100,000 population, followed by the Nordeste macroregion (167.07 DALYs/100,000 population. CONCLUSIONS: In the majority of the health care macroregions of Santa Catarina, the burden of disease due to tuberculosis was concentrated in adult males, the level of that concentration varying among the various macroregions.

Free surface flow under gravity and surface tension due to an applied pressure distribution: i Bond number greater than one-third

Energy Technology Data Exchange (ETDEWEB)

Maleewong, Montri; Asavanant, Jack [Chulalongkorn University, Department of Mathematics and Advanced Virtual Intelligence Computing Center, Bangkok (Thailand); Grimshaw, Roger [Loughborough University, Department of Mathematical Sciences, Loughborough (United Kingdom)

2005-08-01

We consider steady free surface two-dimensional flow due to a localized applied pressure distribution under the effects of both gravity and surface tension in water of constant depth, and in the presence of a uniform stream. The fluid is assumed to be inviscid and incompressible, and the flow is irrotational. The behavior of the forced nonlinear waves is characterized by three parameters: the Froude number, F, the Bond number, {tau}>1/3, and the magnitude and sign of the pressure forcing parameter {epsilon}. The fully nonlinear wave problem is solved numerically by using a boundary integral method. For small amplitude waves and F<1 but not too close to 1, linear theory gives a good prediction for the numerical solution of the nonlinear problem in the case of bifurcation from the uniform flow. As F approaches 1, the nonlinear terms need to be taken account of. In this case the forced Korteweg-de Vries equation is found to be an appropriate model to describe bifurcations from an unforced solitary wave. In general, it is found that for given values of F<1 and {tau}>1/3, there exists both elevation and depression waves. In some cases, a limiting configuration in the form of a trapped bubble occurs in the depression wave solutions. (orig.)

Chemical imaging and solid state analysis at compact surfaces using UV imaging

DEFF Research Database (Denmark)

Wu, Jian X.; Rehder, Sönke; van den Berg, Frans

2014-01-01

and excipients in a non-invasive way, as well as mapping the glibenclamide solid state form. An exploratory data analysis supported the critical evaluation of the mapping results and the selection of model parameters for the chemical mapping. The present study demonstrated that the multi-wavelength UV imaging......Fast non-destructive multi-wavelength UV imaging together with multivariate image analysis was utilized to visualize distribution of chemical components and their solid state form at compact surfaces. Amorphous and crystalline solid forms of the antidiabetic compound glibenclamide...

Terrestrial Ecosystems - Land Surface Forms of the Conterminous United States

Science.gov (United States)

Cress, Jill J.; Sayre, Roger G.; Comer, Patrick; Warner, Harumi

2009-01-01

As part of an effort to map terrestrial ecosystems, the U.S. Geological Survey has generated land surface form classes to be used in creating maps depicting standardized, terrestrial ecosystem models for the conterminous United States, using an ecosystems classification developed by NatureServe . A biophysical stratification approach, developed for South America and now being implemented globally, was used to model the ecosystem distributions. Since land surface forms strongly influence the differentiation and distribution of terrestrial ecosystems, they are one of the key input layers in this biophysical stratification. After extensive investigation into various land surface form mapping methodologies, the decision was made to use the methodology developed by the Missouri Resource Assessment Partnership (MoRAP). MoRAP made modifications to Hammond's land surface form classification, which allowed the use of 30-meter source data and a 1-km2 window for analyzing the data cell and its surrounding cells (neighborhood analysis). While Hammond's methodology was based on three topographic variables, slope, local relief, and profile type, MoRAP's methodology uses only slope and local relief. Using the MoRAP method, slope is classified as gently sloping when more than 50 percent of the area in a 1-km2 neighborhood has slope less than 8 percent, otherwise the area is considered moderately sloping. Local relief, which is the difference between the maximum and minimum elevation in a neighborhood, is classified into five groups: 0-15 m, 16-30 m, 31-90 m, 91-150 m, and >150 m. The land surface form classes are derived by combining slope and local relief to create eight landform classes: flat plains (gently sloping and local relief = 90 m), low hills (not gently sloping and local relief = 150 m). However, in the USGS application of the MoRAP methodology, an additional local relief group was used (> 400 m) to capture additional local topographic variation. As a result, low

Re-dispersion of alumina particles in water: influence of the surface state

International Nuclear Information System (INIS)

Desset, Sabine

1999-01-01

The aim of this work was to determine the mechanisms by which suspensions of alpha alumina particles may be dried and then re-dispersed spontaneously in water. To get reproducible results, we designed appropriate protocols: (i) for preparing the surface state, and for generating controlled interparticle contacts (presence of water or complexing agents); (ii) for measuring the amount of re-dispersed material with a proper averaging over all interparticle bonds (turbidity). These results show that there are thresholds, determined by the conditions of drying and re-dispersion, where all the powder goes from the aggregated state to the dispersed state. With hydrated powders, it was found that mild changes in the chemical conditions (pH) and application of very weak mechanical forces (sedimentation) were enough to cause significant change in re-dispersion. According to these thresholds, a re-dispersion mechanism could be identified. Re-dispersion is ruled, indeed, by a balance of forces and the displacement of the re-dispersion thresholds indicates a shift in the balance of forces. These forces are the well known forces that control colloidal stability: van der Waals attraction, electrostatic repulsion and hydration forces. We found that hydration acts as a repulsive wall corresponding to one or two monolayers of water on each surface and depends on the Relative Humidity of drying. We also found that electrostatic repulsions at short separations are much weaker than the predictions based on the Poisson Boltzmann equation, but should be modelled according to the triple layer model. Repulsions to be considered are those calculated with the screened charges of the particles. Another aim of this work was to facilitate re-dispersion by using complexing agents that bind to the surfaces and add a steric repulsion We have found that molecules with carboxylic and hydroxyl groups can be efficient in this respect, if they are bound to surfaces before aggregation, if they are not

Re-dispersion of alumina particles in water: influence of the surface state

International Nuclear Information System (INIS)

Desset, Sabine

1999-01-01

The aim of this work was to determine the mechanisms by which suspensions of alpha alumina particles may be dried and then re-dispersed spontaneously in water. To get reproducible results, we designed appropriate protocols: (i) for preparing the surface state, and for generating controlled interparticle contacts (presence of water or complexing agents); (ii) for measuring the amount of re-dispersed material with a proper averaging over all interparticle bonds (turbidity). These results show that there are thresholds, determined by the conditions of drying and re-dispersion, where all the powder goes from the aggregated state to the dispersed state. With hydrated powders, it was found that mild changes in the chemical conditions (pH) and application of very weak mechanical forces (sedimentation) were enough to cause significant change in re-dispersion. According to these thresholds, a re-dispersion mechanism could be identified. Re-dispersion is ruled, indeed, by a balance of forces and the displacement of the re-dispersion thresholds indicates a shift in the balance of forces. These forces are the well-known forces that control colloidal stability: van der Waals attraction, electrostatic repulsion and hydration forces. We found that hydration acts as a repulsive wall corresponding to one or two monolayers of water on each surface and depends on the Relative Humidity of drying. We also found that electrostatic repulsions at short separations are much weaker than the predictions based on the Poisson Boltzmann equation, but should be modelled according to the triple layer model. Repulsions to be considered are those calculated with the screened charges of the particles. Another aim of this work was to facilitate re-dispersion by using complexing agents that bind to the surfaces and add a steric repulsion We have found that molecules with carboxylic and hydroxyl groups can be efficient in this respect, if they are bound to surfaces before aggregation, if they are not

Charge state distributions from highly charged ions channeled at a metal surface

International Nuclear Information System (INIS)

Folkerts, L.; Meyer, F.W.; Schippers, S.

1994-01-01

The vast majority of the experimental work in the field of multicharged ion-surface interactions, to date, has focused on x-ray and particularly on electron emission. These experiments include measurements of the total electron yield, the emission statistics of the electrons, and, most of all, the electron energy distributions. So far, little attention has been paid to the fate of the multicharged projectile ions after the scattering. To our knowledge, the only measurement of the charge state distribution of the scattered ions is the pioneering experiment of de Zwart et al., who measured the total yield of scattered 1+, 2+, and 3+ ions as a function of the primary charge state q (q = 1--11) for 20 key Ne, Ar, and Kr ions after reflection from a polycrystalline tungsten target. Their main finding is the sudden onset of scattered 3+ ions when inner-shell vacancies are present in the primary particles. This suggests that a certain fraction of the inner-shell vacancies survives the entire collision event, and decays via autoionization on the outgoing path. Since the projectiles scattered in the neutral charge state could not be detected in the experiment of de Zwart et al., they were not able to provide absolute charge state fractions. In our present experiment, we focus on the scattered projectiles, measuring both the final charge state and the total scattering angle with a single 2D position sensitive detector (PSD). This method gives us the number of positive, as well as neutral and negative, scattered ions, thus allowing us to extract absolute charge state fractions. Using a well-prepared single Au(110) crystal and a grazing incidence geometry, we were able to observe surface channeling along the [001] channels

Surface Deformation Observed by InSAR due to Fluid Injection: a Test Study in the Central U.S.

Science.gov (United States)

Deng, F.; Dixon, T. H.

2017-12-01

The central and eastern U.S. has undergone a dramatic increase in seismicity over the past few years. Many of these recent earthquakes were likely induced by human activities, with underground fluid injection for oil and gas extraction being one of the main contributors. Surface deformation caused by fluid injection has been captured by GPS and InSAR observations in several areas. For example, surface uplift of up to 10 cm due to CO2 injection between 2007 and 2011 was measured by InSAR at an enhanced oil recovery site in west Texas. We are using Texas and Oklahoma as test areas to analyze the potential relationship between surface deformation, underground fluid injection and induced earthquakes. C-band SAR data from ENVISAT and Sentinel-1, and L-band SAR data from ALOS and ALOS-2 are used to form decade-long time series. Based on the surface deformation derived from the time series InSAR data, subsurface volume change and volumetric strain in an elastic half space are estimated. Seismic data provided by the USGS are used to analyze the spatial and temporal distribution pattern of earthquakes, and the potential link between surface deformation and induced earthquakes. The trigger mechanism will be combined with forward modeling to predict seismicity and assess related hazard for future study.

Investigation the effects of metallic substrate surfaces due to ion-plasma treatment

International Nuclear Information System (INIS)

Shulaev, V.M.; Taran, V.S.; Timoshenko, A.I.; Gasilin, V.V.

2011-01-01

It has been found correlation between modification effects and duration of ion-plasma cleaning the substrate surface with titanium ions. Experiments were carried out using serial vacuum-arc equipment ''Bulat-6'' at the stationary mode in non-filtered titanium plasma, which contained considerable quantity of evaporated material droplets. The polished cylinder substrates (diameter and height 9,14,20 mm) have been treated. The substrates were manufactured of stainless steel 12X18H10T and non-oxygen copper M00b. The substrates surface roughness after ion-plasma treatment has been investigated with electron microscope JEOL JSM-840 and optic interference non-contact profilograph- profilometer ''Micron-alpha''. According obtained results the surface of copper and stainless steel substrates has been treated to intensive modification, i.e. substrate surface after treatment significantly differs from initial one. During final ion-plasma treatment a number of effects occur: purification from surface oxides is accompanied with metallic surface ''contamination'' by the cathode material macrodroplets, surface micromelting accompanied by roughness increase, the surface layer annealing with noticeable decrease of hardness.

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

Science.gov (United States)

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.

Surface states in the photoionization of high-quality CdSe core/shell nanocrystals.

Science.gov (United States)

Li, Shu; Steigerwald, Michael L; Brus, Louis E

2009-05-26

We use electric force microscopy (EFM) to study single nanocrystal photoionization in two classes of high-quality nanocrystals whose exciton luminescence quantum yields approach unity in solution. The CdSe/CdS/ZnS core/shell nanocrystals do not photoionize, while the CdSe/CdS nanocrystals do show substantial photoionization. This verifies the theoretical prediction that the ZnS shell confines the excited electron within the nanocrystal. Despite the high luminescence quantum yield, photoionization varies substantially among the CdSe/CdS nanocrystals. We have studied the nanocrystal photoionization with both UV (396 nm) and green (532 nm) light, and we have found that the magnitude of the charge due to photoionization per absorbed photon is greater for UV excitation than for green excitation. A fraction of the photoionization occurs directly via a "hot electron" process, using trap states that are either on the particle surface, within the ligand sphere, or within the silicon oxide layer. This must occur without relaxation to the thermalized, lowest-energy, emitting exciton. We discuss the occurrence of hot carrier processes that are common to photoionization, luminescence blinking, and the fast transient optical absorption that is associated with multiple exciton generation MEG studies.

Electrical measurement of the hydration state of the skin surface in vivo.

Science.gov (United States)

Tagami, H

2014-09-01

Healthy skin surface is smooth and soft, because it is covered by the properly hydrated stratum corneum (SC), an extremely thin and soft barrier membrane produced by the underlying normal epidermis. By contrast, the skin surfaces covering pathological lesions exhibit dry and scaly changes and the SC shows poor barrier function. The SC barrier function has been assessed in vivo by instrumentally measuring transepidermal water loss (TEWL). However, there was a lack of any appropriate method for evaluating the hydration state of the skin surface in vivo until 1980 when we reported the feasibility of employing high-frequency conductance or capacitance to evaluate it quickly and accurately. With such measurements, we can assess easily the moisturizing efficacy of various topical agents in vivo as well as the distribution pattern of water in the SC by combining it with a serial tape-stripping procedure of the skin surface. © 2014 The Author BJD © 2014 British Association of Dermatologists.

Surface Andreev Bound States and Odd-Frequency Pairing in Topological Superconductor Junctions

Science.gov (United States)

Tanaka, Yukio; Tamura, Shun

2018-04-01

In this review, we summarize the achievement of the physics of surface Andreev bound states (SABS) up to now. The route of this activity has started from the physics of SABS of unconventional superconductors where the pair potential has a sign change on the Fermi surface. It has been established that SABS can be regarded as a topological edge state with topological invariant defined in the bulk Hamiltonian. On the other hand, SABS accompanies odd-frequency pairing like spin-triplet s-wave or spin-singlet p-wave. In a spin-triplet superconductor junction, induced odd-frequency pairing can penetrate into a diffusive normal metal (DN) attached to the superconductor. It causes so called anomalous proximity effect where the local density of states of quasiparticle in DN has a zero energy peak. When bulk pairing symmetry is spin-triplet px-wave, the anomalous proximity effect becomes prominent and the zero bias voltage conductance is always quantized independent of the resistance in DN and interface. Finally, we show that the present anomalous proximity effect is realized in an artificial topological superconducting system, where a nanowire with spin-orbit coupling and Zeeman field is put on the conventional spin-singlet s-wave superconductor.

Spontaneous recovery of superhydrophobicity on nanotextured surfaces

Science.gov (United States)

Prakash, Suruchi; Xi, Erte; Patel, Amish J.

2016-01-01

Rough or textured hydrophobic surfaces are dubbed “superhydrophobic” due to their numerous desirable properties, such as water repellency and interfacial slip. Superhydrophobicity stems from an aversion of water for the hydrophobic surface texture, so that a water droplet in the superhydrophobic “Cassie state” contacts only the tips of the rough surface. However, superhydrophobicity is remarkably fragile and can break down due to the wetting of the surface texture to yield the “Wenzel state” under various conditions, such as elevated pressures or droplet impact. Moreover, due to large energetic barriers that impede the reverse transition (dewetting), this breakdown in superhydrophobicity is widely believed to be irreversible. Using molecular simulations in conjunction with enhanced sampling techniques, here we show that on surfaces with nanoscale texture, water density fluctuations can lead to a reduction in the free energetic barriers to dewetting by circumventing the classical dewetting pathways. In particular, the fluctuation-mediated dewetting pathway involves a number of transitions between distinct dewetted morphologies, with each transition lowering the resistance to dewetting. Importantly, an understanding of the mechanistic pathways to dewetting and their dependence on pressure allows us to augment the surface texture design, so that the barriers to dewetting are eliminated altogether and the Wenzel state becomes unstable at ambient conditions. Such robust surfaces, which defy classical expectations and can spontaneously recover their superhydrophobicity, could have widespread importance, from underwater operation to phase-change heat transfer applications. PMID:27140619

Surface dependency in thermodynamics of ideal gases

International Nuclear Information System (INIS)

Sisman, Altug

2004-01-01

The Casimir-like size effect rises in ideal gases confined in a finite domain due to the wave character of atoms. By considering this effect, thermodynamic properties of an ideal gas confined in spherical and cylindrical geometries are derived and compared with those in rectangular geometry. It is seen that an ideal gas exhibits an unavoidable quantum surface free energy and surface over volume ratio becomes a control variable on thermodynamic state functions in microscale. Thermodynamics turns into non-extensive thermodynamics and geometry difference becomes a driving force since the surface over volume ratio depends on the geometry

Theory of magnetic transition metal nanoclusters on surfaces

Energy Technology Data Exchange (ETDEWEB)

Lounis, S.

2007-04-17

This thesis is motivated by the quest for the understanding and the exploration of complex magnetism provided by atomic scale magnetic clusters deposited on surfaces or embedded in the bulk. Use is made of the density functional theory (DFT). Acting within this framework, we have developed and implemented the treatment of non-collinear magnetism into the Juelich version of the full-potential Korringa-Kohn-Rostoker Green Function (KKR-GF) method. Firstly, the method was applied to 3d transition-metal clusters on different ferromagnetic surfaces. Different types of magnetic clusters where selected. In order to investigate magnetic frustration due to competing interactions within the ad-cluster we considered a (001) oriented surface of fcc metals, a topology which usually does not lead to non-collinear magnetism. We tuned the strength of the magnetic coupling between the ad-clusters and the ferromagnetic surface by varying the substrate from the case of Ni(001) with a rather weak hybridization of the Ni d-states with the adatom d-states to the case of Fe{sub 3ML}/Cu(001) with a much stronger hybridization due to the larger extend of the Fe wavefunctions. On Ni(001), the interaction between the Cr- as well as the Mn-dimer adatoms is of antiferromagnetic nature, which is in competition with the interaction with the substrate atoms. After performing total energy calculations we find that for Cr-dimer the ground state is collinear whereas the Mn-dimer prefers the non-collinear configuration as ground state. Bigger clusters are found to be magnetically collinear. These calculations were extended to 3d multimers on Fe{sub 3ML}/Cu(001). All neighboring Cr(Mn) moments in the compact tetramer are antiferromagnetically aligned in-plane, with the directions slightly tilted towards (outwards from) the substrate to gain some exchange interaction energy. The second type of frustration was investigated employing a Ni(111) surface, a surface with a triangular lattice of atoms, were

Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell

International Nuclear Information System (INIS)

Arora, Swati; Singh, Vinamrita; Arora, Manoj; Pal Tandon, Ram

2012-01-01

Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10 12 -10 13 cm -2 eV -1 , which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.

Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell

Energy Technology Data Exchange (ETDEWEB)

Arora, Swati, E-mail: drswatia@yahoo.com [Department of Physics, Zakir Husain College, University of Delhi, Delhi 110002 (India); Singh, Vinamrita [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Arora, Manoj [Department of Physics, Ramjas College, University of Delhi, Delhi 110007 (India); Pal Tandon, Ram [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

2012-08-01

Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10{sup 12}-10{sup 13} cm{sup -2} eV{sup -1}, which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.

Inhomogeneous Weyl and Dirac Semimetals: Transport in Axial Magnetic Fields and Fermi Arc Surface States from Pseudo-Landau Levels

Science.gov (United States)

Grushin, Adolfo G.; Venderbos, Jörn W. F.; Vishwanath, Ashvin; Ilan, Roni

2016-10-01

Topological Dirac and Weyl semimetals have an energy spectrum that hosts Weyl nodes appearing in pairs of opposite chirality. Topological stability is ensured when the nodes are separated in momentum space and unique spectral and transport properties follow. In this work, we study the effect of a space-dependent Weyl node separation, which we interpret as an emergent background axial-vector potential, on the electromagnetic response and the energy spectrum of Weyl and Dirac semimetals. This situation can arise in the solid state either from inhomogeneous strain or nonuniform magnetization and can also be engineered in cold atomic systems. Using a semiclassical approach, we show that the resulting axial magnetic field B5 is observable through an enhancement of the conductivity as σ ˜B52 due to an underlying chiral pseudomagnetic effect. We then use two lattice models to analyze the effect of B5 on the spectral properties of topological semimetals. We describe the emergent pseudo-Landau-level structure for different spatial profiles of B5, revealing that (i) the celebrated surface states of Weyl semimetals, the Fermi arcs, can be reinterpreted as n =0 pseudo-Landau levels resulting from a B5 confined to the surface, (ii) as a consequence of position-momentum locking, a bulk B5 creates pseudo-Landau levels interpolating in real space between Fermi arcs at opposite surfaces, and (iii) there are equilibrium bound currents proportional to B5 that average to zero over the sample, which are the analogs of bound currents in magnetic materials. We conclude by discussing how our findings can be probed experimentally.

Influence of structured sidewalls on the wetting states and superhydrophobic stability of surfaces with dual-scale roughness

Energy Technology Data Exchange (ETDEWEB)

Wu, Huaping, E-mail: wuhuaping@gmail.com [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116024 (China); Zhu, Kai; Wu, Bingbing [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Lou, Jia [Piezoelectric Device Laboratory, Department of Mechanics and Engineering Science, Ningbo University, Ningbo, Zhejiang 315211 (China); Zhang, Zheng [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Chai, Guozhong, E-mail: chaigz@zjut.edu.cn [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China)

2016-09-30

Highlights: • Apparent contact angle equation of all wetting states on dual-scale rough surfaces is derived. • Structured sidewalls can improve superhydrophobicity than smooth sidewalls. • Structured sidewalls can enlarge ACA than smooth sidewalls. • Structured sidewalls present an advantage over smooth sidewalls in terms of enhancing superhydrophobic stability. - Abstract: The superhydrophobicity of biological surfaces with dual-scale roughness has recently received considerable attention because of the unique wettability of such surfaces. Based on this, artificial micro/nano hierarchical structures with structured sidewalls and smooth sidewalls were designed and the influences of sidewall configurations (i.e., structured and smooth) on the wetting state of micro/nano hierarchical structures were systematically investigated based on thermodynamics and the principle of minimum free energy. Wetting transition and superhydrophobic stability were then analyzed for a droplet on dual-scale rough surfaces with structured and smooth sidewalls. Theoretical analysis results show that dual-scale rough surfaces with structured sidewalls have a larger “stable superhydrophobic region” than those with smooth sidewalls. The dual-scale rough surfaces with smooth sidewalls can enlarge the apparent contact angle (ACA) without improvement in the superhydrophobic stability. By contrast, dual-scale rough surfaces with structured sidewalls present an advantage over those with smooth sidewalls in terms of enlarging ACA and enhancing superhydrophobic stability. The proposed thermodynamic model is valid when compared with previous experimental data and numerical analysis results, which is helpful for designing and understanding the wetting states and superhydrophobic stability of surfaces with dual-scale roughness.

Surface chemical state of Ti powders and its alloys: Effect of storage conditions and alloy composition

Energy Technology Data Exchange (ETDEWEB)

Hryha, Eduard, E-mail: hryha@chalmers.se [Department of Materials and Manufacturing Technology, Chalmers University of Technology, Rännvägen 2A, SE - 412 96 Gothenburg (Sweden); Shvab, Ruslan [Department of Materials and Manufacturing Technology, Chalmers University of Technology, Rännvägen 2A, SE - 412 96 Gothenburg (Sweden); Bram, Martin; Bitzer, Martin [Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research, Materials Synthesis and Processing (IEK-1), D-52425 Jülich (Germany); Nyborg, Lars [Department of Materials and Manufacturing Technology, Chalmers University of Technology, Rännvägen 2A, SE - 412 96 Gothenburg (Sweden)

2016-12-01

Highlights: • Powder particles of Ti, NiTi and Ti6Al4V are covered by homogeneous Ti-oxide layer. • Thickness of the Ti-oxide layer is in the range of 2.9 to 4.2 nm in as-atomized state. • Exposure to the air results in immediate oxide thickness increase of up to 30%. • Oxide thickness increase of only 15% during storage for 8 years. • High passivation of the Ti, NiTi and Ti6Al4V powder surface by Ti-oxide layer. - Abstract: High affinity of titanium to oxygen in combination with the high surface area of the powder results in tremendous powder reactivity and almost inevitable presence of passivation oxide film on the powder surface. Oxide film is formed during the short exposure of the powder to the environment at even a trace amount of oxygen. Hence, surface state of the powder determines its usefulness for powder metallurgy processing. Present study is focused on the evaluation of the surface oxide state of the Ti, NiTi and Ti6Al4V powders in as-atomized state and after storage under air or Ar for up to eight years. Powder surface oxide state was studied by X-ray photoelectron spectroscopy (XPS) and high resolution scanning electron microscopy (HR SEM). Results indicate that powder in as-atomized state is covered by homogeneous Ti-oxide layer with the thickness of ∼2.9 nm for Ti, ∼3.2 nm and ∼4.2 nm in case of Ti6Al4V and NiTi powders, respectively. Exposure to the air results in oxide growth of about 30% in case of Ti and only about 10% in case of NiTi and Ti6Al4V. After the storage under the dry air for two years oxide growth of only about 3-4% was detected in case of both, Ti and NiTi powders. NiTi powder, stored under the dry air for eight years, indicates oxide thickness of about 5.3 nm, which is about 30% thicker in comparison with the as-atomized powder. Oxide thickness increase of only ∼15% during the storage for eight years in comparison with the powder, shortly exposed to the air after manufacturing, was detected. Results indicate a

Quantum Hall effect on top and bottom surface states of topological insulator (Bi1-xSbx)2Te3 films.

Science.gov (United States)

Yoshimi, R; Tsukazaki, A; Kozuka, Y; Falson, J; Takahashi, K S; Checkelsky, J G; Nagaosa, N; Kawasaki, M; Tokura, Y

2015-04-14

The three-dimensional topological insulator is a novel state of matter characterized by two-dimensional metallic Dirac states on its surface. To verify the topological nature of the surface states, Bi-based chalcogenides such as Bi2Se3, Bi2Te3, Sb2Te3 and their combined/mixed compounds have been intensively studied. Here, we report the realization of the quantum Hall effect on the surface Dirac states in (Bi1-xSbx)2Te3 films. With electrostatic gate-tuning of the Fermi level in the bulk band gap under magnetic fields, the quantum Hall states with filling factor ±1 are resolved. Furthermore, the appearance of a quantum Hall plateau at filling factor zero reflects a pseudo-spin Hall insulator state when the Fermi level is tuned in between the energy levels of the non-degenerate top and bottom surface Dirac points. The observation of the quantum Hall effect in three-dimensional topological insulator films may pave a way toward topological insulator-based electronics.

Robust design optimization method for centrifugal impellers under surface roughness uncertainties due to blade fouling

Science.gov (United States)

Ju, Yaping; Zhang, Chuhua

2016-03-01

Blade fouling has been proved to be a great threat to compressor performance in operating stage. The current researches on fouling-induced performance degradations of centrifugal compressors are based mainly on simplified roughness models without taking into account the realistic factors such as spatial non-uniformity and randomness of the fouling-induced surface roughness. Moreover, little attention has been paid to the robust design optimization of centrifugal compressor impellers with considerations of blade fouling. In this paper, a multi-objective robust design optimization method is developed for centrifugal impellers under surface roughness uncertainties due to blade fouling. A three-dimensional surface roughness map is proposed to describe the nonuniformity and randomness of realistic fouling accumulations on blades. To lower computational cost in robust design optimization, the support vector regression (SVR) metamodel is combined with the Monte Carlo simulation (MCS) method to conduct the uncertainty analysis of fouled impeller performance. The analyzed results show that the critical fouled region associated with impeller performance degradations lies at the leading edge of blade tip. The SVR metamodel has been proved to be an efficient and accurate means in the detection of impeller performance variations caused by roughness uncertainties. After design optimization, the robust optimal design is found to be more efficient and less sensitive to fouling uncertainties while maintaining good impeller performance in the clean condition. This research proposes a systematic design optimization method for centrifugal compressors with considerations of blade fouling, providing a practical guidance to the design of advanced centrifugal compressors.

SURFACE CAST IRON STRENGTHENING USING COMBINED LASER AND ULTRASONIC PROCESSING

Directory of Open Access Journals (Sweden)

O. G. Devojno

2013-01-01

Full Text Available The paper provides an analysis of ultrasonic surface plastic deformation and subsequent laser thermal strengthening of gray cast iron parts in the regime of hardening from a solid state with the purpose to obtain strengthened surface layers of bigger depth and less roughness of the processed surface. Program complex ANSYS 11.0 has been used for calculation of temperature fields induced by laser exposure.  The appropriate regime of laser processing without surface fusion has been selected on the basis of the applied complex. The possibility of displacement in the bottom boundary of α–γ-transformation temperature  for СЧ20 with 900 °С up to 800 °С is confirmed due to preliminary ultrasonic surface plastic deformation of the surface that allows to expand technological opportunities of laser quenching  of gray  cast iron from a solid state. 

Quasiclassical Theory of Spin Dynamics in Superfluid ^3He: Kinetic Equations in the Bulk and Spin Response of Surface Majorana States

Science.gov (United States)

Silaev, M. A.

2018-06-01

We develop a theory based on the formalism of quasiclassical Green's functions to study the spin dynamics in superfluid ^3He. First, we derive kinetic equations for the spin-dependent distribution function in the bulk superfluid reproducing the results obtained earlier without quasiclassical approximation. Then, we consider spin dynamics near the surface of fully gapped ^3He-B-phase taking into account spin relaxation due to the transitions in the spectrum of localized fermionic states. The lifetimes of longitudinal and transverse spin waves are calculated taking into account the Fermi-liquid corrections which lead to a crucial modification of fermionic spectrum and spin responses.

Internal state distributions of molecules scattering and desorbing from surfaces

International Nuclear Information System (INIS)

Auerbach, D.J.

1983-01-01

Attempts are made to interpret scattering experiments of NO molecules on Ag(111) where a (rotational) state-specific detector has been used. A model using an anisotropic potential is proposed to explain the observed incoming energy- and angle dependence. The so-called rotational rainbows are explained. It is concluded, that in this way information on intermolecular potentials and the transfer of translational to rotational energy in the dynamics of trapping and sticking of molecules on surfaces can be extracted. (G.Q.)

Self-Assembled Si(111) Surface States: 2D Dirac Material for THz Plasmonics

Science.gov (United States)

Wang, Z. F.; Liu, Feng

2015-07-01

Graphene, the first discovered 2D Dirac material, has had a profound impact on science and technology. In the last decade, we have witnessed huge advances in graphene related fundamental and applied research. Here, based on first-principles calculations, we propose a new 2D Dirac band on the Si(111) surface with 1 /3 monolayer halogen coverage. The s p3 dangling bonds form a honeycomb superstructure on the Si(111) surface that results in an anisotropic Dirac band with a group velocity (˜106 m /s ) comparable to that in graphene. Most remarkably, the Si-based surface Dirac band can be used to excite a tunable THz plasmon through electron-hole doping. Our results demonstrate a new way to design Dirac states on a traditional semiconductor surface, so as to make them directly compatible with Si technology. We envision this new type of Dirac material to be generalized to other semiconductor surfaces with broad applications.

Self-Assembled Si(111) Surface States: 2D Dirac Material for THz Plasmonics.

Science.gov (United States)

Wang, Z F; Liu, Feng

2015-07-10

Graphene, the first discovered 2D Dirac material, has had a profound impact on science and technology. In the last decade, we have witnessed huge advances in graphene related fundamental and applied research. Here, based on first-principles calculations, we propose a new 2D Dirac band on the Si(111) surface with 1/3 monolayer halogen coverage. The sp(3) dangling bonds form a honeycomb superstructure on the Si(111) surface that results in an anisotropic Dirac band with a group velocity (∼10(6)  m/s) comparable to that in graphene. Most remarkably, the Si-based surface Dirac band can be used to excite a tunable THz plasmon through electron-hole doping. Our results demonstrate a new way to design Dirac states on a traditional semiconductor surface, so as to make them directly compatible with Si technology. We envision this new type of Dirac material to be generalized to other semiconductor surfaces with broad applications.

Localized solid-state amorphization at grain boundaries in a nanocrystalline Al solid solution subjected to surface mechanical attrition

Energy Technology Data Exchange (ETDEWEB)

Wu, X [State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080 (China); Tao, N [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Hong, Y [State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080 (China); Lu, J [LASMIS, University of Technology of Troyes, 10000, Troyes (France); Lu, K [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

2005-11-21

Using high-resolution electron microscopy, localized solid-state amorphization (SSA) was observed in a nanocrystalline (NC) Al solid solution (weight per cent 4.2 Cu, 0.3 Mn, the rest being Al) subjected to a surface mechanical attrition treatment. It was found that the deformation-induced SSA may occur at the grain boundary (GB) where either the high density dislocations or dislocation complexes are present. It is suggested that lattice instability due to elastic distortion within the dislocation core region plays a significant role in the initiation of the localized SSA at defective sites. Meanwhile, the GB of severely deformed NC grains exhibits a continuously varying atomic structure in such a way that while most of the GB is ordered but reveals corrugated configurations, localized amorphization may occur along the same GB.

Enhanced surface modification engineering (H, F, Cl, Br, and NO{sub 2}) of CdS nanowires with and without surface dangling bonds

Energy Technology Data Exchange (ETDEWEB)

Zeng, Yijie; Xing, Huaizhong, E-mail: xinghz@dhu.edu.cn; Lu, Aijiang; Wang, Chunrui; Xu, Xiaofeng [Department of Applied Physics and State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, Donghua University, Ren Min Road 2999, Songjiang District, Shanghai 201620 (China); Huang, Yan; Chen, Xiaoshuang, E-mail: jqwang@ee.ecnu.edu.cn, E-mail: xschen@mail.sitp.ac.cn [National Lab. of Infrared Physics, Shanghai Institute for Technical Physics, Chinese Academy of Science, 500 Yu Tian Road, Shanghai 200083 (China); Wang, Jiqing, E-mail: jqwang@ee.ecnu.edu.cn, E-mail: xschen@mail.sitp.ac.cn [Key Laboratory of Polarized Materials and Devices, East China Normal University, Shanghai 200062 (China)

2015-08-07

Semiconductor nanowires (NWs) can be applied in gas sensing and cell detection, but the sensing mechanism is not clearly understood. In this study, surface modification effect on the electronic properties of CdS NWs for different diameters with several species (H, F, Cl, Br, and NO{sub 2}) is investigated by first principles calculations. The surface dangling bonds and halogen elements are chosen to represent the environment of the surface. Halogen passivation drastically changes the band gaps due to the strong electronegativity and the energy level of halogen atoms. Density of states analysis indicates that valence band maximum (VBM) of halogen-passivated NWs is formed by the p states of halogen atoms, while VBM of H-passivated NWs is originated from Cd 4d and S 3p orbitals. To illustrate that surface modification can be applied in gas sensing, NO{sub 2}-absorbed NWs with different coverage are calculated. Low coverage of NO{sub 2} introduces a deep p-type dopant-like level, while high coverage introduces a shallow n-type dopant-like level into the band structure. The transformation is due to that at low coverage the adsorption is chemical while at high coverage is physical. These findings might promote the understanding of surface modification effect and the sensing mechanism of NWs as gas sensors.

Excited-State N2 Dissociation Pathway on Fe-Functionalized Au.

Science.gov (United States)

Martirez, John Mark P; Carter, Emily A

2017-03-29

Localized surface plasmon resonances (LSPRs) offer the possibility of light-activated chemical catalysis on surfaces of strongly plasmonic metal nanoparticles. This technology relies on lower-barrier bond formation and/or dissociation routes made available through energy transfer following the eventual decay of LSPRs. The coupling between these decay processes and a chemical trajectory (nuclear motion, charge-transfer, intersystem crossing, etc.) dictates the availability of these alternative (possibly lower barrier) excited-state channels. The Haber-Bosch method of NH 3 synthesis from N 2 and H 2 is notoriously energy intensive. This is due to the difficulty of N 2 dissociation despite the overall reaction being thermodynamically favorable at ambient temperatures and pressures. LSPRs may provide means to improve the kinetics of N 2 dissociation via induced resonance electronic excitation. In this work, we calculate, via embedded n-electron valence second-order perturbation theory within the density functional embedding theory, the excited-state potential energy surfaces for dissociation of N 2 on an Fe-doped Au(111) surface. This metal alloy may take advantage simultaneously of the strong LSPR of Au and the catalytic activity of Fe toward N 2 dissociation. We find the ground-state dissociation activation energy to be 4.74 eV/N 2 , with Fe as the active site on the surface. Consecutive resonance energy transfers (RETs) may be accessed due to the availability of many electronically excited states with intermediate energies arising from the metal surface that may couple to states induced by the Fe-dopant and the adsorbate molecule, and crossing between excited states may effectively lower the dissociation barrier to 1.33 eV. Our work illustrates that large energetic barriers, prohibitive toward chemical reaction, may be overcome through multiple RETs facilitating an otherwise difficult chemical process.

Highly Efficient Spin-to-Charge Current Conversion in Strained HgTe Surface States Protected by a HgCdTe Layer

Science.gov (United States)

Noel, P.; Thomas, C.; Fu, Y.; Vila, L.; Haas, B.; Jouneau, P.-H.; Gambarelli, S.; Meunier, T.; Ballet, P.; Attané, J. P.

2018-04-01

We report the observation of spin-to-charge current conversion in strained mercury telluride at room temperature, using spin pumping experiments. We show that a HgCdTe barrier can be used to protect the HgTe from direct contact with the ferromagnet, leading to very high conversion rates, with inverse Edelstein lengths up to 2.0 ±0.5 nm . The influence of the HgTe layer thickness on the conversion efficiency is found to differ strongly from what is expected in spin Hall effect systems. These measurements, associated with the temperature dependence of the resistivity, suggest that these high conversion rates are due to the spin momentum locking property of HgTe surface states.

The influence of the surface parameter changes onto the phonon states in ultrathin crystalline films

Science.gov (United States)

Šetrajčić, Jovan P.; Ilić, Dušan I.; Jaćimovski, Stevo K.

2018-04-01

In this paper, we have analytically investigated how the changes in boundary surface parameters influence the phonon dispersion law in ultrathin films of the simple cubic crystalline structure. Spectra of possible phonon states are analyzed using the method of two-time dependent Green's functions and for the diverse combination of boundary surface parameters, this problem was presented numerically and graphically. It turns out that for certain values and combinations of parameters, displacement of dispersion branches outside of bulk zone occurs, leading to the creation of localized phonon states. This fact is of great importance for the heat removal, electrical conductivity and superconducting properties of ultrathin films.

State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface.

Science.gov (United States)

Li, Anyang; Guo, Hua; Sun, Zhigang; Kłos, Jacek; Alexander, Millard H

2013-10-07

The state-to-state reaction dynamics of the title reaction is investigated on the ground electronic state potential energy surface using two quantum dynamical methods. The results obtained using the Chebyshev real wave packet method are in excellent agreement with those obtained using the time-independent method, except at low translational energies. It is shown that this exothermic hydrogen abstraction reaction is direct, resulting in a strong back-scattered bias in the product angular distribution. The HF product is highly excited internally. Agreement with available experimental data is only qualitative. We discuss several possible causes of disagreement with experiment.

Formation of metastable tetragonal zirconia nanoparticles: Competitive influence of the dopants and surface state

Energy Technology Data Exchange (ETDEWEB)

Gorban, Oksana, E-mail: matscidep@aim.com [Donetsk Institute for Physics and Engineering named after A.A. Galkin of the NAS of Ukraine, Nauki av. 46, Kyiv 03680 (Ukraine); Synyakina, Susanna; Volkova, Galina; Gorban, Sergey; Konstantiova, Tetyana [Donetsk Institute for Physics and Engineering named after A.A. Galkin of the NAS of Ukraine, Nauki av. 46, Kyiv 03680 (Ukraine); Lyubchik, Svetlana, E-mail: s_lyubchik@yahoo.com [REQUIMTE, Universida de Nova de Lisboa, 2829-516 Caparica (Portugal)

2015-12-15

The effect of the surface modification of the nanoparticles of amorphous and crystalline partially stabilized zirconia by fluoride ions on stability of the metastable tetragonal phase was investigated. Based on the DSC, titrimetry and FTIR spectroscopy data it was proven that surface modification of the xerogel resulted from an exchange of the fluoride ions with the basic OH groups. The effect of the powder pre-calcination temperature before modification on the formation of metastable tetragonal phase in partially stabilized zirconia was investigated. It was shown that the main factor of tetragonal zirconia stabilization is the state of nanoparticles surface at pre-crystallization temperatures.

A short-term study of the state of surface water acidification at Semenyih dam

International Nuclear Information System (INIS)

Kantasamy, Nesamalar; Sumari, S.M.; Salam, S.M.; Riniswani Aziz

2007-01-01

A short-term study was done to analyze the state of acidification of surface water at Semenyih Dam. This study is part of a continuous monitoring programme for Malaysia as a participatory country of EANET (Acid Monitoring Network in East Asia). Surface water samples were taken at selected points of the dam from February to December 2005. Temperature, electrical conductivity, pH, alkalinity, acid neutralizing capacity (ANC) as well as concentration of specific ionic species were measured, determined and analysed in this study. Present available sort-term study data indicates Semenyih Dam surface water is currently not undergoing acidification. (author)

DFT study on the galvanic interaction between pyrite (100) and galena (100) surfaces

International Nuclear Information System (INIS)

Ke, Baolin; Li, Yuqiong; Chen, Jianhua; Zhao, Cuihua; Chen, Ye

2016-01-01

Graphical abstract: - Highlights: • Galvanic interaction is weakened with the increase of contact distance. • Electronic transfer mainly occurs on the contact layers. • Galvanic effect enhances nucleophilicity of galena and electrophilicity of pyrite. • Presence of H_2O increases the galvanic interaction. - Abstract: The galvanic interaction between pyrite and galena surface has been investigated using density functional theory (DFT) method. The calculated results show that galvanic interactions between pyrite and galena surface are decreased with the increase of contact distance. The galvanic interactions still occurs even the distance larger than the sum of two atoms radius (≈2.8 Å), and the limit distance of galvanic interaction between galena and pyrite surface is about 10 Å, which is consistent with the quantum tunneling effect. Through Mulliken charge population calculation, it is found that electrons transfer from galena to pyrite. For galena surface, Pb 6s and 6p states lose electrons and S 3p state loses a small amount of electrons, which causes the electron loss of galena. For pyrite surface, Fe 4p state obtains large numbers of electrons, resulting in the decrease of positive charge of Fe atom. However, the 3p state of S atom loses a small numbers of electrons. The reactivity of mineral surface has also been studied by calculating the frontier orbitals of minerals. Results suggest that the highest occupied molecular orbital (HOMO) coefficients of galena are increased whereas those of pyrite are decreased with the enhancing galvanic interaction, indicating that the oxidation of galena surface would be enhanced due to the galvanic interaction. The Fukui indices and dual descriptor values of surface atoms suggest that the nucleophilicity of the galena surface increases, meanwhile, the electrophilicity of pyrite surface increases with the decrease of the contact distance. In addition, the density of states (DOS) of atoms results show that the

Time-dependent inversion of surface subsidence due to dynamic reservoir compaction

NARCIS (Netherlands)

Muntendam-Bos, A.G.; Kroon, I.C.; Fokker, P.A.

2008-01-01

We introduce a novel, time-dependent inversion scheme for resolving temporal reservoir pressure drop from surface subsidence observations (from leveling or GPS data, InSAR, tiltmeter monitoring) in a single procedure. The theory is able to accommodate both the absence of surface subsidence estimates

Tailoring the surface chemical bond states of the NbN films by doping Ag: Achieving hard hydrophobic surface

Energy Technology Data Exchange (ETDEWEB)

Ren, Ping; Zhang, Kan; Du, Suxuan [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Meng, Qingnan [College of Construction Engineering, Jilin University, Changchun, 130026 (China); He, Xin [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Wang, Shuo [Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871 (China); Wen, Mao, E-mail: wenmao225@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Zheng, Weitao, E-mail: WTZheng@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China)

2017-06-15

Highlights: • Intrinsically hydrophilic NbN films can transfer to hydrophobic Nb-Ag-N films by doping Ag atoms into NbN sublattice. • Solute Ag can promote that the hydrophobic Ag{sub 2}O groups formed on the Nb-Ag-N film surface through self-oxidation. • The present work may provide a straightforward approach for the production of robust hydrophobic ceramic surfaces. - Abstract: Robust hydrophobic surfaces based on ceramics capable of withstanding harsh conditions such as abrasion, erosion and high temperature, are required in a broad range of applications. The metal cations with coordinative saturation or low electronegativity are commonly chosen to achieve the intrinsically hydrophobic ceramic by reducing Lewis acidity, and thus the ceramic systems are limited. In this work, we present a different picture that robust hydrophobic surface with high hardness (≥20 GPa) can be fabricated through doping Ag atoms into intrinsically hydrophilic ceramic film NbN by reactive co-sputtering. The transition of wettability from hydrophilic to hydrophobic of Nb-Ag-N films induced by Ag doping results from the appearance of Ag{sub 2}O groups on the films surfaces through self-oxidation, because Ag cations (Ag{sup +}) in Ag{sub 2}O are the filled-shell (4d{sup 10}5S{sup 0}) electronic structure with coordinative saturation that have no tendency to interact with water. The results show that surface Ag{sub 2}O benefited for hydrophobicity comes from the solute Ag atoms rather than precipitate metal Ag, in which the more Ag atoms incorporated into Nb-sublattice are able to further improve the hydrophobicity, whereas the precipitation of Ag nanoclusters would worsen it. The present work opens a window for fabricating robust hydrophobic surface through tailoring surface chemical bond states by doping Ag into transition metal nitrides.

Surface runoff and tile drainage transport of phosphorus in the midwestern United States.

Science.gov (United States)

Smith, Douglas R; King, Kevin W; Johnson, Laura; Francesconi, Wendy; Richards, Pete; Baker, Dave; Sharpley, Andrew N

2015-03-01

The midwestern United States offers some of the most productive agricultural soils in the world. Given the cool humid climate, much of the region would not be able to support agriculture without subsurface (tile) drainage because high water tables may damage crops and prevent machinery usage in fields at critical times. Although drainage is designed to remove excess soil water as quickly as possible, it can also rapidly transport agrochemicals, including phosphorus (P). This paper illustrates the potential importance of tile drainage for P transport throughout the midwestern United States. Surface runoff and tile drainage from fields in the St. Joseph River Watershed in northeastern Indiana have been monitored since 2008. Although the traditional concept of tile drainage has been that it slowly removes soil matrix flow, peak tile discharge occurred at the same time as peak surface runoff, which demonstrates a strong surface connection through macropore flow. On our research fields, 49% of soluble P and 48% of total P losses occurred via tile discharge. Edge-of-field soluble P and total P areal loads often exceeded watershed-scale areal loadings from the Maumee River, the primary source of nutrients to the western basin of Lake Erie, where algal blooms have been a pervasive problem for the last 10 yr. As farmers, researchers, and policymakers search for treatments to reduce P loading to surface waters, the present work demonstrates that treating only surface runoff may not be sufficient to reach the goal of 41% reduction in P loading for the Lake Erie Basin. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

An Assessment of State-of-the-Art Mean Sea Surface and Geoid Models of the Arctic Ocean: Implications for Sea Ice Freeboard Retrieval

Science.gov (United States)

Skourup, Henriette; Farrell, Sinéad Louise; Hendricks, Stefan; Ricker, Robert; Armitage, Thomas W. K.; Ridout, Andy; Andersen, Ole Baltazar; Haas, Christian; Baker, Steven

2017-11-01

State-of-the-art Arctic Ocean mean sea surface (MSS) models and global geoid models (GGMs) are used to support sea ice freeboard estimation from satellite altimeters, as well as in oceanographic studies such as mapping sea level anomalies and mean dynamic ocean topography. However, errors in a given model in the high-frequency domain, primarily due to unresolved gravity features, can result in errors in the estimated along-track freeboard. These errors are exacerbated in areas with a sparse lead distribution in consolidated ice pack conditions. Additionally model errors can impact ocean geostrophic currents, derived from satellite altimeter data, while remaining biases in these models may impact longer-term, multisensor oceanographic time series of sea level change in the Arctic. This study focuses on an assessment of five state-of-the-art Arctic MSS models (UCL13/04 and DTU15/13/10) and a commonly used GGM (EGM2008). We describe errors due to unresolved gravity features, intersatellite biases, and remaining satellite orbit errors, and their impact on the derivation of sea ice freeboard. The latest MSS models, incorporating CryoSat-2 sea surface height measurements, show improved definition of gravity features, such as the Gakkel Ridge. The standard deviation between models ranges 0.03-0.25 m. The impact of remaining MSS/GGM errors on freeboard retrieval can reach several decimeters in parts of the Arctic. While the maximum observed freeboard difference found in the central Arctic was 0.59 m (UCL13 MSS minus EGM2008 GGM), the standard deviation in freeboard differences is 0.03-0.06 m.

Ab-initio investigation of structural, electronic and optical properties BSb compound in bulk and surface (110 states

Directory of Open Access Journals (Sweden)

H A Badehian

2015-07-01

Full Text Available In recent work the structural, electronic and optical properties of BSb compound in bulk and surface (110 states have been studied. Calculations have been performed using Full-Potential Augmented Plane Wave (FP-LAPW method by WIEN2k code in Density Functional Theory (DFT framework. The structural properties of the bulk such as lattice constant, bulk module and elastic constants have been investigated using four different approximations. The band gap energy of the bulk and the (110 surface of BSb were obtained about 1.082 and 0.38 eV respectively. Moreover the surface energy, the work function, the surface relaxation, surface state and the band structure of BSb (110 were investigated using symmetric and stoichiometric 15 layers slabs with the vacuum of 20 Bohr. In addition, the real and imaginary parts of the dielectric function of the bulk and the BSb (110 slab were calculated and compared to each other. Our obtained results have a good agreement with the available results.

Investigations of surface characterization of silicone rubber due to ...

Indian Academy of Sciences (India)

Unknown

†Department of Polymer Technology, Crescent Engineering College, Chennai 600 048, India. Abstract. In the present work, tracking ... Silicone rubber; surface degradation; tracking; WAXD; TG–DTA. 1. Introduction. Power transmission at ... mena in polymer insulators under d.c. voltages. Hence the tracking phenomena ...

Spin texture of the surface state of three-dimensional Dirac material Ca3PbO

Science.gov (United States)

Kariyado, Toshikaze

2015-04-01

The bulk and surface electronic structures of a candidate three-dimensional Dirac material Ca3PbO and its family are discussed especially focusing on the spin texture on the surface states. We first explain the basic features of the bulk band structure of Ca3PbO, such as emergence of Dirac fermions near the Fermi energy, and compare it with the other known three-dimensional Dirac semimetals. Then, the surface bands and spin-texture on them are investigated in detail. It is shown that the surface bands exhibit strong momentum-spin locking, which may be useful in some application for spin manipulation, induced by a combination of the inversion symmetry breaking at the surface and the strong spin-orbit coupling of Pb atoms. The surface band structure and the spin-textures are sensitive to the surface types.

Spin texture of the surface state of three-dimensional Dirac material Ca3PbO

International Nuclear Information System (INIS)

Kariyado, Toshikaze

2015-01-01

The bulk and surface electronic structures of a candidate three-dimensional Dirac material Ca 3 PbO and its family are discussed especially focusing on the spin texture on the surface states. We first explain the basic features of the bulk band structure of Ca 3 PbO, such as emergence of Dirac fermions near the Fermi energy, and compare it with the other known three-dimensional Dirac semimetals. Then, the surface bands and spin-texture on them are investigated in detail. It is shown that the surface bands exhibit strong momentum-spin locking, which may be useful in some application for spin manipulation, induced by a combination of the inversion symmetry breaking at the surface and the strong spin-orbit coupling of Pb atoms. The surface band structure and the spin-textures are sensitive to the surface types. (paper)

Microcanonical rates, gap times, and phase space dividing surfaces

NARCIS (Netherlands)

Ezra, Gregory S.; Waalkens, Holger; Wiggins, Stephen

2009-01-01

The general approach to classical unimolecular reaction rates due to Thiele is revisited in light of recent advances in the phase space formulation of transition state theory for multidimensional systems. Key concepts, such as the phase space dividing surface separating reactants from products, the

Isopleths of surface concentration and surface exposure rate due to a radioactive cloud released from a stack

International Nuclear Information System (INIS)

Kobayashi, Hideo; Yabuta, Hajimu; Katagiri, Hiroshi; Obata, Kazuichi; Kokubu, Morinobu

1982-03-01

Various calculations are made to estimate the distributions of concentration and γ-exposure rate due to a radioactive cloud released from a point source to the atmosphere. In this report, the isopleths of concentration and γ-exposure rate which were calculated are given in graphs to enable rapid prediction of the influence of released radioactive material in the emergency situation. Recently there are facilities which are equipped with a system to display the calculation results on CRT; but such practice is rather rare. By placing the calculated isopleths of reduction scale 1/25000 or 1/50000 on the usual map, any facilities without the CRT system can readily estimate the influence of an accidental release. The graphs of isopleths are given with the release height (11 values of 0 to 200 m at about 20 m intervals) and the atmospheric stability (6 classes) as parameters. Calculations of γ-exposure rates were made using the computer code GAMPUL developed by T. Hayashi and T. Shiraishi. In the calculation of radioactive concentrations and γ-exposure rates, the vertical diffusion depths, σsub(z), exceeding 1000 m are taken to be 1000 m according to the Meteorological Guide for the Safety Analysis of Power Reactor (J.AEC). The comparison between with and without this limitation in σsub(z) is made in the case of downwind axial surface distributions. (author)

Impact of the Topological Surface State on the Thermoelectric Transport in Sb2Te3 Thin Films.

Science.gov (United States)

Hinsche, Nicki F; Zastrow, Sebastian; Gooth, Johannes; Pudewill, Laurens; Zierold, Robert; Rittweger, Florian; Rauch, Tomáš; Henk, Jürgen; Nielsch, Kornelius; Mertig, Ingrid

2015-04-28

Ab initio electronic structure calculations based on density functional theory and tight-binding methods for the thermoelectric properties of p-type Sb2Te3 films are presented. The thickness-dependent electrical conductivity and the thermopower are computed in the diffusive limit of transport based on the Boltzmann equation. Contributions of the bulk and the surface to the transport coefficients are separated, which enables to identify a clear impact of the topological surface state on the thermoelectric properties. When the charge carrier concentration is tuned, a crossover between a surface-state-dominant and a Fuchs-Sondheimer transport regime is achieved. The calculations are corroborated by thermoelectric transport measurements on Sb2Te3 films grown by atomic layer deposition.

Hyper-resistivity and electron thermal conductivity due to destroyed magnetic surfaces in axisymmetric plasma equilibria

Energy Technology Data Exchange (ETDEWEB)

Weening, R. H. [Department of Radiologic Sciences, Thomas Jefferson University, 901 Walnut Street, Philadelphia, Pennsylvania 19107-5233 (United States)

2012-06-15

In order to model the effects of small-scale current-driven magnetic fluctuations in a mean-field theoretical description of a large-scale plasma magnetic field B(x,t), a space and time dependent hyper-resistivity {Lambda}(x,t) can be incorporated into the Ohm's law for the parallel electric field E Dot-Operator B. Using Boozer coordinates, a theoretical method is presented that allows for a determination of the hyper-resistivity {Lambda}({psi}) functional dependence on the toroidal magnetic flux {psi} for arbitrary experimental steady-state Grad-Shafranov axisymmetric plasma equilibria, if values are given for the parallel plasma resistivity {eta}({psi}) and the local distribution of any auxiliary plasma current. Heat transport in regions of plasma magnetic surfaces destroyed by resistive tearing modes can then be modeled by an electron thermal conductivity k{sub e}({psi})=({epsilon}{sub 0}{sup 2}m{sub e}/e{sup 2}){Lambda}({psi}), where e and m{sub e} are the electron charge and mass, respectively, while {epsilon}{sub 0} is the permittivity of free space. An important result obtained for axisymmetric plasma equilibria is that the {psi}{psi}-component of the metric tensor of Boozer coordinates is given by the relation g{sup {psi}{psi}}({psi}){identical_to}{nabla}{psi} Dot-Operator {nabla}{psi}=[{mu}{sub 0}G({psi})][{mu}{sub 0}I({psi})]/{iota}({psi}), with {mu}{sub 0} the permeability of free space, G({psi}) the poloidal current outside a magnetic surface, I({psi}) the toroidal current inside a magnetic surface, and {iota}({psi}) the rotational transform.

STM imaging of electronic waves on the surface of Bi2Te3: topologically protected surface states and hexagonal warping effects

Energy Technology Data Exchange (ETDEWEB)

Alpichshev, Zhanybek; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept.; Analytis, J.G.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept.; Chu, J.-H.; Fisher, I.R.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.; Chen, Y.L.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept.; Shen, Z.X.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.; Fang, A.; /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.; Kapitulnik, A.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.

2010-06-02

Scanning tunneling spectroscopy studies on high-quality Bi{sub 2}Te{sub 3} crystals exhibit perfect correspondence to ARPES data, hence enabling identification of different regimes measured in the local density of states (LDOS). Oscillations of LDOS near a step are analyzed. Within the main part of the surface band oscillations are strongly damped, supporting the hypothesis of topological protec- tion. At higher energies, as the surface band becomes concave, oscillations appear which disperse with a particular wave-vector that may result from an unconventional hexagonal warping term.

Development of a certified reference material for specific surface area of quartz sand

Directory of Open Access Journals (Sweden)

Egor P Sobina

2017-01-01

Full Text Available The paper presents results of conducting research on the development of a certified reference material (CRM for specific surface area of quartz sand, which is practically non-porous and therefore has low specific surface area value ~ 0.8 m2/g. The standard uncertainty due to RM inhomogeneity, the standard uncertainty due to RM instability, as well as the standard uncertainty due to characterization were estimated using the State Primary Standard GET 210‑2014 for Units of Specific Absorption of Gases, Specific Surface Area, Specific Volume, and Pore Size of Solid Substances and Materials. The metrological characteristics of the CRM were determined using a low-temperature gas adsorption method. Krypton was used as an adsorbate to increase measurement accuracy.

Spatial distribution of spin polarization in a channel on the surface of a topological insulator

International Nuclear Information System (INIS)

Zhou Xiaoying; Shao Huaihua; Liu Yiman; Tang Dongsheng; Zhou Guanghui

2012-01-01

We study the spatial distribution of electron spin polarization for a gate-controlled T-shaped channel on the surface of a three-dimensional topological insulator (3D TI). We demonstrate that an energy gap depending on channel geometry parameters is definitely opened due to the spatial confinement. Spin surface locking in momentum space for a uniform wide channel with Hamiltonian linearity in the wavevector is still kept, but it is broken with Hamiltonian nonlinearity in the wavevector, like that for two-dimensional surface states widely studied in the literature. However, the spin surface locking for a T-shaped channel is broken even with Hamiltonian linearity in the wavevector. Interestingly, the magnitude and direction of the in-plane spin polarization are spatially dependent in all regions due to the breaking of translational symmetry of the T-shaped channel system. These interesting findings for an electrically controlled nanostructure based on the 3D TI surface may be testable with the present experimental technique, and may provide further understanding the nature of 3D TI surface states. (paper)

Quantum magnetotransport for the surface states of three-dimensional topological insulators in the presence of a Zeeman field

KAUST Repository

Tahir, Muhammad

2013-05-01

We show that the surface states of magnetic topological insulators realize an activated behavior and Shubnikov de Haas oscillations. Applying an external magnetic field perpendicular to the surface of the topological insulator in the presence of Zeeman interaction, we investigate the opening of a gap at the Dirac point, making the surface Dirac fermions massive, and the effects on the transport properties. Analytical expressions are derived for the collisional conductivity for elastic impurity scattering in the first Born approximation. We also calculate the Hall conductivity using the Kubo formalism. Evidence for a transition from gapless to gapped surface states at n = 0 and activated transport is found from the temperature and magnetic-field dependence of the collisional and Hall conductivities. © Copyright EPLA, 2013.

Effect of surface states of layered double hydroxides on conductive and transport properties of nanocomposite polymer electrolytes

International Nuclear Information System (INIS)

Liao, C.-S.; Ye, W.-B.

2004-01-01

All solid-state poly(ethylene oxide) (PEO) nanocomposite electrolytes were made containing nanoscale fillers of layered double hydroxides (LDHs). Two kinds of LDHs with different surface states were prepared by aqueous co-precipitation method. The LDHs were added into PEO matrix to study the structures, conductivities and ionic transport properties of nanocomposite electrolytes. The structures of LDHs were characterized by infrared spectra, thermogravimetric analysis and wide-angle X-ray diffraction. With enhanced compatibility of LDH sheets by oligo(ethylene oxide) surface modification, the PEO/OMLDH nanocomposite electrolyte exhibits an amorphous morphology and an enhancement of conductivity by three orders of magnitude as compared to pure PEO electrolyte. The lithium ion transference number T Li + of PEO/LDH nanocomposite electrolyte measured with a value of 0.42 is two times higher than the one of pure PEO electrolyte, which can be attributed to the Lewis acid-base interaction between surface states of metal hydroxides and counter anions of lithium salts

Spin polarized electronic states and spin textures at the surface of oxygen-deficient SrTiO3

Science.gov (United States)

Jeschke, Harald O.; Altmeyer, Michaela; Rozenberg, Marcelo; Gabay, Marc; Valenti, Roser

We investigate the electronic structure and spin texture at the (001) surface of SrTiO3 in the presence of oxygen vacancies by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic non-magnetic DFT calculations exhibit Rashba-like spin winding with a characteristic energy scale ~ 10 meV. However, when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ~ 100 meV at the Γ point. This energy scale is comparable to the observations in SARPES experiments performed on the two-dimensional electronic states confined near the (001) surface of SrTiO3. We find the spin polarized state to be the ground state of the system, and while magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. We gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft through grants SFB/TR 49 and FOR 1346.

Modulating the Surface State of SiC to Control Carrier Transport in Graphene/SiC.

Science.gov (United States)

Jia, Yuping; Sun, Xiaojuan; Shi, Zhiming; Jiang, Ke; Liu, Henan; Ben, Jianwei; Li, Dabing

2018-05-28

Silicon carbide (SiC) with epitaxial graphene (EG/SiC) shows a great potential in the applications of electronic and photoelectric devices. The performance of devices is primarily dependent on the interfacial heterojunction between graphene and SiC. Here, the band structure of the EG/SiC heterojunction is experimentally investigated by Kelvin probe force microscopy. The dependence of the barrier height at the EG/SiC heterojunction to the initial surface state of SiC is revealed. Both the barrier height and band bending tendency of the heterojunction can be modulated by controlling the surface state of SiC, leading to the tuned carrier transport behavior at the EG/SiC interface. The barrier height at the EG/SiC(000-1) interface is almost ten times that of the EG/SiC(0001) interface. As a result, the amount of carrier transport at the EG/SiC(000-1) interface is about ten times that of the EG/SiC(0001) interface. These results offer insights into the carrier transport behavior at the EG/SiC heterojunction by controlling the initial surface state of SiC, and this strategy can be extended in all devices with graphene as the top layer. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Rapid Surface Oxidation as a Source of Surface Degradation Factor for Bi 2 Se 3

KAUST Repository

Kong, Desheng

2011-06-28

Bismuth selenide (Bi2Se3) is a topological insulator with metallic surface states (SS) residing in a large bulk bandgap. In experiments, synthesized Bi2Se3 is often heavily n-type doped due to selenium vacancies. Furthermore, it is discovered from experiments on bulk single crystals that Bi2Se3 gets additional n-type doping after exposure to the atmosphere, thereby reducing the relative contribution of SS in total conductivity. In this article, transport measurements on Bi2Se3 nanoribbons provide additional evidence of such environmental doping process. Systematic surface composition analyses by X-ray photoelectron spectroscopy reveal fast formation and continuous growth of native oxide on Bi2Se3 under ambient conditions. In addition to n-type doping at the surface, such surface oxidation is likely the material origin of the degradation of topological SS. Appropriate surface passivation or encapsulation may be required to probe topological SS of Bi2Se3 by transport measurements. © 2011 American Chemical Society.

Spectroscopic studies of organometallic compounds on single crystal metal surfaces: Surface acetylides of silver (110)

Science.gov (United States)

Madix, Robert J.

The nature of compounds formed by the reaction of organic molecules with metal surfaces can be studied with a battery of analytical methods based on both physicals and chemical understanding. In this paper the application of UPS, XPS, LEED and EELS as well as temperature programmed reaction spectroscopy (TPRS) and chemical titration methods to the characterization of surface complexes is discussed. Particular emphasis is given to the reaction of acetylene with a single crystal surface of silver, Ag(110). Previous work has shown that this surface, when clean, is unreactive to hydrocarbons, alcohols and carboxylic acids under ultra high vacuum conditions. Preadsorption of oxygen, however, renders the surface reactive, and a wide variety of organometallic surface compounds can be formed. As expected then, no stable adsorption state and no reaction was observed with clean Ag(110) following room temperature exposure to acetylene. Following exposure at 150 K, however, a weekly bound chemisorption state was observed to desorb at 195 K, indicating a binding energy to the surface of approximately 12 kcal/gmole. Reaction with preadsorbed oxygen gave water formulation upon dosing and produced surface intermediates which yeilded two acetylene desorption states at 195 and 175 K. Heating above 300 K to completely desorb the higher temperature state produced new, well-defined LEED Features due to residual surface carbon which disappeared when the surface was heated above 550 K. Clearly, there were distinc changes in the nature of the absorbed layer at 195, 300 and 550 K. These changes were reflected in XPS. For the weakly chemisorbed acetylene a large C(ls) peak at 285.6 eV with a small, broad, indistinc shoulder at higher binding energy (288.2) was observed. The spectrum of the species following acetylene desorption at 275 K, however, showed the formulation of a large C(ls) peak at 283.6 eV in addition to peaks characteristics of the weakly chemisorbed state. This result

Surface reactivity of mercury on the oxygen-terminated hematite(0001) surface: a first-principle study

Science.gov (United States)

Jung, J. E.; Wilcox, J.

2016-12-01

Hematite (α-Fe2O3) is a common mineral found in Earth's near-surface environment. Due to its nontoxicity, corrosion-resistance, and high thermal stability, α-Fe2O3 has attracted attentions as materials for various applications such as photocatalysts, gas sensors, as well as for the removal of heavy metals. In this study, α-Fe2O3 is chosen for potential mercury (Hg) sorbent in order to remove Hg from coal-fired power plants. Specifically, theoretical approaches using density functional theory (DFT) is used to understand surface reactivity of Hg on oxygen (O) terminated α-Fe2O3(0001) surface. The most probable adsorption sites of Hg, chlorine (Cl), and mercury chloride (HgCl) on the α-Fe2O3 surface are found based on adsorption energy calculations, and the oxidation states of the adsorbates are determined by Bader charge analysis. Additionally, projected density of states (PDOS) analysis characterizes the surface-adsorbate bonding mechanism. The results of adsorption energy calculation proposes that Hg physisorbs to the α-Fe2O3(0001) surface with adsorption energy of -0.278 eV, and the subsequent Bader charge analysis confirms that Hg is slightly oxidized. In addition, Cl introduced to the Hg-adsorbed surface strengthens Hg stability on the α-Fe2O3(0001) surface as evidenced by a shortened Hg-surface equilibrium distance. The PDOS analysis also suggests that Cl enhances the chemical bonding between the surface and the adsorbate, thereby increasing adsorption strength. In summary, α-Fe2O3 has ability to adsorb and oxidize Hg, and this reactivity is enhanced in the presence of Cl.

The influence of the carbonate species on LiNi0.8Co0.15Al0.05O2 surfaces for all-solid-state lithium ion battery performance

Science.gov (United States)

Visbal, Heidy; Fujiki, Satoshi; Aihara, Yuichi; Watanabe, Taku; Park, Youngsin; Doo, Seokgwang

2014-12-01

The influence of selected carbonate species on LiNi0.8Co0.15Al0.05O2 (NCA) surface for all-solid-state lithium-ion battery (ASSB) with a sulfide based solid electrolyte was studied for its electrochemical properties, structural stabilities, and surface characteristics. The rated discharge performance improved with the reduction of the carbonate concentration on the NCA surface due to the decrease of the interface resistance. The species and coordination of the adsorbed carbonates on the NCA surface were analyzed by diffuse reflectance Fourier transformed infrared (DRIFT) spectroscopy. The coordination of the adsorbed carbonate anion was determined based on the degree of splitting of the ν3(CO) stretching vibrations. It is found that the surface carbonate species exists in an unidentate coordination on the surface. They react with the sulfide electrolyte to form an irreversible passivation layer. This layer obstructs the charge transfer process at the cathode/electrolyte interface, and results in the rise of the interface resistance and drop of the rated discharge capability.

Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Cr, Mn, Fe, Co and Ni

Energy Technology Data Exchange (ETDEWEB)

Biesinger, Mark C., E-mail: biesingr@uwo.ca [Surface Science Western, University of Western Ontario, University of Western Ontario Research Park, Room LL31, 999 Collip Circle, London, Ontario, N6G 0J3 (Canada); ACeSSS (Applied Centre for Structural and Synchrotron Studies), University of South Australia, Mawson Lakes, SA 5095 (Australia); Payne, Brad P. [Department of Chemistry, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Grosvenor, Andrew P. [Department of Chemistry, University of Saskatchewan, Saskatoon, Saskatchewan, S7N 5C9 (Canada); Lau, Leo W.M. [Surface Science Western, University of Western Ontario, University of Western Ontario Research Park, Room LL31, 999 Collip Circle, London, Ontario, N6G 0J3 (Canada); Department of Chemistry, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Gerson, Andrea R.; Smart, Roger St.C. [ACeSSS (Applied Centre for Structural and Synchrotron Studies), University of South Australia, Mawson Lakes, SA 5095 (Australia)

2011-01-15

Chemical state X-ray photoelectron spectroscopic analysis of first row transition metals and their oxides and hydroxides is challenging due to the complexity of their 2p spectra resulting from peak asymmetries, complex multiplet splitting, shake-up and plasmon loss structure, and uncertain, overlapping binding energies. Our previous paper [M.C. Biesinger et al., Appl. Surf. Sci. 257 (2010) 887-898.] in which we examined Sc, Ti, V, Cu and Zn species, has shown that all the values of the spectral fitting parameters for each specific species, i.e. binding energy (eV), full wide at half maximum (FWHM) value (eV) for each pass energy, spin-orbit splitting values and asymmetric peak shape fitting parameters, are not all normally provided in the literature and data bases, and are necessary for reproducible, quantitative chemical state analysis. A more consistent, practical and effective approach to curve fitting was developed based on a combination of (1) standard spectra from quality reference samples, (2) a survey of appropriate literature databases and/or a compilation of literature references and (3) specific literature references where fitting procedures are available. This paper extends this approach to the chemical states of Cr, Mn, Fe, Co and Ni metals, and various oxides and hydroxides where intense, complex multiplet splitting in many of the chemical states of these elements poses unique difficulties for chemical state analysis. The curve fitting procedures proposed use the same criteria as proposed previously but with the additional complexity of fitting of multiplet split spectra which has been done based on spectra of numerous reference materials and theoretical XPS modeling of these transition metal species. Binding energies, FWHM values, asymmetric peak shape fitting parameters, multiplet peak separation and peak area percentages are presented. The procedures developed can be utilized to remove uncertainties in the analysis of surface states in nano

Adsorption of CO, CO2, H2, and H2O on titania surfaces with different oxidation states

International Nuclear Information System (INIS)

Raupp, G.B.; Dumesic, J.A.

1985-01-01

The adsorptive properties of titania surfaces with different oxidation states were proved by temperature-programmed desorption (TPD) of CO, H 2 , CO 2 , and H 2 O. Auger electron spectroscopy and X-ray photoelectron spectroscopy revealed that vacuum annealing an oxidized titanium foil at temperatures from 300 to 800 K was an effective means of systematically varying the average surface oxidation state from Ti 4+ to Ti 2+ . Carbon monoxide weakly adsorbed (desorption energy of 44-49 kJ x mol -1 ) in a carbonyl fashion on coordinatively unsaturated cation sites. Titania surfaces were inert with respect to H 2 adsorption and dissociation. Carbon dioxide adsorbed in a linear molecular fashion. Water adsorbed both molecularly and dissociatively. Results are discussed in terms of the role of titania oxidation state in CO hydrogenation over titania-supported metal catalysts. 74 references, 7 figures

Delayed frost growth on jumping-drop superhydrophobic surfaces.

Science.gov (United States)

Boreyko, Jonathan B; Collier, C Patrick

2013-02-26

Self-propelled jumping drops are continuously removed from a condensing superhydrophobic surface to enable a micrometric steady-state drop size. Here, we report that subcooled condensate on a chilled superhydrophobic surface are able to repeatedly jump off the surface before heterogeneous ice nucleation occurs. Frost still forms on the superhydrophobic surface due to ice nucleation at neighboring edge defects, which eventually spreads over the entire surface via an interdrop frost wave. The growth of this interdrop frost front is shown to be up to 3 times slower on the superhydrophobic surface compared to a control hydrophobic surface, due to the jumping-drop effect dynamically minimizing the average drop size and surface coverage of the condensate. A simple scaling model is developed to relate the success and speed of interdrop ice bridging to the drop size distribution. While other reports of condensation frosting on superhydrophobic surfaces have focused exclusively on liquid-solid ice nucleation for isolated drops, these findings reveal that the growth of frost is an interdrop phenomenon that is strongly coupled to the wettability and drop size distribution of the surface. A jumping-drop superhydrophobic condenser minimized frost formation relative to a conventional dropwise condenser in two respects: preventing heterogeneous ice nucleation by continuously removing subcooled condensate, and delaying frost growth by limiting the success of interdrop ice bridge formation.

An Assessment of State-of-the-Art Mean Sea Surface and Geoid Models of the Arctic Ocean: Implications for Sea Ice Freeboard Retrieval

DEFF Research Database (Denmark)

Skourup, Henriette; Farrell, Sinéad Louise; Hendricks, Stefan

2017-01-01

in a given model in the high frequency domain, primarily due to unresolved gravity features, can result in errors in the estimated along-track freeboard. These errors are exacerbated in areas with a sparse lead distribution in consolidated ice pack conditions. Additionally model errors can impact ocean......State-of-the-art Arctic Ocean mean sea surface (MSS) models and global geoid models (GGMs) are used to support sea ice freeboard estimation from satellite altimeters, as well as in oceanographic studies such as mapping sea level anomalies and mean dynamic ocean topography. However, errors...... geostrophic currents, derived from satellite altimeter data, while remaining biases in these models may impact longer-term, multi-sensor oceanographic time-series of sea level change in the Arctic. This study focuses on an assessment of five state-of-the-art Arctic MSS models (UCL13/04, DTU15...

Photoemission spectroscopy of surfaces and adsorbates

International Nuclear Information System (INIS)

Chiang, T.C.; Kaindl, G.; Himpsel, F.J.; Eastman, D.E.

1982-01-01

Core level photoelectron spectroscopy is providing new information concerning the electronic properties of adsorbates and surfaces. Several examples will be discussed, including studies of adsorbed rare gas submonolayers and multilayers as well as clean metal surfaces. For rare gas multilayers adsorbed on metal surfaces, the photoelectrons and Auger electrons exhibit well-resolved increases in kinetic energy with decreasing distance between the excited atom and the substrate, allowing a direct labeling of the layers. These energy shifts are mainly due to the substrate screening effects, and can be described well by an image-charge model. For a Kr/Xe bilayer system prepared by first coating a Pd substrate with a monolayer of Kr and then overcoating with a layer of Xe, a thermally activated layer inversion process is observed when the temperature is raised, with Xe coming in direct contact with the substrate. For rare gas submonolayers adsorbed on the Al(111) surface, coverage-dependent core level shift and work function measurements provide information about the adatom spatial distributions, polarizabilities, and dipole moments for the ground and excited states. We have also studied the 2p core level shifts for a clean Al(001) surface relative to the bulk. The shifts have a large contribution from the initial-state effects

Substrate aggregation due to aerial hyphae during discontinuously mixed solid-state fermentation with Aspergillus oryzae: Experiments and modeling

NARCIS (Netherlands)

Schutyser, M.A.I.; Schutyser, M.A.I.; de Pagter, P.; Weber, F.J.; Briels, Willem J.; Boom, R.M.; Boom, R.M.; Rinzema, A.

2003-01-01

Solid-state fermentation (SSF) is prone to process failure due to channeling caused by evaporative cooling and the formation of an interparticle mycelium network. Mixing is needed to break the mycelium network and to avoid such failure. This study presents the first attempt to quantify and predict

Substrate aggregation due to aerial hyphae during discontinously mixed solid-state fermentation with aspergillus oryzae: experiments and modeling

NARCIS (Netherlands)

Schutyser, M.A.I.; Pagter, de P.; Weber, F.J.; Briels, W.J.; Boom, R.M.; Rinzema, A.

2003-01-01

Solid-state fermentation (SSF) is prone to process failure due to channeling caused by evaporative cooling and the formation of an interparticle mycelium network. Mixing is needed to break the mycelium network and to avoid such failure. This study presents the first attempt to quantify and predict

77 FR 20123 - Proposed Collection of Information: Claims Against the United States for Amounts Due in the Case...

Science.gov (United States)

2012-04-03

... United States for Amounts Due in the Case of a Deceased Creditor AGENCY: Financial Management Service...(c)(2)(A)), the Financial Management Service solicits comments on the collection of information...) ways to minimize the burden of the collection of information on respondents, including through the use...

Three-photon resonances due to autoionizing states in calcium

Energy Technology Data Exchange (ETDEWEB)

Zawadzka, A.; Dygdala, R.S.; Raczynski, A.; Zaremba, J.; Kobus, J. [Instytut Fizyki, Uniwersytet M Kopernika w Toruniu, Torun (Poland)

2002-04-28

In the present study we have investigated three-photon ionization in Ca in which autoionizing states are engaged. The two-photon resonant process (from the Ca ground state 4s{sup 2} {sup 1}S{sub 0}) occurred through or at least in the vicinity of one of the following states: 4s4d {sup 1}D{sub 2}, 4p{sup 2} {sup 3}P{sub 2}, 4s6s {sup 1}S{sub 0}, 4p{sup 2} {sup 1}D{sub 2} and 4p{sup 2} {sup 1}S{sub 0}, with the third photon either reaching the continuum directly or one of the autoionizing states. The three-photon resonant transitions to 3dmp, mf: {sup 1}P{sub 1}, {sup 3}P{sub 1} and {sup 3}D{sub 1} autoionizing states for m up to 21 have been observed. Some of the autoionizing resonances which we have found had not been observed before in a high-resolution one-photon absorption experiment (for J=1) and in multiphoton experiments (for J=3). We have compared the ionization signal as a function of the laser detuning and the laser intensity with theoretical curves obtained within a simple model (three-level atom + one-mode laser field). This gives information about the order of magnitude of the three-photon ionization probability through autoionizing states. (author)

Spectroscopic investigation of oxidized solder surfaces

International Nuclear Information System (INIS)

Song, Jenn-Ming; Chang-Chien, Yu-Chien; Huang, Bo-Chang; Chen, Wei-Ting; Shie, Chi-Rung; Hsu, Chuang-Yao

2011-01-01

Highlights: → UV-visible spectroscopy is successfully used to evaluate the degree of discoloring of solders. → The surface oxides of solders can also be identified by UV-visible absorption spectra. → The discoloration of solder surface can be correlated with optical characterization of oxides. → A strategy against discoloring by alloying was also suggested. - Abstract: For further understanding of the discoloration of solder surfaces due to oxidation during the assembly and operation of electronic devices, UV-vis and X-ray photoelectron spectroscopic analyses were applied to evaluate the degree of discoloring and identify the surface oxides. The decrease in reflectance of the oxidized solder surface is related to SnO whose absorption band is located within the visible region. A trace of P can effectively depress the discoloration of solders under both solid and semi-solid states through the suppression of SnO.

Phase transition detection by surface photo charge effect in liquid crystals

Science.gov (United States)

Ivanov, O.; Petrov, M.; Naradikian, H.; Perez-Diaz, J. L.

2018-05-01

The surface photo charge effect (SPCE) was applied for the first time at structure and phase transitions study of hydrogen bonded in dimer liquid crystals (HBDLCs). Due to the high sensitivity of this method, besides first-order phase transitions, characteristic for the p,n-octyloxibenzoic acids (8OBA), an order transition was definitely detected within the nematic range. We state that the SPCE, arising at the solid-HBDLCs interface due to the double electrical layer, is invariably concomitant with solid surface-liquid interfaces, and indicates that the changes of the characteristics of this layer, under incident optical irradiation, induce surface charge rearrangement and alternating potential difference. A mechanism of induction of the SPCE at the interface of solid surface-anisotropic liquids is proposed. We also indicate that this mechanism can be adapted for solid surface-isotropic liquid interface, including colloids (milk) and fog (aerosols)-condensed medium.

Quantum magnetotransport for the surface states of three-dimensional topological insulators in the presence of a Zeeman field

KAUST Repository

Tahir, Muhammad; Schwingenschlö gl, Udo

2013-01-01

We show that the surface states of magnetic topological insulators realize an activated behavior and Shubnikov de Haas oscillations. Applying an external magnetic field perpendicular to the surface of the topological insulator in the presence

Years of Life Gained Due to Leisure-Time Physical Activity in the United States

Science.gov (United States)

Janssen, Ian; Carson, Valerie; Lee, I-Min; Katzmarzyk, Peter T.; Blair, Steven N.

2013-01-01

Background Physical inactivity is an important modifiable risk factor for non-communicable disease. The degree to which physical activity affects the life expectancy of Americans is unknown. This study estimated the potential years of life gained due to leisure-time physical activity across the adult lifespan in the United States. Methods Data from the National Health and Nutrition Examination Survey (2007–2010), National Health Interview Study mortality linkage (1990–2006), and US Life Tables (2006) were used to estimate and compare life expectancy at each age of adult life for inactive (no moderate-to-vigorous physical activity), somewhat active (some moderate-to-vigorous activity but active (≥500 metabolic equivalent min/week of moderate-to-vigorous activity) adults. Analyses were conducted in 2012. Results Somewhat active and active non-Hispanic white men had a life expectancy at age 20 that was around 2.4 years longer than the inactive men; this life expectancy advantage was 1.2 years at age 80. Similar observations were made in non-Hispanic white women, with a higher life expectancy within the active category of 3.0 years at age 20 and 1.6 years at age 80. In non-Hispanic black women, as many as 5.5 potential years of life were gained due to physical activity. Significant increases in longevity were also observed within somewhat active and active non-Hispanic black men; however, among Hispanics the years of life gained estimates were more variable and not significantly different from 0 years gained. Conclusions Leisure-time physical activity is associated with increases in longevity in the United States. PMID:23253646

The Use of Numerical Modeling to Address Surface and Subsurface Water Contamination due to Fracwater Spills in Larry's Creek, Pennsylvania

Science.gov (United States)

Simon, C. A.; Arjmand, S.; Abad, J. D.

2012-12-01

Because of its relatively low carbon dioxide emissions, natural gas is considered to be more efficient and environmentally friendly than other non-renewable fuels. As a result of this, among other factors, in recent years natural gas has become one of the world's primary energy sources. In the United States, drilling to extract natural gas has substantially increased over the past few years. In the Marcellus Shale, unconventional gas is currently extracted by using two new techniques: horizontal drilling and hydraulic fracturing. Today, fracking fluids which have been applied as part of the hydraulic fracturing process to fracture the shale rock and release the gas, pose a major environmental concern. These fluids are highly contaminated with radionuclides and toxic metals and any exposure of this highly polluted water to surface water or soil could heavily contaminate the media. The area selected for the current study is the Larry's Creek, located in Lycoming County in Pennsylvania. Larry's Creek Watershed was adversely affected by coal and iron mines activities in the 19th century. Though, the water quality in this creek was considered to be good as of 2006. Recently, oil and gas drilling activities have raised concerns about the creek's water quality again. A major environmental hazard is the freshwater contamination by frac/flowback water. Drilling companies are using impoundments on site to keep fracwater, and to store and evaporate flowback water. However, these ponds may fail or leak due to construction problems and/or accidents. Close to Saladasburg, Larry's Creek's stream was observed running rich with clay in October 19, 2011. Historical measurements show very high turbidity during this period which has raised questions about water contamination by the gas industry activities in the upper stream of the watershed. An interstate watershed agency has reported spills in Wolf Run in different drilling sites in the Larry's Creek basin. The focus of this study

Effect of surface stress state on dissolution property of Alloy 690 in simulated primary water condition

International Nuclear Information System (INIS)

Kim, Kyung Mo; Shim, Hee-Sang; Lee, Eun Hee; Seo, Myung Ji; Han, Jung Ho; Hur, Do Haeng

2014-01-01

The dissolution control of nickel is important to reduce the radioactive dose rate and deterioration of fuel performance in the operation of nuclear power plants (PWR). The corrosion properties are affected by the metal surface residual stress introduced in manufacture process such as work hardening. This work studied the effect of surface modification on the release rate of Alloy 690, nickel-base alloy for a steam generator tube, in the test condition of simulated primary water chemistry in PWRs. The surface stress modification was applied by the electro-polishing and shot peening method. Shot peening process was applied using ceramic beads with different intensities through the variation of air pressure. The corrosion release tests performed at 330degC with LiOH 2 ppm and H 3 BO 4 1200 ppm, DH(dissolved hydrogen) 35 cc/kg (STP) and about 20 ppb of DO(dissolved oxygen) condition. The corrosion release rate was evaluated by a gravimetric analysis method and the surface analysed by SEM and optical microscope. The surface residual stress was measured by an X-ray diffractometer, and the distribution of stress state was evaluated by a micro-hardness tester. The metal ion release rate of alloy 690 was evaluated from the influence of the stress state on the metal surface. The oxide property and structure was affected by the residual stress in the oxide layer. (author)

Striped, honeycomb, and twisted moiré patterns in surface adsorption systems with highly degenerate commensurate ground states

Science.gov (United States)

Elder, K. R.; Achim, C. V.; Granato, E.; Ying, S. C.; Ala-Nissila, T.

2017-11-01

Atomistically thin adsorbate layers on surfaces with a lattice mismatch display complex spatial patterns and ordering due to strain-driven self-organization. In this work, a general formalism to model such ultrathin adsorption layers that properly takes into account the competition between strain and adhesion energy of the layers is presented. The model is based on the amplitude expansion of the two-dimensional phase field crystal (PFC) model, which retains atomistic length scales but allows relaxation of the layers at diffusive time scales. The specific systems considered here include cases where both the film and the adsorption potential can have either honeycomb (H) or triangular (T) symmetry. These systems include the so-called (1 ×1 ) , (√{3 }×√{3 }) R 30∘ , (2 ×2 ) , (√{7 }×√{7 }) R 19 .1∘ , and other higher order states that can contain a multitude of degenerate commensurate ground states. The relevant phase diagrams for many combinations of the H and T systems are mapped out as a function of adhesion strength and misfit strain. The coarsening patterns in some of these systems is also examined. The predictions are in good agreement with existing experimental data for selected strained ultrathin adsorption layers.

Surface depression of glass and surface swelling of ceramics induced by ion implantation

International Nuclear Information System (INIS)

Ikeyama, Masami; Saitoh, Kazuo; Nakao, Setsuo; Niwa, Hiroaki; Tanemura, Seita; Miyagawa, Yoshiko; Miyagawa, Souji

1994-01-01

By the measurement of the change of the surface shapes of the glass and ceramics in which ion implantation was performed, it was clarified that glass surface was depressed, and ceramic surface swelled. These depression and swelling changed according to the kinds of ions, energy and the amount to be implanted and the temperature of samples. It became clear that the depression of glass surface was nearly proportional to the range of flight of the implanted ions, and the swelling of ceramic surface showed different state in the silicon nitride with strong covalent bond and the alumina and sapphire with strong ionic bond. For the improvement of the mechanical characteristics of solid materials such as hardness, strength, toughness, wear resistance, oxidation resistance and so on, attention has been paid to the surface reforming by high energy ion implantation at MeV level. The change of shapes of base materials due to ion implantation is not always negligible. The experiment was carried out on sintered silicon nitride and alumina, polished sapphire single crystals and quartz glass. The experimental method and the results are reported. (K.I.)

Unraveling surface and bulk trap states in lead halide perovskite solar cells using impedance spectroscopy

Science.gov (United States)

Han, Changfeng; Wang, Kai; Zhu, Xixiang; Yu, Haomiao; Sun, Xiaojuan; Yang, Qin; Hu, Bin

2018-03-01

Organic-inorganic hybrid perovskites (OIHPs) have been widely recognized as an excellent candidate for next-generation photovoltaic materials because of their highly efficient power conversion. Acquiring a complete understanding of trap states and dielectric properties in OIHP-based solar cells at the steady state is highly desirable in order to further explore and improve their optoelectronic functionalities and properties. We report CH3NH3PbI3-x Cl x -based planar solar cells with a power conversion efficiency (PCE) of 15.8%. The illumination intensity dependence of the current density-voltage (J-V) revealed the presence of trap-assisted recombination at low fluences. Non-destructive ac impedance spectroscopy (ac-IS) was applied to characterize the device at the steady state. The capacitance-voltage (C-V) spectra exhibited some distinct variations at a wide range of ac modulation frequencies with and without photo-excitations. Since the frequency-dependent chemical capacitance ({{C}μ }) is concerned with the surface and bulk related density of states (DOS) in CH3NH3PbI3-x Cl x , we verified this by fitting the corresponding DOS by a Gaussian distribution function. We ascertained that the electronic sub-gap trap states present in the solution processed CH3NH3PbI3-x Cl x and their distribution differs from the surface to the bulk. In fact, we demonstrated that both surfaces that were adjacent to the electron and hole transport layers featured analogous DOS. Despite this, photo- and bias-induced giant dielectric responses (i.e. both real and imaginary parts) were detected. A remarkable reduction of {{C}μ } at higher frequencies (i.e. more than 100 kHz) was ascribed to the effect of dielectric loss in CH3NH3PbI3-x Cl x .

Energy-saving approaches to solid state street lighting

Science.gov (United States)

Vitta, Pranciškus; Stanikūnas, Rytis; Tuzikas, Arūnas; Reklaitis, Ignas; Stonkus, Andrius; Petrulis, Andrius; Vaitkevičius, Henrikas; Žukauskas, Artūras

2011-10-01

We consider the energy-saving potential of solid-state street lighting due to improved visual performance, weather sensitive luminance control and tracking of pedestrians and vehicles. A psychophysical experiment on the measurement of reaction time with a decision making task was performed under mesopic levels of illumination provided by a highpressure sodium (HPS) lamp and different solid-state light sources, such as daylight and warm-white phosphor converted light-emitting diodes (LEDs) and red-green-blue LED clusters. The results of the experiment imply that photopic luminances of road surface provided by solid-state light sources with an optimized spectral power distribution might be up to twice as low as those provided by the HPS lamp. Dynamical correction of road luminance against road surface conditions typical of Lithuanian climate was estimated to save about 20% of energy in comparison with constant-level illumination. The estimated energy savings due to the tracking of pedestrians and vehicles amount at least 25% with the cumulative effect of intelligent control of at least 40%. A solid-state street lighting system with intelligent control was demonstrated using a 300 m long test ground consisting of 10 solid-state street luminaires, a meteorological station and microwave motion sensor network operated via power line communication.

Computational analysis of the effect of surface roughness on the deflection of gold coated silicon micro-cantilevers due to molecular adsorption

Science.gov (United States)

Hayden, Victor

In this work numerical simulations were performed in order to study the effects of surface roughness on the deflection of gold coated silicon cantilevers due to molecular adsorption. The cantilever was modeled using a ball and spring system where the spring constants for the Si-Si, Si-Au, and Au-Au bonds were obtained from first principal calculations. The molecular adsorption process was simulated by elongating the natural bond length at available bonding sites chosen randomly on the cantilever. Increasing the bond length created a surface stress on the cantilever causing it to deflect. In all cases the structure refinement was performed by minimizing the energy of the system using a simulated annealing algorithm and a high quality random number generator called Mersenne Twister. The system studied consisted of a 1 micrometer by 1 micrometer portion of a cantilever of various surface roughnesses with variable boundary condition and was processed in parallel on the ACEnet (Atlantic Computational Excellence Network) cluster. The results have indicated that cantilevers with a rougher gold surface deflected more than those with a smoother surface. The increase in deflection is attributed to an increase in stress raisers in the gold film localized around the surface features. The onset of stress raisers increases the differential stress between the top and bottom surfaces and results in an increase in the deflection of the cantilever.

Study on the state of a surface of compounds of vanadium with light elements

International Nuclear Information System (INIS)

Povstugar, V.I.; Mikhajlova, S.S.; Trapeznikov, V.A.

1976-01-01

Roentgenoelectron study of powderlike compounds of vanadium with light elements (C, N, O, S) was carried out. The study was made in the temperature range of 70-500 deg C. The results were obtained in an electron magnetic spectrometer. Spectra of inner levels O 1S and V 2p and valance bands are presented. The experimental results can be employed for the study of synthesis problems of the given class of compounds. Due to high surface activity the study of catalytic properties of finely dispersed vanadium compounds by roentgenoelectron spectroscopy method gives much information about surface processes

On the effect of image states on resonant neutralization of hydrogen anions near metal surfaces

International Nuclear Information System (INIS)

Chakraborty, Himadri S.; Niederhausen, Thomas; Thumm, Uwe

2005-01-01

We directly assess the role of image state electronic structures on the ion-survival by comparing the resonant charge transfer dynamics of hydrogen anions near Pd(1 1 1), Pd(1 0 0), and Ag(1 1 1) surfaces. Our simulations show that image states that are degenerate with the metal conduction band favor the recapture of electrons by outgoing ions. In sharp contrast, localized image states that occur inside the band gap hinder the recapture process and thus enhance the ion-neutralization probability

Chemical state analysis of oxidation products on steel surface by conversion electron Moessbauer spectrometry

International Nuclear Information System (INIS)

Ujihira, Yusuke; Nomura, Kiyoshi

1978-01-01

The polished NT-70H steel (Fe: 95.97%, C: 0.56%, diameter: 5 cm, thickness: 0.5 cm) was immersed in deionized water or in solutions containing (0.25 -- 0.5) M of chloride, sulfate and nitrate ions. The chemical states of oxidation products of iron on the surface were identified through the analysis of conversion electron Moessbauer spectra (CEMS). CEMS of the steel surface, which had been dipped in deionized water, revealed that γ-FeOOH was formed on the surface. The thickness of γ-FeOOH layer increased with the increase of the duration of dipping. Dissolved oxygen in the solution played an essential role in the oxidation of iron to γ-FeOOH. Oxidation product of iron dipped in the 0.5 M sodium chloride solution was identified as γ-FeOOH. Amorphous paramagnetic iron (III) compound tended to form in the presence of hydrogen peroxide or ammonium ions in the solutions. The increase of alkalinity of the solution up to pH 12 suppressed the oxidation rate and assisted the formation of green rust, which was confirmed by the appearance of the quadrupole splitting peaks of the green rust. In the 0.25 M sodium sulfate solution, oxidation of the steel surface proceeded slowly and the quadrupole splitting peaks of Fe(OH) 2 were seen in the CEMS. The peak intensity of Fe(OH) 2 gradually decreased and that of γ-FeOOH increased by the extension of immersion of steel in the solution. Magnetite (Fe 3 O 4 ) layer was developed beneath the γ-FeOOH layer, when steel was dipped in 0.5 M sodium nitrate solution. However, the peaks of Fe 3 O 4 were not seen on CEMS of steel surface immersed in 0.5 M ammonium nitrate solution. Thus, applying the feasibility of CEMS for the characterization of oxidated compounds of iron on the steel surface formed by the immersion in solutions, the oxidation mechanism of the steel surface was discussed based upon the results of chemical state analyses. (author)

Study of strontium- and magnesium-doped lanthanum gallate solid electrolyte surface by X-ray photoelectron spectroscopy

International Nuclear Information System (INIS)

Datta, Pradyot; Majewski, Peter; Aldinger, Fritz

2008-01-01

The chemical states of the surface of the oxygen ion conducting solid electrolyte La 0.9 Sr 0.1 Ga 0.85 Mg 0.15 O 3-δ (LSGM 1015) as prepared by solid-state synthesis was analyzed by X-ray photoelectron spectroscopy. It was found that adventitious carbon did not interact with any of the constituent elements of LSGM 1015. Ga and La were found to exist in trivalent states. But, due to ionic bombardment presence of Mg could not be detected in the electrolyte surface

Engineering the temporal response of photoconductive photodetectors via selective introduction of surface trap states.

Science.gov (United States)

Konstantatos, Gerasimos; Levina, Larissa; Fischer, Armin; Sargent, Edward H

2008-05-01

Photoconductive photodetectors fabricated using simple solution-processing have recently been shown to exhibit high gains (>1000) and outstanding sensitivities ( D* > 10(13) Jones). One ostensible disadvantage of exploiting photoconductive gain is that the temporal response is limited by the release of carriers from trap states. Here we show that it is possible to introduce specific chemical species onto the surfaces of colloidal quantum dots to produce only a single, desired trap state having a carefully selected lifetime. In this way we demonstrate a device that exhibits an attractive photoconductive gain (>10) combined with a response time ( approximately 25 ms) useful in imaging. We achieve this by preserving a single surface species, lead sulfite, while eliminating lead sulfate and lead carboxylate. In doing so we preserve the outstanding sensitivity of these devices, achieving a specific detectivity of 10(12) Jones in the visible, while generating a temporal response suited to imaging applications.

Volume changes of Vatnajökull ice cap, Iceland, due to surface mass balance, ice flow, and subglacial melting at geothermal areas

DEFF Research Database (Denmark)

Magnússon, Eyjólfur; Björnson, Helgi; Dall, Jørgen

2005-01-01

We present observed changes in the geometry of western Vatnajökull over a period of about ten years which are caused by the surface mass balance, ice flow (both during surges and quiescent periods), and basal melting due to geothermal and volcanic activity. Comparison of two digital elevation...

Accurate adiabatic energy surfaces for the ground and first excited states of He2+

International Nuclear Information System (INIS)

Lee, E.P.F.

1993-01-01

Different factors affecting the accuracy of the computed energy surfaces of the ground and first excited state of He 2 + have been examined, including the choice of the one-and many-particle bases, the configurational space in the MRCI (multi-reference configuration interaction) calculations and other corrections such as the Davidson and the full counterpoise (CP) correction. From basis-variation studies, it was concluded that multi-reference direct-CI calculations (MRDCI) using CASSCF MOs and/or natural orbitals (NOs) from a smaller CISD calculation, gave results close to full CI. The computed dissociation energies, D e , for the ground and first excited state of He 2 + were 2.4670 (2.4659) eV and 17.2 (17.1) cm -1 , respectively, at the highest level [without and with CP correction for basis-set superposition errors (BSSE)] of calculation with an [11s8p3d1f] GTO contraction, in reasonably good agreement with previous calculations, and estimated correct values, where available. It is believed that the computed D e , and the energy surface for the first excited state should be reasonably accurate. However, for the ground state, the effects of multiple f functions and/or functions of higher angular momentum have not been investigated owing to limitation of the available computing resources. This is probably the only weakness is the present study. (Author)

Characterization of structures and surface states of the nanodiamond synthesized by detonation

International Nuclear Information System (INIS)

Zou, Q.; Li, Y.G.; Zou, L.H.; Wang, M.Z.

2009-01-01

Nanodiamond is a relatively new nanomaterial with broad prospects for application. In this paper, a variety of methods were used to analyze comprehensively the structures and the surface states of the nanodiamond synthesized by detonation, for example, X-ray diffraction (XRD) spectroscopy, energy diffraction spectroscopy (EDS), high resolution transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy (Raman) and differential scanning calorimeter (DSC). The results show that, the nanodiamond particles are spherical or elliptical in shape. The average grain size is approximately 5 nm. The surfaces of the nanodiamond contain hydroxy, carbonyl, carboxyl, ether-based resin, and other functional groups. The initial oxidation temperature of the nanodiamond in the air is about 550 deg. C, which is lower than that of the bulk diamond.

Characterization of structures and surface states of the nanodiamond synthesized by detonation

Energy Technology Data Exchange (ETDEWEB)

Zou, Q., E-mail: zq@ysu.edu.cn [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, Hebei (China); Li, Y.G.; Zou, L.H.; Wang, M.Z. [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, Hebei (China)

2009-11-15

Nanodiamond is a relatively new nanomaterial with broad prospects for application. In this paper, a variety of methods were used to analyze comprehensively the structures and the surface states of the nanodiamond synthesized by detonation, for example, X-ray diffraction (XRD) spectroscopy, energy diffraction spectroscopy (EDS), high resolution transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy (Raman) and differential scanning calorimeter (DSC). The results show that, the nanodiamond particles are spherical or elliptical in shape. The average grain size is approximately 5 nm. The surfaces of the nanodiamond contain hydroxy, carbonyl, carboxyl, ether-based resin, and other functional groups. The initial oxidation temperature of the nanodiamond in the air is about 550 deg. C, which is lower than that of the bulk diamond.

Nonlinear AC susceptibility, surface and bulk shielding

Science.gov (United States)

van der Beek, C. J.; Indenbom, M. V.; D'Anna, G.; Benoit, W.

1996-02-01

We calculate the nonlinear AC response of a thin superconducting strip in perpendicular field, shielded by an edge current due to the geometrical barrier. A comparison with the results for infinite samples in parallel field, screened by a surface barrier, and with those for screening by a bulk current in the critical state, shows that the AC response due to a barrier has general features that are independent of geometry, and that are significantly different from those for screening by a bulk current in the critical state. By consequence, the nonlinear (global) AC susceptibility can be used to determine the origin of magnetic irreversibility. A comparison with experiments on a Bi 2Sr 2CaCu 2O 8+δ crystal shows that in this material, the low-frequency AC screening at high temperature is mainly due to the screening by an edge current, and that this is the unique source of the nonlinear magnetic response at temperatures above 40 K.

Reported foodborne outbreaks due to fresh produce in the United States and European Union: trends and causes.

Science.gov (United States)

Callejón, Raquel M; Rodríguez-Naranjo, M Isabel; Ubeda, Cristina; Hornedo-Ortega, Ruth; Garcia-Parrilla, M Carmen; Troncoso, Ana M

2015-01-01

The consumption of fruit and vegetables continues to rise in the United States and European Union due to healthy lifestyle recommendations. Meanwhile, the rate of foodborne illness caused by the consumption of these products remains high in both regions, representing a significant public health and financial issue. This study addresses the occurrence of reported foodborne outbreaks associated with fresh fruits and vegetables consumption in the United States and European Union during the period 2004-2012, where data are available. Special attention is paid to those pathogens responsible for these outbreaks, the mechanisms of contamination, and the fresh produce vehicles involved. Norovirus is shown to be responsible for most of the produce-related outbreaks, followed by Salmonella. Norovirus is mainly linked with the consumption of salad in the United States and of berries in the European Union, as demonstrated by the Multiple Correspondence Analysis (MCA). Salmonella was the leading cause of multistate produce outbreaks in the United States and was the pathogen involved in the majority of sprouts-associated outbreaks. As is reflected in the MCA, the pattern of fresh produce outbreaks differed in the United States and European Union by the type of microorganism and the food vehicle involved.

MHD Convective Flow of Jeffrey Fluid Due to a Curved Stretching Surface with Homogeneous-Heterogeneous Reactions.

Directory of Open Access Journals (Sweden)

Maria Imtiaz

Full Text Available This paper looks at the flow of Jeffrey fluid due to a curved stretching sheet. Effect of homogeneous-heterogeneous reactions is considered. An electrically conducting fluid in the presence of applied magnetic field is considered. Convective boundary conditions model the heat transfer analysis. Transformation method reduces the governing nonlinear partial differential equations into the ordinary differential equations. Convergence of the obtained series solutions is explicitly discussed. Characteristics of sundry parameters on the velocity, temperature and concentration profiles are analyzed by plotting graphs. Computations for pressure, skin friction coefficient and surface heat transfer rate are presented and examined. It is noted that fluid velocity and temperature through curvature parameter are enhanced. Increasing values of Biot number correspond to the enhancement in temperature and Nusselt number.

Characterization of size, surface charge, and agglomeration state of nanoparticle dispersions for toxicological studies

International Nuclear Information System (INIS)

Jiang Jingkun; Oberdoerster, Guenter; Biswas, Pratim

2009-01-01

Characterizing the state of nanoparticles (such as size, surface charge, and degree of agglomeration) in aqueous suspensions and understanding the parameters that affect this state are imperative for toxicity investigations. In this study, the role of important factors such as solution ionic strength, pH, and particle surface chemistry that control nanoparticle dispersion was examined. The size and zeta potential of four TiO 2 and three quantum dot samples dispersed in different solutions (including one physiological medium) were characterized. For 15 nm TiO 2 dispersions, the increase of ionic strength from 0.001 M to 0.1 M led to a 50-fold increase in the hydrodynamic diameter, and the variation of pH resulted in significant change of particle surface charge and the hydrodynamic size. It was shown that both adsorbing multiply charged ions (e.g., pyrophosphate ions) onto the TiO 2 nanoparticle surface and coating quantum dot nanocrystals with polymers (e.g., polyethylene glycol) suppressed agglomeration and stabilized the dispersions. DLVO theory was used to qualitatively understand nanoparticle dispersion stability. A methodology using different ultrasonication techniques (bath and probe) was developed to distinguish agglomerates from aggregates (strong bonds), and to estimate the extent of particle agglomeration. Probe ultrasonication performed better than bath ultrasonication in dispersing TiO 2 agglomerates when the stabilizing agent sodium pyrophosphate was used. Commercially available Degussa P25 and in-house synthesized TiO 2 nanoparticles were used to demonstrate identification of aggregated and agglomerated samples.

Excited-state formation as H+ and He+ ions scatter from metal surfaces

International Nuclear Information System (INIS)

Baird, W.E.; Zivitz, M.; Thomas, E.W.

1975-01-01

Impact of 10-to30KeV H + or He + ions on polycrystalline metal surfaces causes some projectiles to be backscattered in a neutral excited state. These projectiles subsequently radiatively decay, emitting Doppler-broadened spectral lines. By analysis of the spectral shape of these lines, we are able to determine the probability of radiationless deexcitation of the excited backscattered atoms. Quantitative measurements of spectral intensity indicate that less than 1% of all projectiles are backscattered in an excited state. The relative variation of total spectral line intensity with angle of projectile incidence and with projectile primary energy has been successfully predicted using a model which assumes that the probability for excited-state formation is independent of the scattered projectile's energy and direction. The variation in total spectral line intensity with target atomic number is predicted, and the sputtering and excitation of Al under He + impact is briefly examined

Phase contribution of image potential on empty quantum well States in pb islands on the cu(111) surface.

Science.gov (United States)

Yang, M C; Lin, C L; Su, W B; Lin, S P; Lu, S M; Lin, H Y; Chang, C S; Hsu, W K; Tsong, Tien T

2009-05-15

We use scanning tunneling spectroscopy to explore the quantum well states in the Pb islands grown on a Cu(111) surface. Our observation demonstrates that the empty quantum well states, whose energy levels lie beyond 1.2 eV above the Fermi level, are significantly affected by the image potential. As the quantum number increases, the energy separation between adjacent states is shrinking rather than widening, contrary to the prediction for a square potential well. By simply introducing a phase factor to reckon the effect of the image potential, the shrinking behavior of the energy separation can be reasonably explained with the phase accumulation model. The model also reveals that there exists a quantum regime above the Pb surface in which the image potential is vanished. Moreover, the quasi-image-potential state in the tunneling gap is quenched because of the existence of the quantum well states.

Surface Water & Surface Drainage

Data.gov (United States)

Earth Data Analysis Center, University of New Mexico — This data set contains boundaries for all surface water and surface drainage for the state of New Mexico. It is in a vector digital data structure digitized from a...

Quenching of the surface-state-related photoluminescence in Ni-coated ZnO nanowires

Energy Technology Data Exchange (ETDEWEB)

Tang Yang [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 16 East Nan-Hu Road, Open Economic Zone, Changchun 130033 (China); Graduate School of the Chinese Academy of Sciences (China); Zhao Dongxu, E-mail: dxzhao2000@yahoo.com.c [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 16 East Nan-Hu Road, Open Economic Zone, Changchun 130033 (China); Zhang Jiying; Shen Dezhen [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 16 East Nan-Hu Road, Open Economic Zone, Changchun 130033 (China)

2010-11-01

Nickel-coated ZnO nanowires (NWs) were fabricated by electrodepositing Ni particles on ZnO NW arrays. The morphological, magnetic, and photoluminescent properties of the Ni-coated ZnO NWs were investigated. The Ni particles were deposited on the ZnO NWs' surface along its length to form a Ni/ZnO shell-core structure. The Ni-coated ZnO NWs exhibited more isotropic characteristic than the electrodeposited Ni films owing to the isotropic sphere structure of the Ni particles. A strong ultraviolet emission can be obtained from the Ni-coated ZnO NWs, while the green emission related to surface states was quenched by the passivated layer.

Quenching of the surface-state-related photoluminescence in Ni-coated ZnO nanowires

International Nuclear Information System (INIS)

Tang Yang; Zhao Dongxu; Zhang Jiying; Shen Dezhen

2010-01-01

Nickel-coated ZnO nanowires (NWs) were fabricated by electrodepositing Ni particles on ZnO NW arrays. The morphological, magnetic, and photoluminescent properties of the Ni-coated ZnO NWs were investigated. The Ni particles were deposited on the ZnO NWs' surface along its length to form a Ni/ZnO shell-core structure. The Ni-coated ZnO NWs exhibited more isotropic characteristic than the electrodeposited Ni films owing to the isotropic sphere structure of the Ni particles. A strong ultraviolet emission can be obtained from the Ni-coated ZnO NWs, while the green emission related to surface states was quenched by the passivated layer.

Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility.

Science.gov (United States)

Jain, Amber; Herman, Michael F; Ouyang, Wenjun; Subotnik, Joseph E

2015-10-07

We provide an in-depth investigation of transmission coefficients as computed using the augmented-fewest switches surface hopping algorithm in the low energy regime. Empirically, microscopic reversibility is shown to hold approximately. Furthermore, we show that, in some circumstances, including decoherence on top of surface hopping calculations can help recover (as opposed to destroy) oscillations in the transmission coefficient as a function of energy; these oscillations can be studied analytically with semiclassical scattering theory. Finally, in the spirit of transition state theory, we also show that transmission coefficients can be calculated rather accurately starting from the curve crossing point and running trajectories forwards and backwards.

Reliability Evaluation of Bridges Based on Nonprobabilistic Response Surface Limit Method

OpenAIRE

Chen, Xuyong; Chen, Qian; Bian, Xiaoya; Fan, Jianping

2017-01-01

Due to many uncertainties in nonprobabilistic reliability assessment of bridges, the limit state function is generally unknown. The traditional nonprobabilistic response surface method is a lengthy and oscillating iteration process and leads to difficultly solving the nonprobabilistic reliability index. This article proposes a nonprobabilistic response surface limit method based on the interval model. The intention of this method is to solve the upper and lower limits of the nonprobabilistic ...

Land Surface Data Assimilation

Science.gov (United States)

Houser, P. R.

2012-12-01

Information about land surface water, energy and carbon conditions is of critical importance to real-world applications such as agricultural production, water resource management, flood prediction, water supply, weather and climate forecasting, and environmental preservation. While ground-based observational networks are improving, the only practical way to observe these land surface states on continental to global scales is via satellites. Remote sensing can make spatially comprehensive measurements of various components of the terrestrial system, but it cannot provide information on the entire system (e.g. evaporation), and the observations represent only an instant in time. Land surface process models may be used to predict temporal and spatial terrestrial dynamics, but these predictions are often poor, due to model initialization, parameter and forcing, and physics errors. Therefore, an attractive prospect is to combine the strengths of land surface models and observations (and minimize the weaknesses) to provide a superior terrestrial state estimate. This is the goal of land surface data assimilation. Data Assimilation combines observations into a dynamical model, using the model's equations to provide time continuity and coupling between the estimated fields. Land surface data assimilation aims to utilize both our land surface process knowledge, as embodied in a land surface model, and information that can be gained from observations. Both model predictions and observations are imperfect and we wish to use both synergistically to obtain a more accurate result. Moreover, both contain different kinds of information, that when used together, provide an accuracy level that cannot be obtained individually. Model biases can be mitigated using a complementary calibration and parameterization process. Limited point measurements are often used to calibrate the model(s) and validate the assimilation results. This presentation will provide a brief background on land

Three-dimensional stereotactic surface projections of rCBF analysis on the forgetfulness of patients using Mini-Mental State Examination results

International Nuclear Information System (INIS)

Nakatsuka, Hiroki; Matsubara, Ichirou; Ohtani, Haruhiko

2003-01-01

The aim of this single photon emission computed tomography (SPECT) study was to determine the abnormality of the regional cerebral blood flow (rCBF), using a three-dimensional stereotactic surface projection (3D-SSP), in 18 patients referred to the hospital due to forgetfulness. An intergroup comparison, by 3D-SSP analysis, was conducted based on Mini-Mental State Examination (MMSE) results of the total score, time orientation, place orientation, recall, serial sevens and figure copy. In each abnormal group, rCBF was partially decreased in the temporo-parietal cortex, medial temporal structure and posterior cingulate gyrus; these areas with decreased rCBF are similar to the pattern found in Alzheimer's disease. In the abnormal group, at the time of orientation and figure copy, rCBF was decreased in the right parieto-occipital area. (author)

Symmetry conditions of a nodal superconductor for generating robust flat-band Andreev bound states at its dirty surface

Science.gov (United States)

Ikegaya, Satoshi; Kobayashi, Shingo; Asano, Yasuhiro

2018-05-01

We discuss the symmetry property of a nodal superconductor that hosts robust flat-band zero-energy states at its surface under potential disorder. Such robust zero-energy states are known to induce the anomalous proximity effect in a dirty normal metal attached to a superconductor. A recent study has shown that a topological index NZES describes the number of zero-energy states at the dirty surface of a p -wave superconductor. We generalize the theory to clarify the conditions required for a superconductor that enables NZES≠0 . Our results show that NZES≠0 is realized in a topological material that belongs to either the BDI or CII class. We also present two realistic Hamiltonians that result in NZES≠0 .

Health and ecological hazards due to natural radioactivity in soil from mining areas of Nasarawa State, Nigeria.

Science.gov (United States)

Aliyu, Abubakar Sadiq; Ibrahim, Umar; Akpa, Chidozie Timothy; Garba, Nuraddeen Nasiru; Ramli, Ahmad Termizi

2015-01-01

Nasarawa State is located in north central Nigeria and it is known as Nigeria's home of solid minerals. It is endowed with barite, copper, zinc, tantalite and granite. Continuous releases of mining waste and tailings into the biosphere may result in a build-up of radionuclides in air, water and soil. This work therefore aims to measure the activity concentration levels of primordial radionuclides in the soil/sediment samples collected from selected mines of the mining areas of Nasarawa State. The paper also assesses the radiological and radio ecological impacts of mining activities on the residents of mining areas and their environment. The activity concentrations of primordial radionuclides ((226)Ra, (232)Th and (40)K) in the surface soils/sediment samples were determined using sodium iodide-thallium gamma spectroscopy. Seven major mines were considered with 21 samples taken from each of the mines for radiochemistry analysis. The human health hazard assessment was conducted using regulatory methodologies set by the United Nations Scientific Committee on the Effects of Atomic Radiation, while the radio ecological impact assessment was conducted using the ERICA tool v. 1.2. The result shows that the activity concentrations of (40)K in the water ways of the Akiri copper and the Azara barite mines are 60 and 67% higher than the world average value for (40)K, respectively. In all mines, the annual effective dose rates (mSv y(-1)) were less than unity, and a maximum annual gonadal dose of 0.58 mSv y(-1) is received at the Akiri copper mine, which is almost twice the world average value for gonadal dose. The external hazard indices for all the mines were less than unity. Our results also show that mollusc-gastropod, insect larvae, mollusc-bivalve and zooplankton are the freshwater biotas with the highest dose rates ranging from 5 to 7 µGy h(-1). These higher dose rates could be associated with zinc and copper mining at Abuni and Akiri, respectively. The most exposed

Comparisons of predicted steady-state levels in rooms with extended- and local-reaction bounding surfaces

Science.gov (United States)

Hodgson, Murray; Wareing, Andrew

2008-01-01

A combined beam-tracing and transfer-matrix model for predicting steady-state sound-pressure levels in rooms with multilayer bounding surfaces was used to compare the effect of extended- and local-reaction surfaces, and the accuracy of the local-reaction approximation. Three rooms—an office, a corridor and a workshop—with one or more multilayer test surfaces were considered. The test surfaces were a single-glass panel, a double-drywall panel, a carpeted floor, a suspended-acoustical ceiling, a double-steel panel, and glass fibre on a hard backing. Each test surface was modeled as of extended or of local reaction. Sound-pressure levels were predicted and compared to determine the significance of the surface-reaction assumption. The main conclusions were that the difference between modeling a room surface as of extended or of local reaction is not significant when the surface is a single plate or a single layer of material (solid or porous) with a hard backing. The difference is significant when the surface consists of multilayers of solid or porous material and includes a layer of fluid with a large thickness relative to the other layers. The results are partially explained by considering the surface-reflection coefficients at the first-reflection angles.

Surface-related reduction of photoluminescence in GaAs quantum wires and its recovery by new passivation

International Nuclear Information System (INIS)

Shiozaki, Nanako; Anantathanasarn, Sanguan; Sato, Taketomo; Hashizume, Tamotsu; Hasegawa, Hideki

2005-01-01

Etched GaAs quantum wires (QWRs) and selectively grown (SG) QWRs were fabricated, and dependence of their photoluminescence (PL) properties on QWR width (W) and QWR distance to surface (d) were investigated. PL intensity greatly reduced with reduction of W and d, due to non-radiative recombination through surface states. Surface passivation by growing a Si interface control layer (Si-ICL) on group III-terminated surfaces greatly improved PL properties

Secondary Moments due to Prestressing with Different Bond at the Ultimate Limit State

Directory of Open Access Journals (Sweden)

Halvoník Jaroslav

2018-03-01

Full Text Available Secondary effects of prestressing develop in statically indeterminate structures (e.g., continuous beams due to the restraint of deformations imposed by hyperstatic restraints. These effects may significantly influence internal forces and stresses in prestressed structures. Secondary effects are influenced by the redundancy of a structural system, which raises the question of whether they will remain constant after a change in the structural system, e.g., due to the development of plastic hinge(s in a critical cross-section(s or after the development of a kinematic mechanism, or if they will disappear when the structure changes into a sequence of simply supported beams. The paper deals with an investigation of the behavior of continuous post-tensioned beams subjected to an ultimate load with significant secondary effects from prestressing. A total of 6 two-span beams prestressed by tendons with different bonds were tested in a laboratory with a load that changed their structural system into a kinematic mechanism. The internal forces and secondary effects of the prestressing were controlled through measurements of the reactions in all the supports. The results revealed that the secondary effects remained as a permanent part of the action on the experimental beams, even after the development of the kinematic mechanism. The results obtained confirmed that secondary effects should be included in all combinations of actions for verifications of ultimate limit states (ULS.

Secondary Moments due to Prestressing with Different Bond at the Ultimate Limit State

Science.gov (United States)

Halvoník, Jaroslav; Pažma, Peter; Vida, Radoslav

2018-03-01

Secondary effects of prestressing develop in statically indeterminate structures (e.g., continuous beams) due to the restraint of deformations imposed by hyperstatic restraints. These effects may significantly influence internal forces and stresses in prestressed structures. Secondary effects are influenced by the redundancy of a structural system, which raises the question of whether they will remain constant after a change in the structural system, e.g., due to the development of plastic hinge(s) in a critical cross-section(s) or after the development of a kinematic mechanism, or if they will disappear when the structure changes into a sequence of simply supported beams. The paper deals with an investigation of the behavior of continuous post-tensioned beams subjected to an ultimate load with significant secondary effects from prestressing. A total of 6 two-span beams prestressed by tendons with different bonds were tested in a laboratory with a load that changed their structural system into a kinematic mechanism. The internal forces and secondary effects of the prestressing were controlled through measurements of the reactions in all the supports. The results revealed that the secondary effects remained as a permanent part of the action on the experimental beams, even after the development of the kinematic mechanism. The results obtained confirmed that secondary effects should be included in all combinations of actions for verifications of ultimate limit states (ULS).

Stable Weyl points, trivial surface states, and particle-hole compensation in WP2

Science.gov (United States)

Razzoli, E.; Zwartsenberg, B.; Michiardi, M.; Boschini, F.; Day, R. P.; Elfimov, I. S.; Denlinger, J. D.; Süss, V.; Felser, C.; Damascelli, A.

2018-05-01

A possible connection between extremely large magnetoresistance and the presence of Weyl points has garnered much attention in the study of topological semimetals. Exploration of these concepts in transition-metal diphosphides WP2 has been complicated by conflicting experimental reports. Here we combine angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations to disentangle surface and bulk contributions to the ARPES intensity, the superposition of which has plagued the determination of the band structure in WP2. Our results show that while the hole- and electronlike Fermi surface sheets originating from surface states have different areas, the bulk-band structure of WP2 is electron-hole compensated in agreement with DFT. Furthermore, the ARPES band structure is compatible with the presence of at least four temperature-independent Weyl points, confirming the topological nature of WP2 and its stability against lattice distortions.

Single quantum dot tracking reveals the impact of nanoparticle surface on intracellular state.

Science.gov (United States)

Zahid, Mohammad U; Ma, Liang; Lim, Sung Jun; Smith, Andrew M

2018-05-08

Inefficient delivery of macromolecules and nanoparticles to intracellular targets is a major bottleneck in drug delivery, genetic engineering, and molecular imaging. Here we apply live-cell single-quantum-dot imaging and tracking to analyze and classify nanoparticle states after intracellular delivery. By merging trajectory diffusion parameters with brightness measurements, multidimensional analysis reveals distinct and heterogeneous populations that are indistinguishable using single parameters alone. We derive new quantitative metrics of particle loading, cluster distribution, and vesicular release in single cells, and evaluate intracellular nanoparticles with diverse surfaces following osmotic delivery. Surface properties have a major impact on cell uptake, but little impact on the absolute cytoplasmic numbers. A key outcome is that stable zwitterionic surfaces yield uniform cytosolic behavior, ideal for imaging agents. We anticipate that this combination of quantum dots and single-particle tracking can be widely applied to design and optimize next-generation imaging probes, nanoparticle therapeutics, and biologics.

Hydrologic Remote Sensing and Land Surface Data Assimilation.

Science.gov (United States)

Moradkhani, Hamid

2008-05-06

Accurate, reliable and skillful forecasting of key environmental variables such as soil moisture and snow are of paramount importance due to their strong influence on many water resources applications including flood control, agricultural production and effective water resources management which collectively control the behavior of the climate system. Soil moisture is a key state variable in land surface-atmosphere interactions affecting surface energy fluxes, runoff and the radiation balance. Snow processes also have a large influence on land-atmosphere energy exchanges due to snow high albedo, low thermal conductivity and considerable spatial and temporal variability resulting in the dramatic change on surface and ground temperature. Measurement of these two variables is possible through variety of methods using ground-based and remote sensing procedures. Remote sensing, however, holds great promise for soil moisture and snow measurements which have considerable spatial and temporal variability. Merging these measurements with hydrologic model outputs in a systematic and effective way results in an improvement of land surface model prediction. Data Assimilation provides a mechanism to combine these two sources of estimation. Much success has been attained in recent years in using data from passive microwave sensors and assimilating them into the models. This paper provides an overview of the remote sensing measurement techniques for soil moisture and snow data and describes the advances in data assimilation techniques through the ensemble filtering, mainly Ensemble Kalman filter (EnKF) and Particle filter (PF), for improving the model prediction and reducing the uncertainties involved in prediction process. It is believed that PF provides a complete representation of the probability distribution of state variables of interests (according to sequential Bayes law) and could be a strong alternative to EnKF which is subject to some limitations including the linear

Electronic properties of semiconductor surfaces and metal/semiconductor interfaces

Energy Technology Data Exchange (ETDEWEB)

Tallarida, M.

2005-05-15

This thesis reports investigations of the electronic properties of a semiconductor surface (silicon carbide), a reactive metal/semiconductor interface (manganese/silicon) and a non-reactive metal/semiconductor interface (aluminum-magnesium alloy/silicon). The (2 x 1) reconstruction of the 6H-SiC(0001) surface has been obtained by cleaving the sample along the (0001) direction. This reconstruction has not been observed up to now for this compound, and has been compared with those of similar elemental semiconductors of the fourth group of the periodic table. This comparison has been carried out by making use of photoemission spectroscopy, analyzing the core level shifts of both Si 2p and C 1s core levels in terms of charge transfer between atoms of both elements and in different chemical environments. From this comparison, a difference between the reconstruction on the Si-terminated and the C-terminated surface was established, due to the ionic nature of the Si-C bond. The growth of manganese films on Si(111) in the 1-5 ML thickness range has been studied by means of LEED, STM and photoemission spectroscopy. By the complementary use of these surface science techniques, two different phases have been observed for two thickness regimes (<1 ML and >1 ML), which exhibit a different electronic character. The two reconstructions, the (1 x 1)-phase and the ({radical}3 x {radical}3)R30 -phase, are due to silicide formation, as observed in core level spectroscopy. The growth proceeds via island formation in the monolayer regime, while the thicker films show flat layers interrupted by deep holes. On the basis of STM investigations, this growth mode has been attributed to strain due to lattice mismatch between the substrate and the silicide. Co-deposition of Al and Mg onto a Si(111) substrate at low temperature (100K) resulted in the formation of thin alloy films. By varying the relative content of both elements, the thin films exhibited different electronic properties

Solution-Processed Organic and Halide Perovskite Transistors on Hydrophobic Surfaces.

Science.gov (United States)

Ward, Jeremy W; Smith, Hannah L; Zeidell, Andrew; Diemer, Peter J; Baker, Stephen R; Lee, Hyunsu; Payne, Marcia M; Anthony, John E; Guthold, Martin; Jurchescu, Oana D

2017-05-31

Solution-processable electronic devices are highly desirable due to their low cost and compatibility with flexible substrates. However, they are often challenging to fabricate due to the hydrophobic nature of the surfaces of the constituent layers. Here, we use a protein solution to modify the surface properties and to improve the wettability of the fluoropolymer dielectric Cytop. The engineered hydrophilic surface is successfully incorporated in bottom-gate solution-deposited organic field-effect transistors (OFETs) and hybrid organic-inorganic trihalide perovskite field-effect transistors (HTP-FETs) fabricated on flexible substrates. Our analysis of the density of trapping states at the semiconductor-dielectric interface suggests that the increase in the trap density as a result of the chemical treatment is minimal. As a result, the devices exhibit good charge carrier mobilities, near-zero threshold voltages, and low electrical hysteresis.

Nonlinearity of the refractive index due to an excitonic molecule resonance state in CdS

International Nuclear Information System (INIS)

Baumert, R.; Broser, I.; Buschick, K.

1986-01-01

The authors report the observation of an intensity-dependent refractive-index nonlinearity in CdS due to a resonance state where an excitonic molecule is created by induced absorption of light. The refractive index n as a function of the incident laser photon energy E is measured directly by light refraction in thin crystal prisms. A renormalized dielectric function describes the measured n(E) spectra well. This strong refractive-index nonlinearity is well suited to produce an optical bistability and to further strengthen the evidence of CdS to be an important material for laser-induced dynamic gratings

'Memory' and sustention of microdischarges in a steady-state DBD: volume plasma or surface charge?

International Nuclear Information System (INIS)

Akishev, Yuri; Aponin, Gregory; Balakirev, Anton; Grushin, Mikhail; Karalnik, Vladimir; Petryakov, Alexander; Trushkin, Nikolay

2011-01-01

The results of a numerical study on the spatio-temporal behavior of transient microdischarges (MDs) in a steady-state dielectric barrier discharge (DBD) excited by a sinusoidal voltage are presented. MDs have a spatial 'memory'-every subsequent MD appears at exactly the same location occupied by the MD at the preceding half-period (HP). In the majority of cases each MD appears at its location only once during every HP. For such a case, the memory effect is not attributed to the residual surface charge deposited by the preceding MD but determined by the residual MD plasma column shunting the gap right up to the beginning of the next HP. In contrast to good memory in space, each individual MD has a large scatter with time in its appearance within every HP, i.e. there is no 'memory' concerning the phase of an applied voltage. This MD jittering within the period is attributed to the stochastic nature of partial surface breakdowns around the bases of the MD plasma column. Numerical calculations show that surface breakdown provides an MD current splash at every HP. Hence, in the steady-state DBD, the volume plasma is responsible for the existence of MD spatial 'memory' (i.e. where the MD appears), and the deposited surface charge is responsible for MD jittering in time (i.e. when the MD appears).

Numerical evaluation of state boundary surface through rotation of principal stress axes in sand

International Nuclear Information System (INIS)

Sadrnejad, S. A.

2001-01-01

In applying shear stress to saturated soil with arbitrary stress paths, the prediction of the exact value of strains is difficult because of mainly its stress path dependent nature. Rotation of the principal stress axes during shearing of the soil is a feature of stress paths associated with many field loading situations. A proper understanding of the effects of principal stress rotation on soil behavior can be provided if the anisotropy existing prior to stress rotation and induced anisotropy due to plastic flow in soil are clearly understood and modeled. A multi laminate based model for soil is developed and used to compute and present the influence of rotation of principal stress axes on the plastic behavior of soil. This is fulfilled by distributing the effects of boundary condition changes into several predefined sampling orientations at one point and summing the micro-results up as the macro-result. The validity of the presented model examined by comparing numerical and test results showing the mentioned aspect. In this paper, the state boundary surface is numerically obtained by a multi laminate based model capable of predicting the behavior of sand under the influences of rotation of the direction of principal stress axes and induced anisotropy. the predicted numerical results are tally in agreement with experiments