Barrier height inhomogeneity in electrical transport characteristics of InGaN/GaN heterostructure interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roul, Basanta; Central Research Laboratory, Bharat Electronics, Bangalore 560013; Mukundan, Shruti

2015-03-15

We have grown InGaN/GaN heterostructures using plasma-assisted molecular beam epitaxy and studied the temperature dependent electrical transport characteristics. The barrier height (φ{sub b}) and the ideally factor (η) estimated using thermionic emission model were found to be temperature dependent. The conventional Richardson plot of ln(J{sub s}/T{sup 2}) versus 1/kT showed two temperature regions (region-I: 400–500 K and region-II: 200–350 K) and it provides Richardson constants (A{sup ∗}) which are much lower than the theoretical value of GaN. The observed variation in the barrier height and the presence of two temperature regions were attributed to spatial barrier inhomogeneities at the heterojunctionmore » interface and was explained by assuming a double Gaussian distribution of barrier heights with mean barrier height values 1.61 and 1.21 eV with standard deviation (σ{sub s}{sup 2}) of 0.044 and 0.022 V, respectively. The modified Richardson plot of ln(J{sub s}/T{sup 2}) − (q{sup 2}σ{sub s}{sup 2}/2k{sup 2}T{sup 2}) versus 1/kT for two temperature regions gave mean barrier height values as 1.61 eV and 1.22 eV with Richardson constants (A{sup ∗}) values 25.5 Acm{sup −2}K{sup −2} and 43.9 Acm{sup −2}K{sup −2}, respectively, which are very close to the theoretical value. The observed barrier height inhomogeneities were interpreted on the basis of the existence of a double Gaussian distribution of barrier heights at the interface.« less

Effect of inhomogeneous Schottky barrier height of SnO2 nanowires device

NASA Astrophysics Data System (ADS)

Amorim, Cleber A.; Bernardo, Eric P.; Leite, Edson R.; Chiquito, Adenilson J.

2018-05-01

The current–voltage (I–V) characteristics of metal–semiconductor junction (Au–Ni/SnO2/Au–Ni) Schottky barrier in SnO2 nanowires were investigated over a wide temperature range. By using the Schottky–Mott model, the zero bias barrier height Φ B was estimated from I–V characteristics, and it was found to increase with increasing temperature; on the other hand the ideality factor (n) was found to decrease with increasing temperature. The variation in the Schottky barrier and n was attributed to the spatial inhomogeneity of the Schottky barrier height. The experimental I–V characteristics exhibited a Gaussian distribution having mean barrier heights {\\overline{{{Φ }}}}B of 0.30 eV and standard deviation σ s of 60 meV. Additionally, the Richardson modified constant was obtained to be 70 A cm‑2 K‑2, leading to an effective mass of 0.58m 0. Consequently, the temperature dependence of I–V characteristics of the SnO2 nanowire devices can be successfully explained on the Schottky–Mott theory framework taking into account a Gaussian distribution of barrier heights.

Schottky barrier height measurements of Cu/Si(001), Ag/Si(001), and Au/Si(001) interfaces utilizing ballistic electron emission microscopy and ballistic hole emission microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balsano, Robert; Matsubayashi, Akitomo; LaBella, Vincent P., E-mail: vlabella@albany.edu

2013-11-15

The Schottky barrier heights of both n and p doped Cu/Si(001), Ag/Si(001), and Au/Si(001) diodes were measured using ballistic electron emission microscopy and ballistic hole emission microscopy (BHEM), respectively. Measurements using both forward and reverse ballistic electron emission microscopy (BEEM) and (BHEM) injection conditions were performed. The Schottky barrier heights were found by fitting to a linearization of the power law form of the Bell-Kaiser BEEM model. The sum of the n-type and p-type barrier heights are in good agreement with the band gap of silicon and independent of the metal utilized. The Schottky barrier heights are found to bemore » below the region of best fit for the power law form of the BK model, demonstrating its region of validity.« less

In defense of the classical height system

NASA Astrophysics Data System (ADS)

Foroughi, Ismael; Vaníček, Petr; Sheng, Michael; Kingdon, Robert William; Santos, Marcelo C.

2017-11-01

In many European countries, normal heights referred to the quasi-geoid as introduced by Molodenskij in the mid-20th century are preferred to the classical height system that consists of orthometric heights and the geoid as a reference surface for these heights. The rationale for this choice is supposed to be that in the classical height system, neither the geoid, nor the orthometric height can be ever known with centimetre level accuracy because one would need to know the topographical mass density to a level that can never be achieved. The aim of this paper is to question the validity of this rationale. The common way of assessing the congruency of a local geoid model and the orthometric heights is to compare the geoid heights with the difference between orthometric heights provided by leveling and geodetic heights provided by GNSS. On the other hand, testing the congruency of a quasi-geoidal model with normal height a similar procedure is used, except that instead of orthometric heights, normal heights are employed. For the area of Auvergne, France, which is now a more or less standard choice for precise geoid or quasi-geoid testing, only the normal heights are supplied by the Institute Geographic National, the provider of the data. This is clearly the consequence of the European preference for the Molodenskij system. The quality of the height system is to be judged by the congruency of the difference of the geoid/quasi-geoid heights subtracted from the geodetic heights and orthometric/normal heights. To assess the congruency of the classical height system, the Helmert approximation of orthometric heights is typically used as the transformation between normal and Helmert's heights is easily done. However, the evaluation of the differences between Helmert's and the rigorous orthometric heights is somewhat more involved as will be seen from the review in this paper. For the area of interest, the differences between normal and Helmert's heights at the control leveling points range between - 9.5 and 0 cm, differences between Helmert's and the rigorous orthometric heights vary between - 3.6 and 1.1 cm. The local gravimetric geoid model of Auvergne, computed by the Stokes-Helmert technique, is used here to illustrate the accuracy of the classical height system. Results show a very reasonable standard deviation (STD) of 3.2 cm of the differences between geoid values, derived from control leveling points, and gravimetric geoid heights when Helmert's heights are employed and even a smaller STD of 2.9 cm when rigorous orthometric heights are used. A corresponding comparison of a quasi-geoid model, computed by Least-Squares Modification of Stokes method, with normal heights show an STD of 3.4 cm.

Tunneling Flight Time, Chemistry, and Special Relativity.

PubMed

Petersen, Jakob; Pollak, Eli

2017-09-07

Attosecond ionization experiments have not resolved the question "What is the tunneling time?". Different definitions of tunneling time lead to different results. Second, a zero tunneling time for a material particle suggests that the nonrelativistic theory includes speeds greater than the speed of light. Chemical reactions, occurring via tunneling, should then not be considered in terms of a nonrelativistic quantum theory calling into question quantum dynamics computations on tunneling reactions. To answer these questions, we define a new experimentally measurable paradigm, the tunneling flight time, and show that it vanishes for scattering through an Eckart or a square barrier, irrespective of barrier length or height, generalizing the Hartman effect. We explain why this result does not lead to experimental measurement of speeds greater than the speed of light. We show that this tunneling is an incoherent process by comparing a classical Wigner theory with exact quantum mechanical computations.

Temperature dependent current transport of Pd/ZnO nanowire Schottky diodes

NASA Astrophysics Data System (ADS)

Gayen, R. N.; Bhattacharyya, S. R.; Jana, P.

2014-09-01

Zinc oxide (ZnO) nanowire based Schottky barrier diodes are fabricated by depositing Pd metal contact on top of vertically well-aligned ZnO nanowire arrays. A vertical array of ZnO nanowires on indium tin oxide (ITO) coated glass substrates is synthesized by hybrid wet chemical route. Scanning electron microscopy (SEM), x-ray diffraction (XRD) and x-ray photoelectron spectroscopy (XPS) measurement confirm the formation of stoichiometric well-aligned hexagonal (h-ZnO) nanowire arrays with wurtzite structure. Temperature dependent current-voltage (I-V) measurements on palladium-ZnO (Pd/ZnO) nanowire Schottky junctions in the temperature range 303-383 K exhibit excellent rectifying character. From these nonlinear I-V plots, different electrical parameters of diode-like reverse saturation current, barrier height and ideality factor are determined as a function of temperature assuming pure thermionic emission model. The ideality factor is found to decrease while the barrier height increases with the increase in temperature. The series resistance values calculated from Cheung’s functions also show temperature dependency. Such behavior can be attributed to the presence of defects that traps carriers, and barrier height inhomogeneity at the interface of the barrier junction. After barrier height inhomogeneity correction, considering a Gaussian distributed barrier height fluctuation across the Pd/ZnO interface, the estimated values of mean barrier height and modified Richardson constant are more closely matched to the theoretically predicted value for Pd/ZnO Schottky barrier diodes. The variation of density of interface states as a function of interface state energy is also calculated.

Temperature dependence of current-and capacitance-voltage characteristics of an Au/4H-SiC Schottky diode

NASA Astrophysics Data System (ADS)

Gülnahar, Murat

2014-12-01

In this study, the current-voltage (I-V) and capacitance-voltage (C-V) measurements of an Au/4H-SiC Schottky diode are characterized as a function of the temperature in 50-300 K temperature range. The experimental parameters such as ideality factor and apparent barrier height presents to be strongly temperature dependent, that is, the ideality factor increases and the apparent barrier height decreases with decreasing temperature, whereas the barrier height values increase with the temperature for C-V data. Likewise, the Richardson plot deviates at low temperatures. These anomaly behaviors observed for Au/4H-SiC are attributed to Schottky barrier inhomogeneities. The barrier anomaly which relates to interface of Au/4H-SiC is also confirmed by the C-V measurements versus the frequency measured in 300 K and it is interpreted by both Tung's lateral inhomogeneity model and multi-Gaussian distribution approach. The values of the weighting coefficients, standard deviations and mean barrier height are calculated for each distribution region of Au/4H-SiC using the multi-Gaussian distribution approach. In addition, the total effective area of the patches NAe is obtained at separate temperatures and as a result, it is expressed that the low barrier regions influence meaningfully to the current transport at the junction. The homogeneous barrier height value is calculated from the correlation between the ideality factor and barrier height and it is noted that the values of standard deviation from ideality factor versus q/3kT curve are in close agreement with the values obtained from the barrier height versus q/2kT variation. As a result, it can be concluded that the temperature dependent electrical characteristics of Au/4H-SiC can be successfully commented on the basis of the thermionic emission theory with both models.

Quantal Study of the Exchange Reaction for N + N2 using an ab initio Potential Energy Surface

NASA Technical Reports Server (NTRS)

Wang, Dunyou; Stallcop, James R.; Huo, Winifred M.; Dateo, Christopher E.; Schwenke, David W.; Partridge, Harry; Kwak, Dochan (Technical Monitor)

2002-01-01

The N + N2 exchange rate is calculated using a time-dependent quantum dynamics method on a newly determined ab initio potential energy surface (PES) for the ground A" state. This ab initio PES shows a double barrier feature in the interaction region with the barrier height at 47.2 kcal/mol, and a shallow well between these two barriers, with the minimum at 43.7 kcal/mol. A quantum dynamics wave packet calculation has been carried out using the fitted PES to compute the cumulative reaction probability for the exchange reaction of N + N2(J=O). The J - K shift method is then employed to obtain the rate constant for this reaction. The calculated rate constant is compared with experimental data and a recent quasi-classical calculation using a LEPS PES. Significant differences are found between the present and quasiclassical results. The present rate calculation is the first accurate 3D quantal dynamics study for N + N2 reaction system and the ab initio PES reported here is the first such surface for N3.

Explanation of the barrier heights of graphene Schottky contacts by the MIGS-and-electronegativity concept

NASA Astrophysics Data System (ADS)

Mönch, Winfried

2016-09-01

Graphene-semiconductor contacts exhibit rectifying properties and, in this respect, they behave in exactly the same way as a "conventional" metal-semiconductor or Schottky contacts. It will be demonstrated that, as often assumed, the Schottky-Mott rule does not describe the reported barrier heights of graphene-semiconductor contacts. With "conventional" Schottky contacts, the same conclusion was reached already in 1940. The physical reason is that the Schottky-Mott rule considers no interaction between the metal and the semiconductor. The barrier heights of "conventional" Schottky contacts were explained by the continuum of metal-induced gap states (MIGSs), where the differences of the metal and semiconductor electronegativities describe the size and the sign of the intrinsic electric-dipoles at the interfaces. It is demonstrated that the MIGS-and-electronegativity concept unambiguously also explains the experimentally observed barrier heights of graphene Schottky contacts. This conclusion includes also the barrier heights reported for MoS2 Schottky contacts with "conventional" metals as well as with graphene.

Dwell time, Hartman effect and transport properties in a ferromagnetic phosphorene monolayer

NASA Astrophysics Data System (ADS)

Hedayati Kh, Hamed; Faizabadi, Edris

2018-02-01

In this paper, spin-dependent dwell time, spin Hartman effect and spin-dependent conductance were theoretically investigated through a rectangular barrier in the presence of an exchange field by depositing a ferromagnetic insulator on the phosphorene layer in the barrier region. The existence of the spin Hartman effect was shown for all energies (energies lower than barrier height) and all incident angles in phosphorene. We also compared our results of the dwell time in the phosphorene structure with similar research performed on graphene. We reported a significant difference between the tunneling time values of incident quasiparticles with spin-up and spin-down. We found that the barrier was almost transparent for incident quasiparticles with a wide range of incident angles and energies higher than the barrier height in phosphorene. We also found that the maximum spin-dependent transmission probability for energies higher than barrier height does not necessarily occur in the zero incident angle. In addition, we showed that the spin conductance for energies higher (lower) than barrier height fluctuates (decays) in terms of barrier thickness. We discovered that, in contrast to graphene, the Klein paradox does not occur in the normal incident in the phosphorene structure. Furthermore, the results demonstrated the achievement of good total conductance at certain thicknesses of the barrier for energies higher than the barrier height. This study could serve as a basis for investigations of the basic physics of tunneling mechanisms and also for using phosphorene as a spin polarizer in designing nanoelectronic devices.

Dwell time, Hartman effect and transport properties in a ferromagnetic phosphorene monolayer.

PubMed

Hedayati Kh, Hamed; Faizabadi, Edris

2018-02-28

In this paper, spin-dependent dwell time, spin Hartman effect and spin-dependent conductance were theoretically investigated through a rectangular barrier in the presence of an exchange field by depositing a ferromagnetic insulator on the phosphorene layer in the barrier region. The existence of the spin Hartman effect was shown for all energies (energies lower than barrier height) and all incident angles in phosphorene. We also compared our results of the dwell time in the phosphorene structure with similar research performed on graphene. We reported a significant difference between the tunneling time values of incident quasiparticles with spin-up and spin-down. We found that the barrier was almost transparent for incident quasiparticles with a wide range of incident angles and energies higher than the barrier height in phosphorene. We also found that the maximum spin-dependent transmission probability for energies higher than barrier height does not necessarily occur in the zero incident angle. In addition, we showed that the spin conductance for energies higher (lower) than barrier height fluctuates (decays) in terms of barrier thickness. We discovered that, in contrast to graphene, the Klein paradox does not occur in the normal incident in the phosphorene structure. Furthermore, the results demonstrated the achievement of good total conductance at certain thicknesses of the barrier for energies higher than the barrier height. This study could serve as a basis for investigations of the basic physics of tunneling mechanisms and also for using phosphorene as a spin polarizer in designing nanoelectronic devices.

Investigation of significantly high barrier height in Cu/GaN Schottky diode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garg, Manjari, E-mail: meghagarg142@gmail.com; Kumar, Ashutosh; Singh, R.

2016-01-15

Current-voltage (I-V) measurements combined with analytical calculations have been used to explain mechanisms for forward-bias current flow in Copper (Cu) Schottky diodes fabricated on Gallium Nitride (GaN) epitaxial films. An ideality factor of 1.7 was found at room temperature (RT), which indicated deviation from thermionic emission (TE) mechanism for current flow in the Schottky diode. Instead the current transport was better explained using the thermionic field-emission (TFE) mechanism. A high barrier height of 1.19 eV was obtained at room temperature. X-ray photoelectron spectroscopy (XPS) was used to investigate the plausible reason for observing Schottky barrier height (SBH) that is significantlymore » higher than as predicted by the Schottky-Mott model for Cu/GaN diodes. XPS measurements revealed the presence of an ultrathin cuprous oxide (Cu{sub 2}O) layer at the interface between Cu and GaN. With Cu{sub 2}O acting as a degenerate p-type semiconductor with high work function of 5.36 eV, a high barrier height of 1.19 eV is obtained for the Cu/Cu{sub 2}O/GaN Schottky diode. Moreover, the ideality factor and barrier height were found to be temperature dependent, implying spatial inhomogeneity of barrier height at the metal semiconductor interface.« less

Identification of a barrier height threshold where brook trout population genetic diversity, differentiation, and relatedness are affected

Treesearch

Anne Timm; Eric Hallerman; Andy Dolloff; Mark Hudy; Randall Kolka

2016-01-01

The overall goal of the study was to evaluate effects of landscape features, barriers, on Brook Trout Salvelinus fontinalis population genetics and to identify a potential barrier height threshold where genetic diversity was reduced upstream of the barrier and differentiation and relatedness increase. We screened variation at eight...

Effects of Post Annealing on I-V-T Characteristics of (Ni/Au)/Al0.09Ga0.91N Schottky Barrier Diodes

NASA Astrophysics Data System (ADS)

Akkaya, Abdullah; Ayyıldız, Enise

2016-04-01

Post annealing is a simple, effective and suitable method for improving the diode parameters, especially when the used chemically stable substrates like Si, III-N and ternary alloys. In our work, we were applied this method to (Ni/Au)/Al0.09Ga0.91N Schottky Barrier Diodes (SBDs) and investigated by temperature-dependent current-voltage (I-V-T) characteristics at optimum conditions. Optimum annealing temperature was 600°C, which it’s determined with respect to have a highest barrier height value. The temperature-dependent electrical characteristics of the annealed at 600°C (Ni/Au)/Al0.09Ga0.91N SBDs were investigated in the wide temperature range of 95-315K. The diode parameters such as ideality factor (n) and Schottky barrier height (Vb0) were obtained to be strongly temperature dependent. The observed variation in Vb0 and n can be attributed to the spatial barrier inhomogeneities in Schottky barrier height by assuming a triple Gaussian distribution (TGD) of barrier heights (BHs) at 95-145K, 145-230K and 230-315K. The modified Richardson plots and T0 analysis was performed to provide an experimental Richardson constants and bias coefficients of the mean barrier height. Furthermore, the chemical composition of the contacts was examined by the XPS depth profile analysis.

Temperature dependent barrier height and ideality factor of electrodeposited n-CdSe/Cu Schottky barrier diode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mahato, S., E-mail: som.phy.ism@gmail.com; Shiwakoti, N.; Kar, A. K.

2015-06-24

This article reports the measurement of temperature-dependent barrier height and ideality factor of n-CdSe/Cu Schottky barrier diode. The Cadmium Selenide (CdSe) thin films have been deposited by simple electrodeposition technique. The XRD measurements ravels the deposited single phase CdSe films are highly oriented on (002) plane and the average particle size has been calculated to be ~18 nm. From SEM characterization, it is clear that the surface of CdSe thin films are continuous, homogeneous and the film is well adhered to the substrate and consists of fine grains which are irregular in shape and size. Current-Voltage characteristics have been measured atmore » different temperatures in the range (298 K – 353 K). The barrier height and ideality factor are found to be strongly temperature dependent. The inhomogenious barrier height increases and ideality factor decreases with increase in temperature. The expectation value has been calculated and its value is 0.30 eV.« less

Barrier inhomogeneities and electronic transport of Pt contacts to relatively highly doped n-type 4H-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Lingqin, E-mail: lqhuang@jsnu.edu.cn, E-mail: dwang121@dlut.edu.cn; Wang, Dejun, E-mail: lqhuang@jsnu.edu.cn, E-mail: dwang121@dlut.edu.cn

The barrier characteristics of Pt contacts to relatively highly doped (∼1 × 10{sup 18 }cm{sup −3}) 4H-SiC were investigated using current-voltage (I-V) and capacitance-voltage (C-V) measurements in the temperature range of 160–573 K. The barrier height and ideally factor estimated from the I-V characteristics based on the thermionic emission model are abnormally temperature-dependent, which can be explained by assuming the presence of a double Gaussian distribution (GD) of inhomogeneous barrier heights. However, in the low temperature region (160–323 K), the obtained mean barrier height according to GD is lower than the actual mean value from C-V measurement. The values of barrier height determined from themore » thermionic field emission model are well consistent with those from the C-V measurements, which suggest that the current transport process could be modified by electron tunneling at low temperatures.« less

Spatially inhomogeneous barrier height in graphene/MoS2 Schottky junctions

NASA Astrophysics Data System (ADS)

Tomer, Dushyant; Rajput, Shivani; Li, Lian

Graphene interfaced with a semiconductor forms a Schottky junction with rectifying properties. In this study, graphene Schottky junctions are fabricated by transferring CVD monolayer graphene on mechanically exfoliated MoS2 multilayers. The forward bias current-voltage characteristics are measured in the temperature range of 210-300 K. An increase in the zero bias barrier height and decrease in the ideality factor are observed with increasing temperature. Such behavior is attributed to Schottky barrier inhomogeneities possibly due to graphene ripples and ridges at the junction interface as suggested by atomic force microscopy. Assuming a Gaussian distribution of the barrier height, mean barrier of 0.97+/-0.10 eV is found for the graphene MoS2 junction. Our findings provide significant insight on the barrier height inhomogeneities in graphene/two dimensional semiconductor Schottky junctions. U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering Award No. DEFG02-07ER46228.

External electric field effects on Schottky barrier at Gd3N@C80/Au interface

NASA Astrophysics Data System (ADS)

Onishi, Koichi; Nakashima, Fumihiro; Jin, Ge; Eto, Daichi; Hattori, Hayami; Miyoshi, Noriko; Kirimoto, Kenta; Sun, Yong

2017-08-01

The effects of the external electric field on the height of the Schottky barrier at the Gd3N@C80/Au interface were studied by measuring current-voltage characteristics at various temperatures from 200 K to 450 K. The Gd3N@C80 sample with the conduction/forbidden/valence energy band structure had a face-centered cubic crystal structure with the average grain size of several nanometers. The height of the Gd3N@C80/Au Schottky barrier was confirmed to be 400 meV at a low electric field at room temperature. Moreover, the height decreases with the increasing external electric field through a change of permittivity in the Gd3N@C80 sample due to a polarization of the [Gd3] 9 +-[N3 -+("separators="|C80 ) 6 -] dipoles in the Gd3N@C80 molecule. The field-dependence of the barrier height can be described using a power math function of the electric field strength. The results of the field-dependent barrier height indicate that the reduction in the Schottky barrier is due to an image force effect of the transport charge carrier at the Gd3N@C80/Au interface.

Trajectory-based understanding of the quantum-classical transition for barrier scattering

NASA Astrophysics Data System (ADS)

Chou, Chia-Chun

2018-06-01

The quantum-classical transition of wave packet barrier scattering is investigated using a hydrodynamic description in the framework of a nonlinear Schrödinger equation. The nonlinear equation provides a continuous description for the quantum-classical transition of physical systems by introducing a degree of quantumness. Based on the transition equation, the transition trajectory formalism is developed to establish the connection between classical and quantum trajectories. The quantum-classical transition is then analyzed for the scattering of a Gaussian wave packet from an Eckart barrier and the decay of a metastable state. Computational results for the evolution of the wave packet and the transmission probabilities indicate that classical results are recovered when the degree of quantumness tends to zero. Classical trajectories are in excellent agreement with the transition trajectories in the classical limit, except in some regions where transition trajectories cannot cross because of the single-valuedness of the transition wave function. As the computational results demonstrate, the process that the Planck constant tends to zero is equivalent to the gradual removal of quantum effects originating from the quantum potential. This study provides an insightful trajectory interpretation for the quantum-classical transition of wave packet barrier scattering.

Effects of changes in effective rail height on barrier performance. Volume 1, Research report

DOT National Transportation Integrated Search

1987-04-01

The objective of this project was to determine the critical rail mounting heights to prevent underride and override for traffic barriers. W-beam guardrails, which are the most commonly specified barrier in the U. S., were used to develop criteria for...

Structural Consequences of Hydrogen Intercalation of Epitaxial Graphene on SiC(0001)

DTIC Science & Technology

2014-10-23

in barrier height at the graphene –silicon carbide Schottky junction,” Nat. Commun. 4, 2752 (2013). 31H. Yang, J. Heo, S. Park, H. J. Song, D. H. Seo, K...displacement. The shift of the Dirac point defines the Schottky barrier height and will determine the practicality of employing the wide-bandgap...are thought to critically influence technologi- cally relevant properties such as Dirac point shift and Schottky barrier height . Furthermore, this

Self-organization and forcing templates in coastal barrier response to storms

NASA Astrophysics Data System (ADS)

Lazarus, E.

2015-12-01

When a storm event pushes water up and over a coastal barrier, cross-shore flow transports sediment from the barrier face to the back-barrier environment. This natural physical process is called "overwash", and "washover" is the sedimentary deposit it forms. Overwash and washover support critical coastal habitats, and enable barriers to maintain their height and width relative to rising sea level. On developed barrier coasts, overwash constitutes a natural hazard, which sea-level rise will exacerbate. Overwash is also a prerequisite for barrier breaching and coastal flooding. Predicting occurrence and characteristics of overwash and washover has significant societal value. Hazard models typically assume that pre-storm barrier morphology determines how the barrier changes during a storm. However, classic work has documented the absence of a relationship between pre/post-storm topography in some cases, and has also identified rhythmic patterns in washover alongshore. Previous explanations for these spatial patterns have looked to forcing templates, forms that get imprinted in the barrier shape. An alternative explanation is that washover patterns self-organize, emerging from feedbacks between water flow and sediment transport. Self-organization and forcing templates are often framed as mutually exclusive, but patterns likely form across a continuum of conditions. Here, I use data from a new physical experiment to suggest that spatial patterns in washover can self-organize within the limit of a forcing template of some critical "strength", beyond which pre/post-storm morphologies are highly correlated. Quantifying spatial patterns in washover deposits opens exciting questions regarding coastal morphodynamic response to storms. Measurement of relative template strength over extended spatial (and temporal) scales has the potential to improve hazard assessment and prediction, particularly where template strength is low and self-organization dominates barrier change.

Control of tunnel barriers in multi-wall carbon nanotubes using focused ion beam irradiation

NASA Astrophysics Data System (ADS)

Tomizawa, H.; Suzuki, K.; Yamaguchi, T.; Akita, S.; Ishibashi, K.

2017-04-01

We have formed tunnel barriers in individual multi-wall carbon nanotubes using the Ga focused ion beam irradiation. The barrier height was estimated by the temperature dependence of the current (Arrhenius plot) and the current-voltage curves (Fowler-Nordheim plot). It is shown that the barrier height has a strong correlation with the barrier resistance that is controlled by the dose. Possible origins for the variation in observed barrier characteristics are discussed. Finally, the single electron transistor with two barriers is demonstrated.

The determination of modified barrier heights in Ti/GaN nano-Schottky diodes at high temperature.

PubMed

Lee, Seung-Yong; Kim, Tae-Hong; Chol, Nam-Kyu; Seong, Han-Kyu; Choi, Heon-Jin; Ahn, Byung-Guk; Lee, Sang-Kwon

2008-10-01

We have investigated the size-effect of the nano-Schottky diodes on the electrical transport properties and the temperature-dependent current transport mechanism in a metal-semiconductor nanowire junction (a Ti/GaN nano-Schottky diode) using current-voltage characterization in the range of 300-423 K. We found that the modified mean Schottky barrier height (SBH) was approximately 0.7 eV with a standard deviation of approximately 0.14 V using a Gaussian distribution model of the barrier heights. The slightly high value of the modified mean SBH (approximately 0.11 eV) compared to the results from the thin-film based Ti/GaN Schottky diodes could be due to an additional oxide layer at the interface between the Ti and GaN nanowires. Moreover, we found that the abnormal behavior of the barrier heights and the ideality factors in a Ti/GaN nano-Schottky diode at a temperature below 423 K could be explained by a combination of the enhancement of the tunneling current and a model with a Gaussian distribution of the barrier heights.

Correlation of film morphology and defect content with the charge-carrier transport in thin-film transistors based on ZnO nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Polster, S.; Jank, M. P. M.; Frey, L.

2016-01-14

The correlation of defect content and film morphology with the charge-carrier transport in field-effect devices based on zinc oxide nanoparticles was investigated. Changes in the defect content and the morphology were realized by annealing and sintering of the nanoparticle thin films. Temperature-dependent electrical measurements reveal that the carrier transport is thermally activated for both the unsintered and sintered thin films. Reduced energetic barrier heights between the particles have been determined after sintering. Additionally, the energetic barrier heights between the particles can be reduced by increasing the drain-to-source voltage and the gate-to-source voltage. The changes in the barrier height are discussedmore » with respect to information obtained by scanning electron microscopy and photoluminescence measurements. It is found that a reduction of surface states and a lower roughness at the interface between the particle layer and the gate dielectric lead to lower barrier heights. Both surface termination and layer morphology at the interface affect the barrier height and thus are the main criteria for mobility improvement and device optimization.« less

Temperature dependent electrical transport behavior of InN/GaN heterostructure based Schottky diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roul, Basanta; Kumar, Mahesh; Central Research Laboratory, Bharat Electronics, Bangalore 560013

InN/GaN heterostructure based Schottky diodes were fabricated by plasma-assisted molecular beam epitaxy. The temperature dependent electrical transport properties were carried out for InN/GaN heterostructure. The barrier height and the ideality factor of the Schottky diodes were found to be temperature dependent. The temperature dependence of the barrier height indicates that the Schottky barrier height is inhomogeneous in nature at the heterostructure interface. The higher value of the ideality factor and its temperature dependence suggest that the current transport is primarily dominated by thermionic field emission (TFE) other than thermionic emission (TE). The room temperature barrier height obtained by using TEmore » and TFE models were 1.08 and 1.43 eV, respectively.« less

Barrier inhomogeneities limited current and 1/f noise transport in GaN based nanoscale Schottky barrier diodes

PubMed Central

Kumar, Ashutosh; Heilmann, M.; Latzel, Michael; Kapoor, Raman; Sharma, Intu; Göbelt, M.; Christiansen, Silke H.; Kumar, Vikram; Singh, Rajendra

2016-01-01

The electrical behaviour of Schottky barrier diodes realized on vertically standing individual GaN nanorods and array of nanorods is investigated. The Schottky diodes on individual nanorod show highest barrier height in comparison with large area diodes on nanorods array and epitaxial film which is in contrast with previously published work. The discrepancy between the electrical behaviour of nanoscale Schottky diodes and large area diodes is explained using cathodoluminescence measurements, surface potential analysis using Kelvin probe force microscopy and 1ow frequency noise measurements. The noise measurements on large area diodes on nanorods array and epitaxial film suggest the presence of barrier inhomogeneities at the metal/semiconductor interface which deviate the noise spectra from Lorentzian to 1/f type. These barrier inhomogeneities in large area diodes resulted in reduced barrier height whereas due to the limited role of barrier inhomogeneities in individual nanorod based Schottky diode, a higher barrier height is obtained. PMID:27282258

Quantum and classical dynamics of water dissociation on Ni(111): A test of the site-averaging model in dissociative chemisorption of polyatomic molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Bin; Department of Chemical Physics, University of Science and Technology of China, Hefei 230026; Guo, Hua, E-mail: hguo@unm.edu

Recently, we reported the first highly accurate nine-dimensional global potential energy surface (PES) for water interacting with a rigid Ni(111) surface, built on a large number of density functional theory points [B. Jiang and H. Guo, Phys. Rev. Lett. 114, 166101 (2015)]. Here, we investigate site-specific reaction probabilities on this PES using a quasi-seven-dimensional quantum dynamical model. It is shown that the site-specific reactivity is largely controlled by the topography of the PES instead of the barrier height alone, underscoring the importance of multidimensional dynamics. In addition, the full-dimensional dissociation probability is estimated by averaging fixed-site reaction probabilities with appropriatemore » weights. To validate this model and gain insights into the dynamics, additional quasi-classical trajectory calculations in both full and reduced dimensions have also been performed and important dynamical factors such as the steering effect are discussed.« less

Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates.

PubMed

Cendagorta, Joseph R; Powers, Anna; Hele, Timothy J H; Marsalek, Ondrej; Bačić, Zlatko; Tuckerman, Mark E

2016-11-30

Clathrate hydrates hold considerable promise as safe and economical materials for hydrogen storage. Here we present a quantum mechanical study of H 2 and D 2 diffusion through a hexagonal face shared by two large cages of clathrate hydrates over a wide range of temperatures. Path integral molecular dynamics simulations are used to compute the free-energy profiles for the diffusion of H 2 and D 2 as a function of temperature. Ring polymer molecular dynamics rate theory, incorporating both exact quantum statistics and approximate quantum dynamical effects, is utilized in the calculations of the H 2 and D 2 diffusion rates in a broad temperature interval. We find that the shape of the quantum free-energy profiles and their height relative to the classical free energy barriers at a given temperature, as well as the rate of diffusion, are strongly affected by competing quantum effects: above 25 K, zero-point energy (ZPE) perpendicular to the reaction path for diffusion between cavities decreases the quantum rate compared to the classical rate, whereas at lower temperatures tunneling outcompetes the ZPE and as a result the quantum rate is greater than the classical rate.

Temperature dependent current-voltage characteristics of Au/n-Si Schottky barrier diodes and the effect of transition metal oxides as an interface layer

NASA Astrophysics Data System (ADS)

Mahato, Somnath; Puigdollers, Joaquim

2018-02-01

Temperature dependent current-voltage (I‒V) characteristics of Au/n-type silicon (n-Si) Schottky barrier diodes have been investigated. Three transition metal oxides (TMO) are used as an interface layer between gold and silicon. The basic Schottky diode parameters such as ideality factor (n), barrier height (ϕb 0) and series resistance (Rs) are calculated and successfully explained by the thermionic emission (TE) theory. It has been found that ideality factor decreased and barrier height increased with increased of temperature. The conventional Richardson plot of ln(I0/T2) vs. 1000/T is determined the activation energy (Ea) and Richardson constant (A*). Whereas value of 'A*' is much smaller than the known theoretical value of n-type Si. The temperature dependent I-V characteristics obtained the mean value of barrier height (ϕb 0 bar) and standard deviation (σs) from the linear plot of ϕap vs. 1000/T. From the modified Richardson plot of ln(I0/T2) ˗ (qσ)2/2(kT)2 vs. 1000/T gives Richardson constant and homogeneous barrier height of Schottky diodes. Main observation in this present work is the barrier height and ideality factor shows a considerable change but the series resistance value exhibits negligible change due to TMO as an interface layer.

Correlation between morphological defects, electron beam-induced current imaging, and the electrical properties of 4H-SiC Schottky diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Y.; Ali, G.N.; Mikhov, M.K.

2005-01-01

Defects in SiC degrade the electrical properties and yield of devices made from this material. This article examines morphological defects in 4H-SiC and defects visible in electron beam-induced current (EBIC) images and their effects on the electrical characteristics of Schottky diodes. Optical Nomarski microscopy and atomic force microscopy were used to observe the morphological defects, which are classified into 26 types based on appearance alone. Forward and reverse current-voltage characteristics were used to extract barrier heights, ideality factors, and breakdown voltages. Barrier heights decrease about linearly with increasing ideality factor, which is explained by discrete patches of low barrier heightmore » within the main contact. Barrier height, ideality, and breakdown voltage all degrade with increasing device diameter, suggesting that discrete defects are responsible. Electroluminescence was observed under reverse bias from microplasmas associated with defects containing micropipes. EBIC measurements reveal several types of features corresponding to recombination centers. The density of dark spots observed by EBIC correlates strongly with ideality factor and barrier height. Most morphological defects do not affect the reverse characteristics when no micropipes are present, but lower the barrier height and worsen the ideality factor. However, certain multiple-tailed defects, irregularly shaped defects and triangular defects with 3C inclusions substantially degrade both breakdown voltage and barrier height, and account for most of the bad devices that do not contain micropipes. Micropipes in these wafers are also frequently found to be of Type II, which do not run parallel to the c axis.« less

Correlation Between Morphological Defects, Electron Beam Induced Current Imaging, and the Electrical Properties of 4H-SiC Schottky Diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang,Y.; Ali, G.; Mikhov, M.

2005-01-01

Defects in SiC degrade the electrical properties and yield of devices made from this material. This article examines morphological defects in 4H-SiC and defects visible in electron beam-induced current (EBIC) images and their effects on the electrical characteristics of Schottky diodes. Optical Nomarski microscopy and atomic force microscopy were used to observe the morphological defects, which are classified into 26 types based on appearance alone. Forward and reverse current-voltage characteristics were used to extract barrier heights, ideality factors, and breakdown voltages. Barrier heights decrease about linearly with increasing ideality factor, which is explained by discrete patches of low barrier heightmore » within the main contact. Barrier height, ideality, and breakdown voltage all degrade with increasing device diameter, suggesting that discrete defects are responsible. Electroluminescence was observed under reverse bias from microplasmas associated with defects containing micropipes. EBIC measurements reveal several types of features corresponding to recombination centers. The density of dark spots observed by EBIC correlates strongly with ideality factor and barrier height. Most morphological defects do not affect the reverse characteristics when no micropipes are present, but lower the barrier height and worsen the ideality factor. However, certain multiple-tailed defects, irregularly shaped defects and triangular defects with 3C inclusions substantially degrade both breakdown voltage and barrier height, and account for most of the bad devices that do not contain micropipes. Micropipes in these wafers are also frequently found to be of Type II, which do not run parallel to the c axis.« less

Correlation between amplitude of spin accumulation signals investigated by Hanle effect measurement and effective junction barrier height in CoFe/MgO/n{sup +}-Si junctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saito, Y., E-mail: yoshiaki.saito@toshiba.co.jp; Ishikawa, M.; Sugiyama, H.

2015-05-07

Correlation between the amplitude of the spin accumulation signals and the effective barrier height estimated from the slope of the log (RA) - t{sub MgO} plot (RA: resistance area product, t{sub MgO}: thickness of MgO tunnel barrier) in CoFe/MgO/n{sup +}-Si junctions was investigated. The amplitude of spin accumulation signals increases with increasing effective barrier heights. This increase of the amplitude of spin accumulation is originated from the increase of the spin polarization (P{sub Si}) in Si. The estimated absolute values of P{sub Si} using three-terminal Hanle signals are consistent with those estimated by four-terminal nonlocal-magnetoresistance (MR) and two-terminal local-MR. Tomore » demonstrate large spin accumulation in Si bulk band and enhance the local-MR through Si channel, these results indicate that the increase of the effective barrier height at ferromagnet/(tunnel barrier)/n{sup +}-Si junction electrode is important.« less

Spatial inhomogeneity in Schottky barrier height at graphene/MoS2 Schottky junctions

NASA Astrophysics Data System (ADS)

Tomer, D.; Rajput, S.; Li, L.

2017-04-01

Transport properties of graphene semiconductor Schottky junctions strongly depend on interfacial inhomogeneities due to the inherent formation of ripples and ridges. Here, chemical vapor deposited graphene is transferred onto multilayer MoS2 to fabricate Schottky junctions. These junctions exhibit rectifying current-voltage behavior with the zero bias Schottky barrier height increases and ideality factor decreases with increasing temperature between 210 and 300 K. Such behavior is attributed to the inhomogeneous interface that arises from graphene ripples and ridges, as revealed by atomic force and scanning tunneling microscopy imaging. Assuming a Gaussian distribution of the barrier height, a mean value of 0.96  ±  0.14 eV is obtained. These findings indicate a direct correlation between temperature dependent Schottky barrier height and spatial inhomogeneity in graphene/2D semiconductor Schottky junctions.

Parameterization of fission barrier heights of medium, heavy and super heavy nuclei

NASA Astrophysics Data System (ADS)

Manjunatha, H. C.

2017-12-01

A new semi empirical formula is proposed for fission barrier heights of medium, heavy and super heavy nuclei in the atomic number region 50 ≤ Z ≤ 130. The fitting parameters for the proposed formula are obtained by making a polynomial fit to the available theoretical and experimental data. The calculated fission barrier heights are compared with that of experiments and other theoretical models such as SHF(SLy6) (Burvenich et al. in Phys Rev C 69:014307, 2004), SHFB(SkM) (Baran et al. in Nucl Phys A 944:442, 2015), FRLDM (Möller et al. in Phys Rev C 79:064304, 2009), ETFSI (SkSC4) with Skyrme SkSC4 force (Mamdouh et al. in Nucl Phys A 679:337, 2001), WS (Kowal et al. in Phys Rev C 82:014303, 2010) and CDFT(DD-ME2) (Abusara et al. in Phys Rev C 85:024314, 2012). The standard deviation for fission barrier heights produced by present formula is evaluated. The good agreement of present formula with the experiments and other models suggests that the present formula could be used to evaluate the fission barrier heights of medium, heavy and super heavy nuclei in the region 50 ≤ Z ≤ 130. This formula is a first of its kind that produces fission barrier heights of 2858 nuclei with the only simple inputs of only neutron number (N), proton number (Z) and mass number (A).

Parameterization of fission barrier heights of medium, heavy and super heavy nuclei

NASA Astrophysics Data System (ADS)

Manjunatha, H. C.

2018-04-01

A new semi empirical formula is proposed for fission barrier heights of medium, heavy and super heavy nuclei in the atomic number region 50 ≤ Z ≤ 130. The fitting parameters for the proposed formula are obtained by making a polynomial fit to the available theoretical and experimental data. The calculated fission barrier heights are compared with that of experiments and other theoretical models such as SHF(SLy6) (Burvenich et al. in Phys Rev C 69:014307, 2004), SHFB(SkM) (Baran et al. in Nucl Phys A 944:442, 2015), FRLDM (Möller et al. in Phys Rev C 79:064304, 2009), ETFSI (SkSC4) with Skyrme SkSC4 force (Mamdouh et al. in Nucl Phys A 679:337, 2001), WS (Kowal et al. in Phys Rev C 82:014303, 2010) and CDFT(DD-ME2) (Abusara et al. in Phys Rev C 85:024314, 2012). The standard deviation for fission barrier heights produced by present formula is evaluated. The good agreement of present formula with the experiments and other models suggests that the present formula could be used to evaluate the fission barrier heights of medium, heavy and super heavy nuclei in the region 50 ≤ Z ≤ 130. This formula is a first of its kind that produces fission barrier heights of 2858 nuclei with the only simple inputs of only neutron number (N), proton number (Z) and mass number (A).

Anomalous Temperature Dependence in Metal-Black Phosphorus Contact.

PubMed

Li, Xuefei; Grassi, Roberto; Li, Sichao; Li, Tiaoyang; Xiong, Xiong; Low, Tony; Wu, Yanqing

2018-01-10

Metal-semiconductor contact has been the performance limiting problem for electronic devices and also dictates the scaling potential for future generation devices based on novel channel materials. Two-dimensional semiconductors beyond graphene, particularly few layer black phosphorus, have attracted much attention due to their exceptional electronic properties such as anisotropy and high mobility. However, due to its ultrathin body nature, few layer black phosphorus-metal contact behaves differently than conventional Schottky barrier (SB) junctions, and the mechanisms of its carrier transport across such a barrier remain elusive. In this work, we examine the transport characteristic of metal-black phosphorus contact under varying temperature. We elucidated the origin of apparent negative SB heights extracted from classical thermionic emission model and also the phenomenon of metal-insulator transition observed in the current-temperature transistor characteristic. In essence, we found that the SB height can be modulated by the back-gate voltage, which beyond a certain critical point becomes so low that the injected carrier can no longer be described by the conventional thermionic emission theory. The transition from transport dominated by a Maxwell-Boltzmann distribution for the high energy tail states, to that of a Fermi distribution by low energy Fermi sea electrons, is the physical origin of the observed metal-insulator transition. We identified two distinctive tunneling limited transport regimes in the contact: vertical and longitudinal tunneling.

Current transport in Pd2Si/n-Si(100) Schottky barrier diodes at low temperatures

NASA Astrophysics Data System (ADS)

Chand, Subhash; Kumar, Jitendra

1996-08-01

The forward current-voltage ( I V) characteristics of Pd2Si/n-Si(100) Schottky barrier diodes are shown to follow the Thermionic Emission-Diffusion (TED) mechanism in the temperature range of 52-295 K. The evaluation of the experimental I V data reveals a decrease of the zero-bias barrier height (ϕ b0) and an increase of the ideality factor (η) with decreasing temperature. Further, the changes in ϕ b0 and η become quite significant below 148 K. It is demonstrated that the findings cannot be explained on the basis of tunneling, generation-recombination and/or image force lowering. Also, the concepts of flat band barrier height and “ T 0-effect” fail to account for the temperature dependence of the barrier parameters. The 1n( I s / T 2) vs 1/ T plot exhibits nonlinearity below 185 K with the linear portion corresponding to an activat ion energy of 0.64 eV, a value smaller than the zero-bias barrier height energy (0.735 eV) of Pd2Si/n-Si Schottky diodes. Similarly, the value of the effective Richardson constant A** turns out to be 1.17 × 104 A m-2 K-2 against the theoretical value of 1.12 × 106 A m-2 K-2. Finally, it is demonstrated that the observed trends result due to barrier height inhomogeneities prevailing at the interface which, in turn, cause extra current such that the I V characteristics continue to remain consistent with the TED process even at low temperatures. The inhomogeneities are believed to have a Gaussian distribution with a mean barrier height of 0.80 V and a standard deviation of 0.05 V at zero-bias. Also, the effect of bias is shown to homogenize barrier heights at a slightly higher mean value.

Characterization of the inhomogeneous barrier distribution in a Pt/(100)β-Ga2O3 Schottky diode via its temperature-dependent electrical properties

NASA Astrophysics Data System (ADS)

Jian, Guangzhong; He, Qiming; Mu, Wenxiang; Fu, Bo; Dong, Hang; Qin, Yuan; Zhang, Ying; Xue, Huiwen; Long, Shibing; Jia, Zhitai; Lv, Hangbing; Liu, Qi; Tao, Xutang; Liu, Ming

2018-01-01

β-Ga2O3 is an ultra-wide bandgap semiconductor with applications in power electronic devices. Revealing the transport characteristics of β-Ga2O3 devices at various temperatures is important for improving device performance and reliability. In this study, we fabricated a Pt/β-Ga2O3 Schottky barrier diode with good performance characteristics, such as a low ON-resistance, high forward current, and a large rectification ratio. Its temperature-dependent current-voltage and capacitance-voltage characteristics were measured at various temperatures. The characteristic diode parameters were derived using thermionic emission theory. The ideality factor n was found to decrease from 2.57 to 1.16 while the zero-bias barrier height Φb0 increased from 0.47 V to 1.00 V when the temperature was increased from 125 K to 350 K. This was explained by the Gaussian distribution of barrier height inhomogeneity. The mean barrier height Φ ¯ b0 = 1.27 V and zero-bias standard deviation σ0 = 0.13 V were obtained. A modified Richardson plot gave a Richardson constant A* of 36.02 A.cm-2.K-2, which is close to the theoretical value of 41.11 A.cm-2.K-2. The differences between the barrier heights determined using the capacitance-voltage and current-voltage curves were also in line with the Gaussian distribution of barrier height inhomogeneity.

Interfacial Chemistry-Induced Modulation of Schottky Barrier Heights: In Situ Measurements of the Pt-Amorphous Indium Gallium Zinc Oxide Interface Using X-ray Photoelectron Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Flynn, Brendan T.; Oleksak, Richard P.; Thevuthasan, Suntharampillai

A method to modulate the Schottky barrier heights for platinum and amorphous indium gallium zinc oxide (a-IGZO) interfaces is demonstrated through thermal processing and background ambient pressure control. The interfacial chemistries that modulate barrier heights for the Pt/a-IGZO system were investigated using in-situ X-ray photoelectron spectroscopy. A significant reduction of indium, from In3+ to In0, occurs during deposition of Pt on to the a-IGZO surface in ultra-high vacuum. Post-annealing and controlling the background ambient O2 pressure allows tuning the degree of indium reduction and the corresponding Schottky barrier height between 0.17 to 0.77 eV. Understanding the detailed interfacial chemistries atmore » Pt/a-IGZO interfaces may allow for improved electronic device performance, including Schottky diodes, memristors, and metalsemiconductor field-effect transistors.« less

Interfacial Chemistry-Induced Modulation of Schottky Barrier Heights: In Situ Measurements of the Pt–Amorphous Indium Gallium Zinc Oxide Interface Using X-ray Photoelectron Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Flynn, Brendan T.; Oleksak, Richard P.; Thevuthasan, Suntharampillai

A method to modulate the Schottky barrier heights for platinum and amorphous indium gallium zinc oxide (a-IGZO) interfaces is demonstrated through thermal processing and background ambient pressure control. The interfacial chemistries that modulate barrier heights for the Pt/a-IGZO system were investigated using in-situ X-ray photoelectron spectroscopy. A significant reduction of indium, from In 3+ to In 0, occurs during deposition of Pt on to the a-IGZO surface in ultra-high vacuum. Post-annealing and controlling the background ambient O 2 pressure allows tuning the degree of indium reduction and the corresponding Schottky barrier height between 0.17 to 0.77 eV. Understanding the detailedmore » interfacial chemistries at Pt/a-IGZO interfaces may allow for improved electronic device performance, including Schottky diodes, memristors, and metalsemiconductor field-effect transistors.« less

Schottky barrier height of Ni to β-(AlxGa1-x)2O3 with different compositions grown by plasma-assisted molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Ahmadi, Elaheh; Oshima, Yuichi; Wu, Feng; Speck, James S.

2017-03-01

Coherent β-(AlxGa1-x)2O3 films (x = 0, 0.038, 0.084, 0.164) were grown successfully on a Sn-doped β-Ga2O3 (010) substrate using plasma-assisted molecular beam epitaxy. Atom probe tomography, transmission electron microscopy, and high resolution x-ray diffraction were used to verify the alloy composition and high quality of the films. Schottky diodes were then fabricated using Ni as the Schottky metal. Capacitance-voltage measurements revealed a very low (<7 × 1015 cm-3) free charge density in the nominally undoped films. The barrier height and ideality factor were estimated by current-voltage (I-V) measurements performed at temperatures varying from 300 K to 500 K on the Schottky diodes. These measurements revealed that the apparent Schottky barrier height could have similar values for different compositions of β-(AlxGa1-x)2O3. We believe this is attributed to the lateral fluctuation in the alloy’s composition. This results in a lateral variation in the barrier height. Therefore, the average Schottky barrier height extracted from I-V measurements could be similar for β-(AlxGa1-x)2O3 films with different compositions.

Shingle system

DOEpatents

Dinwoodie, Thomas L [Piedmont, CA

2008-02-12

A barrier, such as a PV module, is secured to a base by a support to create a shingle assembly with a venting region defined between the barrier and base for temperature regulation. Water resistant junctions may be formed between the bases of adjacent shingle assemblies of an array of shingle assemblies. The base may include an insulation layer underlying a water barrier. The base may also include a waterproofing element; the width and height of the barrier may be shorter than the width and height of the waterproofing element.

Using models to interpret the impact of roadside barriers on near-road air quality

NASA Astrophysics Data System (ADS)

Amini, Seyedmorteza; Ahangar, Faraz Enayati; Schulte, Nico; Venkatram, Akula

2016-08-01

The question this paper addresses is whether semi-empirical dispersion models based on data from controlled wind tunnel and tracer experiments can describe data collected downwind of a sound barrier next to a real-world urban highway. Both models are based on the mixed wake model described in Schulte et al. (2014). The first neglects the effects of stability on dispersion, and the second accounts for reduced entrainment into the wake of the barrier under unstable conditions. The models were evaluated with data collected downwind of a kilometer-long barrier next to the I-215 freeway running next to the University of California campus in Riverside. The data included measurements of 1) ultrafine particle (UFP) concentrations at several distances from the barrier, 2) micrometeorological variables upwind and downwind of the barrier, and 3) traffic flow separated by automobiles and trucks. Because the emission factor for UFP is highly uncertain, we treated it as a model parameter whose value is obtained by fitting model estimates to observations of UFP concentrations measured at distances where the barrier impact is not dominant. Both models provide adequate descriptions of both the magnitude and the spatial variation of observed concentrations. The good performance of the models reinforces the conclusion from Schulte et al. (2014) that the presence of the barrier is equivalent to shifting the line sources on the road upwind by a distance of about HU/u∗ where H is the barrier height, U is the wind velocity at half of the barrier height, and u∗ is the friction velocity. The models predict that a 4 m barrier results in a 35% reduction in average concentration within 40 m (10 times the barrier height) of the barrier, relative to the no-barrier site. This concentration reduction is 55% if the barrier height is doubled.

Canonical Schottky barrier heights of transition metal dichalcogenide monolayers in contact with a metal

NASA Astrophysics Data System (ADS)

Szcześniak, Dominik; Hoehn, Ross D.; Kais, Sabre

2018-05-01

The transition metal dichalcogenide (M X2 , where M =Mo , W and X =S , Se, Te) monolayers are of high interest for semiconducting applications at the nanoscale level; this interest is due to both their direct band gaps and high charge mobilities. In this regard, an in-depth understating of the related Schottky barrier heights, associated with the incorporation of M X2 sheets into novel low-dimensional metal-semiconductor junctions, is of crucial importance. Herein, we generate and provide analysis of the Schottky barrier heights behavior to account for the metal-induced gap states concept as its explanation. In particular, the present investigations concentrate on the estimation of the charge neutrality levels directly by employing the primary theoretical model, i.e., the cell-averaged Green's function formalism combined with the complex band structure technique. The results presented herein place charge neutrality levels in the vicinity of the midgap; this is in agreement with previous reports and analogous to the behavior of three-dimensional semiconductors. The calculated canonical Schottky barrier heights are also found to be in agreement with other computational and experimental values in cases where the difference between electronegativities of the semiconductor and metal contact is small. Moreover, the influence of the spin-orbit effects is herein considered and supports that Schottky barrier heights have metal-induced gap state-derived character, regardless whether spin-orbit coupling interactions are considered. The results presented within this report constitute a direct and vital verification of the importance of metal-induced gap states in explaining the behavior of observed Schottky barrier heights at M X2 -metal junctions.

Effect of annealing temperature on the electrical properties of Au/Ta2O5/n-GaN metal-insulator-semiconductor (MIS) structure

NASA Astrophysics Data System (ADS)

Prasanna Lakshmi, B.; Rajagopal Reddy, V.; Janardhanam, V.; Siva Pratap Reddy, M.; Lee, Jung-Hee

2013-11-01

We report on the effect of an annealing temperature on the electrical properties of Au/Ta2O5/n-GaN metal-insulator-semiconductor (MIS) structure by current-voltage ( I- V) and capacitance-voltage ( C- V) measurements. The measured Schottky barrier height ( Φ bo) and ideality factor n values of the as-deposited Au/Ta2O5/n-GaN MIS structure are 0.93 eV ( I- V) and 1.19. The barrier height (BH) increases to 1.03 eV and ideality factor decreases to 1.13 upon annealing at 500 ∘C for 1 min under nitrogen ambient. When the contact is annealed at 600 ∘C, the barrier height decreases and the ideality factor increases to 0.99 eV and 1.15. The barrier heights obtained from the C- V measurements are higher than those obtained from I- V measurements, and this indicates the existence of spatial inhomogeneity at the interface. Cheung’s functions are also used to calculate the barrier height ( Φ bo), ideality factor ( n), and series resistance ( R s ) of the Au/Ta2O5/n-GaN MIS structure. Investigations reveal that the Schottky emission is the dominant mechanism and the Poole-Frenkel emission occurs only in the high voltage region. The energy distribution of interface states is determined from the forward bias I- V characteristics by taking into account the bias dependence of the effective barrier height. It is observed that the density value of interface states for the annealed samples with interfacial layer is lower than that of the density value of interface states of the as-deposited sample.

Experimental investigation of terahertz quantum cascade laser with variable barrier heights

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Aiting; Vijayraghavan, Karun; Belkin, Mikhail A., E-mail: mbelkin@ece.utexas.edu

2014-04-28

We report an experimental study of terahertz quantum cascade lasers with variable barrier heights based on the Al{sub x}Ga{sub 1–x}As/GaAs material system. Two new designs are developed based on semiclassical ensemble Monte Carlo simulations using state-of-the-art Al{sub 0.15}Ga{sub 0.85}As/GaAs three-quantum-well resonant phonon depopulation active region design as a reference. The new designs achieved maximum lasing temperatures of 188 K and 172 K, as compared to the maximum lasing temperature of 191 K for the reference structure. These results demonstrate that terahertz quantum cascade laser designs with variable barrier heights provide a viable alternative to the traditional active region designs with fixed barrier composition.more » Additional design space offered by using variable barriers may lead to future improvements in the terahertz quantum cascade laser performance.« less

Ideal MHD stability of double transport barrier plasmas in DIII-D

NASA Astrophysics Data System (ADS)

Li, G. Q.; Wang, S. J.; Lao, L. L.; Turnbull, A. D.; Chu, M. S.; Brennan, D. P.; Groebner, R. J.; Zhao, L.

2008-01-01

The ideal MHD stability for double transport barrier (DTB or DB) plasmas with varying edge and internal barrier width and height was investigated, using the ideal MHD stability code GATO. A moderate ratio of edge transport barriers (ETB) height to internal transport barriers (ITBs) height is found to be beneficial to MHD stability and the βN is limited by global low n instabilities. For moderate ITB width DB plasmas, if the ETB is weak, the stability is limited by n = 1 (n is the toroidal mode number) global mode; whereas if the ETB is strong it is limited by intermediate-n edge peeling-ballooning modes. Broadening the ITB can improve stability if the ITB half width wi lsim 0.3. For very broad ITB width plasmas the stability is limited by stability to a low n (n > 1) global mode.

Communication: An accurate calculation of the S{sub 1} C{sub 2}H{sub 2} cis-trans isomerization barrier height

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baraban, Joshua H.; Matthews, Devin A.; Stanton, John F.

2016-03-21

A high level ab initio calculation of the cis-trans isomerization barrier height in the first excited singlet electronic state of acetylene is found to agree very well with a recent experimental determination.

Communication: An accurate calculation of the S 1 C 2H 2 cis-trans isomerization barrier height

DOE PAGES

Baraban, Joshua H.; Matthews, Devin A.; Stanton, John F.

2016-03-16

In this study, a high level ab initio calculation of the cis-trans isomerization barrier height in the first excited singlet electronic state of acetylene is found to agree very well with a recent experimental determination.

Effect of barrier height on friction behavior of the semiconductors silicon and gallium arsenide in contact with pure metals

NASA Technical Reports Server (NTRS)

Mishina, H.; Buckley, D. H.

1984-01-01

Friction experiments were conducted for the semiconductors silicon and gallium arsenide in contact with pure metals. Polycrystalline titanium, tantalum, nickel, palladium, and platinum were made to contact a single crystal silicon (111) surface. Indium, nickel, copper, and silver were made to contact a single crystal gallium arsenide (100) surface. Sliding was conducted both in room air and in a vacuum of 10 to the minus 9th power torr. The friction of semiconductors in contact with metals depended on a Schottky barrier height formed at the metal semiconductor interface. Metals with a higher barrier height on semiconductors gave lower friction. The effect of the barrier height on friction behavior for argon sputtered cleaned surfaces in vacuum was more specific than that for the surfaces containing films in room air. With a silicon surface sliding on titanium, many silicon particles back transferred. In contrast, a large quantity of indium transferred to the gallium arsenide surface.

Interfacial Chemistry-Induced Modulation of Schottky Barrier Heights: In Situ Measurements of the Pt-Amorphous Indium Gallium Zinc Oxide Interface Using X-ray Photoelectron Spectroscopy.

PubMed

Flynn, Brendan T; Oleksak, Richard P; Thevuthasan, Suntharampillai; Herman, Gregory S

2018-01-31

A method to understand the role of interfacial chemistry on the modulation of Schottky barrier heights for platinum and amorphous indium gallium zinc oxide (a-IGZO) interfaces is demonstrated through thermal processing and background ambient pressure control. In situ X-ray photoelectron spectroscopy was used to characterize the interfacial chemistries that modulate barrier heights in this system. The primary changes were a significant chemical reduction of indium, from In 3+ to In 0 , that occurs during deposition of Pt on to the a-IGZO surface in ultrahigh vacuum. Postannealing and controlling the background ambient O 2 pressure allows further tuning of the reduction of indium and the corresponding Schottky barrier heights from 0.17 to 0.77 eV. Understanding the detailed interfacial chemistries at Pt/a-IGZO interfaces may allow for improved electronic device performance, including Schottky diodes, memristors, and metal-semiconductor field-effect transistors.

Effect of the δ-potential on spin-dependent electron tunneling in double barrier semiconductor heterostructure

NASA Astrophysics Data System (ADS)

Chandrasekar, L. Bruno; Gnanasekar, K.; Karunakaran, M.

2018-06-01

The effect of δ-potential was studied in GaAs/Ga0.6Al0·4As double barrier heterostructure with Dresselhaus spin-orbit interaction. The role of barrier height and position of the δ- potential in the well region was analysed on spin-dependent electron tunneling using transfer matrix method. The spin-separation between spin-resonances on energy scale depends on both height and position of the δ- potential, whereas the tunneling life time of electrons highly influenced by the position of the δ- potential and not on the height. These results might be helpful for the fabrication of spin-filters.

Analysis of Schottky Barrier Parameters and Current Transport Properties of V/p-Type GaN Schottky Junction at Low Temperatures

NASA Astrophysics Data System (ADS)

Asha, B.; Harsha, Cirandur Sri; Padma, R.; Rajagopal Reddy, V.

2018-05-01

The electrical characteristics of a V/p-GaN Schottky junction have been investigated by current-voltage (I-V) and capacitance-voltage (C-V) characteristics under the assumption of the thermionic emission (TE) theory in the temperature range of 120-280 K with steps of 40 K. The zero-bias barrier height (ΦB0), ideality factor (n), flat-band barrier height (ΦBF) and series resistance (R S) values were evaluated and were found to be strongly temperature dependent. The results revealed that the ΦB0 values increase, whereas n, ΦFB and R S values decrease, with increasing temperature. Using the conventional Richardson plot, the mean barrier height (0.39 eV) and Richardson constant (8.10 × 10-10 Acm-2 K-2) were attained. The barrier height inhomogeneities were demonstrated by assuming a Gaussian distribution function. The interface state density (N SS) values were found to decrease with increasing temperature. The reverse leakage current mechanism of the V/p-GaN Schottky junction was found to be governed by Poole-Frenkel emission at all temperatures.

Dependence of Fusion Barrier Heights on the Difference of Proton and Neutron Radii

NASA Astrophysics Data System (ADS)

Dobrowolski, A.; Pomorski, K.; Bartel, J.

2005-04-01

Using the Skyrme effective nucleon--nucleon interaction together with the semiclassical Extended Thomas--Fermi approach (ETF) we investigate the relative change of the fusion barrier heights for the reaction 16O+208Pb as function of the nuclear proton or neutron radii of the colliding nuclei.

Utilization of Large Scale Surface Models for Detailed Visibility Analyses

NASA Astrophysics Data System (ADS)

Caha, J.; Kačmařík, M.

2017-11-01

This article demonstrates utilization of large scale surface models with small spatial resolution and high accuracy, acquired from Unmanned Aerial Vehicle scanning, for visibility analyses. The importance of large scale data for visibility analyses on the local scale, where the detail of the surface model is the most defining factor, is described. The focus is not only the classic Boolean visibility, that is usually determined within GIS, but also on so called extended viewsheds that aims to provide more information about visibility. The case study with examples of visibility analyses was performed on river Opava, near the Ostrava city (Czech Republic). The multiple Boolean viewshed analysis and global horizon viewshed were calculated to determine most prominent features and visibility barriers of the surface. Besides that, the extended viewshed showing angle difference above the local horizon, which describes angular height of the target area above the barrier, is shown. The case study proved that large scale models are appropriate data source for visibility analyses on local level. The discussion summarizes possible future applications and further development directions of visibility analyses.

Multi-scale coarse-graining for the study of assembly pathways in DNA-brick self-assembly.

PubMed

Fonseca, Pedro; Romano, Flavio; Schreck, John S; Ouldridge, Thomas E; Doye, Jonathan P K; Louis, Ard A

2018-04-07

Inspired by recent successes using single-stranded DNA tiles to produce complex structures, we develop a two-step coarse-graining approach that uses detailed thermodynamic calculations with oxDNA, a nucleotide-based model of DNA, to parametrize a coarser kinetic model that can reach the time and length scales needed to study the assembly mechanisms of these structures. We test the model by performing a detailed study of the assembly pathways for a two-dimensional target structure made up of 334 unique strands each of which are 42 nucleotides long. Without adjustable parameters, the model reproduces a critical temperature for the formation of the assembly that is close to the temperature at which assembly first occurs in experiments. Furthermore, the model allows us to investigate in detail the nucleation barriers and the distribution of critical nucleus shapes for the assembly of a single target structure. The assembly intermediates are compact and highly connected (although not maximally so), and classical nucleation theory provides a good fit to the height and shape of the nucleation barrier at temperatures close to where assembly first occurs.

Quantum Ultra-Walks: Walks on a Line with Spatial Disorder

NASA Astrophysics Data System (ADS)

Boettcher, Stefan; Falkner, Stefan

We discuss the model of a heterogeneous discrete-time walk on a line with spatial disorder in the form of a set of ultrametric barriers. Simulations show that such an quantum ultra-walk spreads with a walk exponent dw that ranges from ballistic (dw = 1) to complete confinement (dw = ∞) for increasing separation 1 <= 1 / ɛ < ∞ in barrier heights. We develop a formalism by which the classical random walk as well as the quantum walk can be treated in parallel using a coined walk with internal degrees of freedom. For the random walk, this amounts to a 2nd -order Markov process with a stochastic coin, better know as an (anti-)persistent walk. The exact analysis, based on the real-space renormalization group (RG), reproduces the results of the well-known model of ``ultradiffusion,'' dw = 1 -log2 ɛ for 0 < ɛ <= 1 / 2 . However, while the evaluation of the RG fixed-points proceeds virtually identical, for the corresponding quantum walk with a unitary coin it fails to reproduce the numerical results. A new way to analyze the RG is indicated. Supported by NSF-DMR 1207431.

Multi-scale coarse-graining for the study of assembly pathways in DNA-brick self-assembly

NASA Astrophysics Data System (ADS)

Fonseca, Pedro; Romano, Flavio; Schreck, John S.; Ouldridge, Thomas E.; Doye, Jonathan P. K.; Louis, Ard A.

2018-04-01

Inspired by recent successes using single-stranded DNA tiles to produce complex structures, we develop a two-step coarse-graining approach that uses detailed thermodynamic calculations with oxDNA, a nucleotide-based model of DNA, to parametrize a coarser kinetic model that can reach the time and length scales needed to study the assembly mechanisms of these structures. We test the model by performing a detailed study of the assembly pathways for a two-dimensional target structure made up of 334 unique strands each of which are 42 nucleotides long. Without adjustable parameters, the model reproduces a critical temperature for the formation of the assembly that is close to the temperature at which assembly first occurs in experiments. Furthermore, the model allows us to investigate in detail the nucleation barriers and the distribution of critical nucleus shapes for the assembly of a single target structure. The assembly intermediates are compact and highly connected (although not maximally so), and classical nucleation theory provides a good fit to the height and shape of the nucleation barrier at temperatures close to where assembly first occurs.

Accurate ab initio quartic force fields for the ions HCO(+) and HOC(+)

NASA Technical Reports Server (NTRS)

Martin, J. M. L.; Taylor, Peter R.; Lee, Timothy J.

1993-01-01

The quartic force fields of HCO(+) and HOC(+) have been computed using augmented coupled cluster methods and basis sets of spdf and spdfg quality. Calculations on HCN, CO, and N2 have been performed to assist in calibrating the computed results. Going from an spdf to an spdfg basis shortens triple bonds by about 0.004 A, and increases the corresponding harmonic frequency by 10-20/cm, leaving bond distances about 0.003 A too long and triple bond stretching frequencies about 5/cm too low. Accurate estimates for the bond distances, fundamental frequencies, and thermochemical quantities are given. HOC(+) lies 37.8 +/- 0.5 kcal/mol (0 K) above HCO(+); the classical barrier height for proton exchange is 76.7 +/- 1.0 kcal/mol.

Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways.

PubMed

Lifanov, Yuri; Vorselaars, Bart; Quigley, David

2016-12-07

We study a three-species analogue of the Potts lattice gas model of nucleation from solution in a regime where partially disordered solute is a viable thermodynamic phase. Using a multicanonical sampling protocol, we compute phase diagrams for the system, from which we determine a parameter regime where the partially disordered phase is metastable almost everywhere in the temperature-fugacity plane. The resulting model shows non-trivial nucleation and growth behaviour, which we examine via multidimensional free energy calculations. We consider the applicability of the model in capturing the multi-stage nucleation mechanisms of polymorphic biominerals (e.g., CaCO 3 ). We then quantitatively explore the kinetics of nucleation in our model using the increasingly popular "seeding" method. We compare the resulting free energy barrier heights to those obtained via explicit free energy calculations over a wide range of temperatures and fugacities, carefully considering the propagation of statistical error. We find that the ability of the "seeding" method to reproduce accurate free energy barriers is dependent on the degree of supersaturation, and severely limited by the use of a nucleation driving force Δμ computed for bulk phases. We discuss possible reasons for this in terms of underlying kinetic assumptions, and those of classical nucleation theory.

Railroad retarder noise reduction : study of acoustical barrier configurations

DOT National Transportation Integrated Search

1979-05-01

Field measurements of noise were made near a railroad retarder system without barriers and with acoustical barriers of various configurations. The configurations tested included acoustically reflective and acoustically absorptive barriers with height...

Gate Modulation of Graphene-ZnO Nanowire Schottky Diode.

PubMed

Liu, Ren; You, Xu-Chen; Fu, Xue-Wen; Lin, Fang; Meng, Jie; Yu, Da-Peng; Liao, Zhi-Min

2015-05-06

Graphene-semiconductor interface is important for the applications in electronic and optoelectronic devices. Here we report the modulation of the electric transport properties of graphene/ZnO nanowire Schottky diode by gate voltage (Vg). The ideality factor of the graphene/ZnO nanowire Schottky diode is ~1.7, and the Schottky barrier height is ~0.28 eV without external Vg. The Schottky barrier height is sensitive to Vg due to the variation of Fermi level of graphene. The barrier height increases quickly with sweeping Vg towards the negative value, while decreases slowly towards the positive Vg. Our results are helpful to understand the fundamental mechanism of the electric transport in graphene-semiconductor Schottky diode.

Planar doped barrier subharmonic mixers

NASA Technical Reports Server (NTRS)

Lee, T. H.; East, J. R.; Haddad, G. I.

1992-01-01

The Planar Doped Barrier (PDB) diode is a device consisting of a p(+) doping spike between two intrinsic layers and n(+) ohmic contacts. This device has the advantages of controllable barrier height, diode capacitance and forward to reverse current ratio. A symmetrically designed PDB has an anti-symmetric current vs. voltage characteristic and is ideal for use as millimeter wave subharmonic mixers. We have fabricated such devices with barrier heights of 0.3, 0.5 and 0.7 volts from GaAs and InGaAs using a multijunction honeycomb structure with junction diameters between one and ten microns. Initial RF measurements are encouraging. The 0.7 volt barrier height 4 micron GaAs devices were tested as subharmonic mixers at 202 GHz with an IF frequency of 1 GHz and had 18 dB of conversion loss. The estimated mismatch loss was 7 dB and was due to higher diode capacitance. The LO frequency was 100.5 GHz and the pump power was 8 mW.

Modulation of Folding Internal Friction by Local and Global Barrier Heights.

PubMed

Zheng, Wenwei; de Sancho, David; Best, Robert B

2016-03-17

Recent experiments have revealed an unexpected deviation from a first power dependence of protein relaxation times on solvent viscosity, an effect that has been attributed to "internal friction". One clear source of internal friction in protein dynamics is the isomerization of dihedral angles. A key outstanding question is whether the global folding barrier height influences the measured internal friction, based on the observation that the folding rates of fast-folding proteins, with smaller folding free energy barriers, tend to exhibit larger internal friction. Here, by studying two alanine-based peptides, we find that systematic variation of global folding barrier heights has little effect on the internal friction for folding rates. On the other hand, increasing local torsion angle barriers leads to increased internal friction, which is consistent with solvent memory effects being the origin of the viscosity dependence. Thus, it appears that local torsion transitions determine the viscosity dependence of the diffusion coefficient on the global coordinate and, in turn, internal friction effects on the folding rate.

Comparison of nickel, cobalt, palladium, and tungsten Schottky contacts on n-4H-silicon carbide

NASA Astrophysics Data System (ADS)

Gora, V. E.; Chawanda, A.; Nyamhere, C.; Auret, F. D.; Mazunga, F.; Jaure, T.; Chibaya, B.; Omotoso, E.; Danga, H. T.; Tunhuma, S. M.

2018-04-01

We have investigated the current-voltage (I-V) characteristics of nickel (Ni), cobalt (Co), tungsten (W) and palladium (Pd) Schottky contacts on n-type 4H-SiC in the 300-800 K temperature range. Results extracted from I-V measurements of Schottky barrier diodes showed that barrier height (ФBo) and ideality factor (n) were strongly dependent on temperature. Schottky barrier heights for contacts of all the metals showed an increase with temperature between 300 K and 800 K. This was attributed to barrier inhomogeneities at the interface between the metal and the semiconductor, which resulted in a distribution of barrier heights at the interface. Ideality factors of Ni, Co and Pd decreased from 1.6 to 1.0 and for W the ideality factor decreased from 1.1 to 1.0 when the temperature was increased from 300 K to 800 K respectively. The device parameters were compared to assess advantages and disadvantages of the metals for envisaged applications.

Effect of graphene tunnel barrier on Schottky barrier height of Heusler alloy Co2MnSi/graphene/n-Ge junction

NASA Astrophysics Data System (ADS)

Gui-fang, Li; Jing, Hu; Hui, Lv; Zhijun, Cui; Xiaowei, Hou; Shibin, Liu; Yongqian, Du

2016-02-01

We demonstrate that the insertion of a graphene tunnel barrier between Heusler alloy Co2MnSi and the germanium (Ge) channel modulates the Schottky barrier height and the resistance-area product of the spin diode. We confirm that the Fermi level is depinned and a reduction in the electron Schottky barrier height (SBH) occurs following the insertion of the graphene layer between Co2MnSi and Ge. The electron SBH is modulated in the 0.34 eV-0.61 eV range. Furthermore, the transport mechanism changes from rectifying to symmetric tunneling following the insertion. This behavior provides a pathway for highly efficient spin injection from a Heusler alloy into a Ge channel with high electron and hole mobility. Project supported by the National Natural Science Foundation of China (Grant No. 61504107) and the Fundamental Research Funds for the Central Universities, China (Grant Nos. 3102014JCQ01059 and 3102015ZY043).

A Computational Methodology to Screen Activities of Enzyme Variants

PubMed Central

Hediger, Martin R.; De Vico, Luca; Svendsen, Allan; Besenmatter, Werner; Jensen, Jan H.

2012-01-01

We present a fast computational method to efficiently screen enzyme activity. In the presented method, the effect of mutations on the barrier height of an enzyme-catalysed reaction can be computed within 24 hours on roughly 10 processors. The methodology is based on the PM6 and MOZYME methods as implemented in MOPAC2009, and is tested on the first step of the amide hydrolysis reaction catalyzed by the Candida Antarctica lipase B (CalB) enzyme. The barrier heights are estimated using adiabatic mapping and shown to give barrier heights to within 3 kcal/mol of B3LYP/6-31G(d)//RHF/3-21G results for a small model system. Relatively strict convergence criteria (0.5 kcal/(molÅ)), long NDDO cutoff distances within the MOZYME method (15 Å) and single point evaluations using conventional PM6 are needed for reliable results. The generation of mutant structures and subsequent setup of the semiempirical calculations are automated so that the effect on barrier heights can be estimated for hundreds of mutants in a matter of weeks using high performance computing. PMID:23284627

Properties of GaP Schottky barrier diodes at elevated temperatures.

NASA Technical Reports Server (NTRS)

Nannichi, Y.; Pearson, G. L.

1969-01-01

Gallium phosphide Schottky barrier diodes, discussing construction and metals used, barrier height relationships to impurity concentration and temperature, rectifying characteristics and internal quantum efficiency

Intrinsic inhomogeneous barrier height at the n-TiO2/p-Si hole-blocking junction

NASA Astrophysics Data System (ADS)

Kumar, Mohit; Singh, Ranveer; Som, Tapobrata

2018-01-01

Using Kelvin probe force microscopy (KPFM) and temperature-dependent current-voltage characteristics, we study the charge transport across an n-TiO2/p-Si heterojunction. In particular, the KPFM result shows a variation in the work function at the TiO2 surface. On the other hand, temperature-dependent current-voltage characteristics depict a non-ideal hole-blocking behaviour of the same. In addition, the measured barrier height is found to decrease with temperature and does not follow the thermionic emission theory, strongly suggesting an inhomogeneous nature of the barrier. The observed barrier inhomogeneity is attributed to the nanoscale height modulation, arising due to the growth dynamics of TiO2 and corroborates well with the KPFM map. The presented results will open a new avenue to understand the charge transport in TiO2-based nanoscale devices.

Growth and development in children with classic congenital adrenal hyperplasia.

PubMed

Bonfig, Walter

2017-02-01

Final height outcome in classic congenital adrenal hyperplasia (CAH) has been of interest for many years. With analysis of growth patterns and used glucocorticoid regimens, enhanced treatment strategies have been developed and are still under development. Most of the current reports on final height outcome are confirmative of previous results. Final height data is still reported in cohorts that were diagnosed clinically and not by newborn screening. Clinical diagnosis of CAH leads to delayed diagnosis especially of simple virilizing CAH with significantly advanced bone age resulting in early pubertal development and reduced final height. In contrast salt-wasting CAH is diagnosed at an earlier stage in most cases resulting in better final height outcome in some cohorts. Nevertheless, final height outcome in patients with CAH treated with glucocorticoids is lower than the population norm and also at the lower end of genetic potential. Achievement of regular adult height is still a challenge with conventional glucocorticoid treatment in patients with CAH, which is why new hydrocortisone formulations and new treatment options for CAH are underway.

Carrier Transport and Effective Barrier Height of Low Resistance Metal Contact to Highly Mg-Doped p-GaN

NASA Astrophysics Data System (ADS)

Park, Youngjun; Kim, Hyunsoo

2011-08-01

The effective barrier height and carrier transport mechanism of low resistance Ag-based contact to highly Mg-doped p-GaN were investigated. The specific contact resistance obtained was as low as 7.0×10-4 Ω cm2. The electrical resistivity of p-GaN was found to increase depending on ˜T-1/4, indicating variable-range hopping (VRH) conduction through Mg-related deep-level defects. Based on the VRH conduction model, the effective barrier height for carrier transport could be measured as 0.12 eV, which is low enough to explain the formation of excellent ohmic contact. The deep-level defects were also found to induce surface Fermi pinning.

The dynamical conductance of graphene tunnelling structures.

PubMed

Zhang, Huan; Chan, K S; Lin, Zijing

2011-12-16

The dynamical conductances of graphene tunnelling structures were numerically calculated using the scattering matrix method with the interaction effect included in a phenomenological approach. The overall single-barrier dynamical conductance is capacitative. Transmission resonances in the single-barrier structure lead to dips in the capacitative imaginary part of the response. This is different from the ac responses of typical semiconductor nanostructures, where transmission resonances usually lead to inductive peaks. The features of the dips depend on the Fermi energy. When the Fermi energy is below half of the barrier height, the dips are sharper. When the Fermi energy is higher than half of the barrier height, the dips are broader. Inductive behaviours can be observed in a double-barrier structure due to the resonances formed by reflection between the two barriers.

Room temperature current-voltage (I-V) characteristics of Ag/InGaN/n-Si Schottky barrier diode

NASA Astrophysics Data System (ADS)

Erdoğan, Erman; Kundakçı, Mutlu

2017-02-01

Metal-semiconductors (MSs) or Schottky barrier diodes (SBDs) have a significant potential in the integrated device technology. In the present paper, electrical characterization of Ag/InGaN/n-Si Schottky diode have been systematically carried out by simple Thermionic method (TE) and Norde function based on the I-V characteristics. Ag ohmic and schottky contacts are deposited on InGaN/n-Si film by thermal evaporation technique under a vacuum pressure of 1×10-5 mbar. Ideality factor, barrier height and series resistance values of this diode are determined from I-V curve. These parameters are calculated by TE and Norde methods and findings are given in a comparetive manner. The results show the consistency for both method and also good agreement with other results obtained in the literature. The value of ideality factor and barrier height have been determined to be 2.84 and 0.78 eV at room temperature using simple TE method. The value of barrier height obtained with Norde method is calculated as 0.79 eV.

Nanoscale Electronics from a Molecular Perspective

DTIC Science & Technology

2012-01-19

Cyclohexanethiolate Self-Assembled Monolayers with Local Barrier Height Imaging, Journal of Physical Chemistry C, (07 2011): 0. doi: 2012/01/05 20:34:27...accepted for publication in the Journal of Physical Chemistry-C regarding the adsorption, ordering, and local work function measurements for...cyclohexanethiol on Au(111): Unveiling Molecular Adsorption Geometry in Cyclohexanethiolate Self-Assembled Monolayers with Local Barrier Height Imaging

Tunable reverse-biased graphene/silicon heterojunction Schottky diode sensor.

PubMed

Singh, Amol; Uddin, Ahsan; Sudarshan, Tangali; Koley, Goutam

2014-04-24

A new chemical sensor based on reverse-biased graphene/Si heterojunction diode has been developed that exhibits extremely high bias-dependent molecular detection sensitivity and low operating power. The device takes advantage of graphene's atomically thin nature, which enables molecular adsorption on its surface to directly alter graphene/Si interface barrier height, thus affecting the junction current exponentially when operated in reverse bias and resulting in ultrahigh sensitivity. By operating the device in reverse bias, the work function of graphene, and hence the barrier height at the graphene/Si heterointerface, can be controlled by the bias magnitude, leading to a wide tunability of the molecular detection sensitivity. Such sensitivity control is also possible by carefully selecting the graphene/Si heterojunction Schottky barrier height. Compared to a conventional graphene amperometric sensor fabricated on the same chip, the proposed sensor demonstrated 13 times higher sensitivity for NO₂ and 3 times higher for NH₃ in ambient conditions, while consuming ∼500 times less power for same magnitude of applied voltage bias. The sensing mechanism based on heterojunction Schottky barrier height change has been confirmed using capacitance-voltage measurements. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fusion barrier characteristics of actinides

NASA Astrophysics Data System (ADS)

Manjunatha, H. C.; Sridhar, K. N.

2018-03-01

We have studied fusion barrier characteristics of actinide compound nuclei with atomic number range 89 ≤ Z ≤ 103 for all projectile target combinations. After the calculation of fusion barrier heights and positions, we have searched for their parameterization. We have achieved the empirical formula for fusion barrier heights (VB), positions (RB), curvature of the inverted parabola (ħω) of actinide compound nuclei with atomic number range 89 ≤ Z ≤ 103 for all projectile target combinations (6

Temperature dependent electrical characteristics of Zn/ZnSe/n-GaAs/In structure

NASA Astrophysics Data System (ADS)

Sağlam, M.; Güzeldir, B.

2016-04-01

We have reported a study of the I-V characteristics of Zn/ZnSe/n-GaAs/In sandwich structure in a wide temperature range of 80-300 K by a step of 20 K, which are prepared by Successive Ionic Layer Adsorption and Reaction (SILAR) method. The main electrical parameters, such as ideality factor and zero-bias barrier height determined from the forward bias I-V characteristics were found strongly depend on temperature and when the increased, the n decreased with increasing temperature. The ideality factor and barrier height values as a function of the sample temperature have been attributed to the presence of the lateral inhomogeneities of the barrier height. Furthermore, the series resistance have been calculated from the I-V measurements as a function of temperature dependent.

Barrier heights, polarization switching, and electrical fatigue in Pb(Zr,Ti)O3 ceramics with different electrodes

NASA Astrophysics Data System (ADS)

Chen, Feng; Schafranek, Robert; Wachau, André; Zhukov, Sergey; Glaum, Julia; Granzow, Torsten; von Seggern, Heinz; Klein, Andreas

2010-11-01

The influence of Pt, tin-doped In2O3, and RuO2 electrodes on the electrical fatigue of bulk ceramic Pb(Zr,Ti)O3 (PZT) has been studied. Schottky barrier heights at the ferroelectric/electrode interfaces vary by more than one electronvolt for different electrode materials and do not depend on crystallographic orientation of the interface. Despite different barrier heights, hysteresis loops of polarization, strain, permittivity, and piezoelectric constant and the switching kinetics are identical for all electrodes. A 20% reduction in polarization after 106 bipolar cycles is observed for all the samples. In contrast to PZT thin films, the loss of remanent polarization with bipolar switching cycles does not significantly depend on the electrode material.

G3X-K theory: A composite theoretical method for thermochemical kinetics

NASA Astrophysics Data System (ADS)

da Silva, Gabriel

2013-02-01

A composite theoretical method for accurate thermochemical kinetics, G3X-K, is described. This method is accurate to around 0.5 kcal mol-1 for barrier heights and 0.8 kcal mol-1 for enthalpies of formation. G3X-K is a modification of G3SX theory using the M06-2X density functional for structures and zero-point energies and parameterized for a test set of 223 heats of formation and 23 barrier heights. A reduced perturbation-order variant, G3X(MP3)-K, is also developed, providing around 0.7 kcal mol-1 accuracy for barrier heights and 0.9 kcal mol-1 accuracy for enthalpies, at reduced computational cost. Some opportunities to further improve Gn composite methods are identified and briefly discussed.

Viscoelastic subdiffusion: from anomalous to normal.

PubMed

Goychuk, Igor

2009-10-01

We study viscoelastic subdiffusion in bistable and periodic potentials within the generalized Langevin equation approach. Our results justify the (ultra)slow fluctuating rate view of the corresponding bistable non-Markovian dynamics which displays bursting and anticorrelation of the residence times in two potential wells. The transition kinetics is asymptotically stretched exponential when the potential barrier V0 several times exceeds thermal energy k(B)T [V(0) approximately (2-10)k(B)T] and it cannot be described by the non-Markovian rate theory (NMRT). The well-known NMRT result approximates, however, ever better with the increasing barrier height, the most probable logarithm of the residence times. Moreover, the rate description is gradually restored when the barrier height exceeds a fuzzy borderline which depends on the power-law exponent of free subdiffusion alpha . Such a potential-free subdiffusion is ergodic. Surprisingly, in periodic potentials it is not sensitive to the barrier height in the long time asymptotic limit. However, the transient to this asymptotic regime is extremally slow and it does profoundly depend on the barrier height. The time scale of such subdiffusion can exceed the mean residence time in a potential well or in a finite spatial domain by many orders of magnitude. All these features are in sharp contrast with an alternative subdiffusion mechanism involving jumps among traps with the divergent mean residence time in these traps.

Time dependent changes in Schottky barrier mapping of the W/Si(001) interface utilizing ballistic electron emission microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Durcan, Chris A.; Balsano, Robert; LaBella, Vincent P., E-mail: vlabella@albany.edu

2015-06-28

The W/Si(001) Schottky barrier height is mapped to nanoscale dimensions using ballistic electron emission microscopy (BEEM) over a period of 21 days to observe changes in the interface electrostatics. Initially, the average spectrum is fit to a Schottky barrier height of 0.71 eV, and the map is uniform with 98% of the spectra able to be fit. After 21 days, the average spectrum is fit to a Schottky barrier height of 0.62 eV, and the spatial map changes dramatically with only 27% of the spectra able to be fit. Transmission electron microscopy shows the formation of an ultra-thin tungsten silicide at themore » interface, which increases in thickness over the 21 days. This increase is attributed to an increase in electron scattering and the changes are observed in the BEEM measurements. Interestingly, little to no change is observed in the I-V measurements throughout the 21 day period.« less

Characterization technique for inhomogeneous 4H-SiC Schottky contacts: A practical model for high temperature behavior

NASA Astrophysics Data System (ADS)

Brezeanu, G.; Pristavu, G.; Draghici, F.; Badila, M.; Pascu, R.

2017-08-01

In this paper, a characterization technique for 4H-SiC Schottky diodes with varying levels of metal-semiconductor contact inhomogeneity is proposed. A macro-model, suitable for high-temperature evaluation of SiC Schottky contacts, with discrete barrier height non-uniformity, is introduced in order to determine the temperature interval and bias domain where electrical behavior of the devices can be described by the thermionic emission theory (has a quasi-ideal performance). A minimal set of parameters, the effective barrier height and peff, the non-uniformity factor, is associated. Model-extracted parameters are discussed in comparison with literature-reported results based on existing inhomogeneity approaches, in terms of complexity and physical relevance. Special consideration was given to models based on a Gaussian distribution of barrier heights on the contact surface. The proposed methodology is validated by electrical characterization of nickel silicide Schottky contacts on silicon carbide (4H-SiC), where a discrete barrier distribution can be considered. The same method is applied to inhomogeneous Pt/4H-SiC contacts. The forward characteristics measured at different temperatures are accurately reproduced using this inhomogeneous barrier model. A quasi-ideal behavior is identified for intervals spanning 200 °C for all measured Schottky samples, with Ni and Pt contact metals. A predictable exponential current-voltage variation over at least 2 orders of magnitude is also proven, with a stable barrier height and effective area for temperatures up to 400 °C. This application-oriented characterization technique is confirmed by using model parameters to fit a SiC-Schottky high temperature sensor's response.

Current-voltage characteristics of the semiconductor nanowires under the metal-semiconductor-metal structure

NASA Astrophysics Data System (ADS)

Wen, Jing; Zhang, Xitian; Gao, Hong; Wang, Mingjiao

2013-12-01

We present a method to calculate the I-V characteristics of semiconductor nanowires under the metal-semiconductor-metal (MSM) structure. The carrier concentration as an important parameter is introduced into the expression of the current. The subband structure of the nanowire has been considered for associating it with the position of the Fermi level and circumventing the uncertainties of the contact areas in the contacts. The tunneling and thermionic emission currents in the two Schottky barriers at the two metal-semiconductor contacts are discussed. We find that the two barriers have different influences on the I-V characteristics of the MSM structure, one of which under the forward bias plays the role of threshold voltage if its barrier height is large and the applied voltage is small, and the other under the reverse bias controls the shapes of I-V curves. Our calculations show that the shapes of the I-V curves for the MSM structure are mainly determined by the barrier heights of the contacts and the carrier concentration. The nearly identical I-V characteristics can be obtained by using different values of the barrier heights and carrier concentration, which means that the contact type conversion can be ascribed not only to the changes of the barrier heights but also that of the carrier concentration. We also discuss the mechanisms of the ohmic-Schottky conversions and clarify the ambiguity in the literature. The possibility about the variation of the carrier concentration under the applied fields has been confirmed by experimental results.

Study of barrier height and trap centers of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contacts by current-voltage (I-V) characteristics and deep level transient spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yapeng; Fu, Li, E-mail: fuli@nwpu.edu.cn; Sun, Jie

2015-02-28

The temperature-dependent electrical characteristics of the Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contact have been studied at the temperature range of 140 K–315 K. Based on the thermionic emission theory, the ideality factor and Schottky barrier height were calculated to decrease and increase from 3.18 to 1.88 and 0.39 eV to 0.5 eV, respectively, when the temperature rose from 140 K to 315 K. This behavior was interpreted by the lateral inhomogeneities of Schottky barrier height at the interface of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} contact, which was shown by the plot of zero-bias barrier heights Φ{sub bo} versus q/2kT. Meanwhile, it was found that the Schottky barriermore » height with a Gaussian distribution was 0.67 eV and the standard deviation σ{sub 0} was about 0.092 eV, indicating that the uneven distribution of barrier height at the interface region. In addition, the mean value of Φ{sup ¯}{sub b0} and modified Richardson constant was determined to be 0.723 eV and 62.8 A/cm{sup 2}K{sup 2} from the slope and intercept of the ln(I{sub o}/T{sup 2}) – (qσ{sub 0}{sup 2}/2k{sup 2}T{sup 2}) versus q/kT plot, respectively. Finally, two electron trap centers were observed at the interface of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contact by means of deep level transient spectroscopy.« less

Tracking the Effect of Adatom Electronegativity on Systematically Modified AlGaN/GaN Schottky Interfaces.

PubMed

Reiner, Maria; Pietschnig, Rudolf; Ostermaier, Clemens

2015-10-21

The influence of surface modifications on the Schottky barrier height for gallium nitride semiconductor devices is frequently underestimated or neglected in investigations thereof. We show that a strong dependency of Schottky barrier heights for nickel/aluminum-gallium nitride (0001) contacts on the surface terminations exists: a linear correlation of increasing barrier height with increasing electronegativity of superficial adatoms is observed. The negatively charged adatoms compete with the present nitrogen over the available gallium (or aluminum) orbital to form an electrically improved surface termination. The resulting modification of the surface dipoles and hence polarization of the surface termination causes observed band bending. Our findings suggest that the greatest Schottky barrier heights are achieved by increasing the concentration of the most polarized fluorine-gallium (-aluminum) bonds at the surface. An increase in barrier height from 0.7 to 1.1 eV after a 15% fluorine termination is obtained with ideality factors of 1.10 ± 0.05. The presence of surface dipoles that are changing the surface energy is proven by the sessile drop method as the electronegativity difference and polarization influences the contact angle. The extracted decrease in the Lifshitz-van-der-Waals component from 48.8 to 40.4 mJ/m(2) with increasing electronegativity and concentration of surface adatoms confirms the presence of increasing surface dipoles: as the polarizability of equally charged anions decreases with increasing electronegativity, the diiodomethane contact angles increase significantly from 14° up to 39° after the 15% fluorine termination. Therefore, a linear correlation between increasing anion electronegativity of the (Al)GaN termination and total surface energy within a 95% confidence interval is obtained. Furthermore, our results reveal a generally strong Lewis basicity of (Al)GaN surfaces explaining the high chemical inertness of the surfaces.

Gate-controlled tunneling of quantum Hall edge states in bilayer graphene

NASA Astrophysics Data System (ADS)

Zhu, Jun; Li, Jing; Wen, Hua

Controlled tunneling of integer and fractional quantum Hall edge states provides a powerful tool to probe the physics of 1D systems and exotic particle statistics. Experiments in GaAs 2DEGs employ either a quantum point contact or a line junction tunnel barrier. It is generally difficult to independently control the filling factors νL and νR on the two sides of the barrier. Here we show that in bilayer graphene both νL and νR as well as their Landau level structures can be independently controlled using a dual-split-gate structure. In addition, the height of the line-junction tunnel barrier implemented in our experiments is tunable via a 5th gate. By measuring the tunneling resistance across the junction RT we examine the equilibration of the edge states in a variety of νL/νR scenarios and under different barrier heights. Edge states from both sides are fully mixed in the case of a low barrier. As the barrier height increases, we observe plateaus in RT that correspond to sequential complete backscattering of edge states. Gate-controlled manipulation of edge states offers a new angle to the exploration of quantum Hall magnetism and fractional quantum Hall effect in bilayer graphene.

Physical aspects of colossal dielectric constant material CaCu3Ti4O12 thin films

NASA Astrophysics Data System (ADS)

Deng, Guochu; He, Zhangbin; Muralt, Paul

2009-04-01

The underlying physical mechanism of the so-called colossal dielectric constant phenomenon in CaCu3Ti4O12 (CCTO) thin films were investigated by using semiconductor theories and methods. The semiconductivity of CCTO thin films originated from the acceptor defect at a level ˜90 meV higher than valence band. Two contact types, metal-semiconductor and metal-insulator-semiconductor junctions, were observed and their barrier heights, and impurity concentrations were theoretically calculated. Accordingly, the Schottky barrier height of metal-semiconductor contact is about 0.8 eV, and the diffusion barrier height of metal-insulator-semiconductor contact is about 0.4-0.7 eV. The defect concentrations of both samples are quite similar, of the magnitude of 1019 cm-3, indicating an inherent feature of high defect concentration.

Quantum and classical ripples in graphene

NASA Astrophysics Data System (ADS)

Hašík, Juraj; Tosatti, Erio; MartoÅák, Roman

2018-04-01

Thermal ripples of graphene are well understood at room temperature, but their quantum counterparts at low temperatures are in need of a realistic quantitative description. Here we present atomistic path-integral Monte Carlo simulations of freestanding graphene, which show upon cooling a striking classical-quantum evolution of height and angular fluctuations. The crossover takes place at ever-decreasing temperatures for ever-increasing wavelengths so that a completely quantum regime is never attained. Zero-temperature quantum graphene is flatter and smoother than classical graphene at large scales yet rougher at short scales. The angular fluctuation distribution of the normals can be quantitatively described by coexistence of two Gaussians, one classical strongly T -dependent and one quantum about 2° wide, of zero-point character. The quantum evolution of ripple-induced height and angular spread should be observable in electron diffraction in graphene and other two-dimensional materials, such as MoS2, bilayer graphene, boron nitride, etc.

Simulations of "tunnelling of the 3rd kind"

NASA Astrophysics Data System (ADS)

Mou, Zong-Gang; Saffin, Paul M.; Tognarelli, Paul; Tranberg, Anders

2017-07-01

We consider the phenomenon of "tunnelling of the 3rd kind" [1], whereby a magnetic field may traverse a classically impenetrable barrier by pair creation of unimpeded quantum fermions. These propagate through the barrier and generate a magnetic field on the other side. We study this numerically using quantum fermions coupled to a classical Higgs-gauge system, where we set up a magnetic field outside a box shielded by two superconducting barriers. We examine the magnitude of the internal magnetic field, and find agreement with existing perturbative results within a factor of two.

Very low Schottky barrier height at carbon nanotube and silicon carbide interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inaba, Masafumi, E-mail: inaba-ma@ruri.waseda.jp; Suzuki, Kazuma; Shibuya, Megumi

2015-03-23

Electrical contacts to silicon carbide with low contact resistivity and high current durability are crucial for future SiC power devices, especially miniaturized vertical-type devices. A carbon nanotube (CNT) forest formed by silicon carbide (SiC) decomposition is a densely packed forest, and is ideal for use as a heat-dissipative ohmic contact in SiC power transistors. The contact resistivity and Schottky barrier height in a Ti/CNT/SiC system with various SiC dopant concentrations were evaluated in this study. Contact resistivity was evaluated in relation to contact area. The Schottky barrier height was calculated from the contact resistivity. As a result, the Ti/CNT/SiC contactmore » resistivity at a dopant concentration of 3 × 10{sup 18 }cm{sup −3} was estimated to be ∼1.3 × 10{sup −4} Ω cm{sup 2} and the Schottky barrier height of the CNT/SiC contact was in the range of 0.40–0.45 eV. The resistivity is relatively low for SiC contacts, showing that CNTs have the potential to be a good ohmic contact material for SiC power electronic devices.« less

Process for preparing schottky diode contacts with predetermined barrier heights

DOEpatents

Chang, Y. Austin; Jan, Chia-Hong; Chen, Chia-Ping

1996-01-01

A process is provided for producing a Schottky diode having a preselected barrier height .phi..sub.Bn. The substrate is preferably n-GaAs, the metallic contact is derived from a starting alloy of the Formula [.SIGMA.M.sub..delta. ](Al.sub.x Ga.sub.1-x) wherein: .SIGMA.M is a moiety which consists of at least one M, and when more than one M is present, each M is different, M is a Group VIII metal selected from the group consisting of nickel, cobalt, ruthenium, rhodium, indium and platinum, .delta. is a stoichiometric coefficient whose total value in any given .SIGMA.M moiety is 1, and x is a positive number between 0 and 1 (that is, x ranges from greater than 0 to less than 1). Also, the starting alloy is capable of forming with the substrate a two phase equilibrium reciprocal system of the binary alloy mixture [.SIGMA.M.sub..delta. ]Ga-[.SIGMA.M.sub..delta. ]Al-AlAs-GaAs. When members of an alloy subclass within this Formula are each preliminarily correlated with the barrier height .phi..sub.Bn of a contact producable therewith, then Schottky diodes of predetermined barrier heights are producable by sputtering and annealing. Further provided are the product Schottky diodes that are produced according to this process.

The substitution reaction of (CNC)Fe-2N₂ with CO.

PubMed

Liu, Hongyan; Liu, Shuangshuang; Zhang, Xiang

2013-06-01

The substitution mechanism of two N₂ ligands in (CNC)Fe-2N₂ replaced by CO was studied theoretically at the B3LYP/LACVP* level. Both SN1 and SN₂ mechanisms were considered. The calculated results for the gas phase suggested that: 1) in SN1 mechanism, N₂ elimination, which involves S₀-T₁ PESs crossing, is the rate control step for both substitution stages. The barrier heights are 9.7 kcal mol(-1) and 13.05 kcal mol(-1), respectively. 2) In SN2 mechanism, the calculated barrier heights on LS PES are respectively 13.7 and 19.83 kcal mol(-1) for the two substitution steps, but S₀-T₁ PESs crossing lowers the two barriers to 10.7 and 15.7 kcal mol(-1), respectively. 3) Inclusion of solvation effect of THF by PCM model, the relative energies of all the key species (including minima, transition states and S₀-T₁ crossing points) do not have great difference from their gas phase relative energies. Considering that for each substitution step, SN1 barrier heights is slightly smaller than SN2 barrier, SN1 mechanism seems to be slightly preferable to SN2 mechanism.

Roadside barrier effectiveness : noise measurement program

DOT National Transportation Integrated Search

1978-04-01

A field noise measurement program was conducted to assess the performance of a variable height highway noise barrier with and without an acoustic lining material. The barrier site on Interstate I-93 in Andover MA was located adjacent to an acoustical...

Insulation Resistance Degradation in Ni-BaTiO3 Multilayer Ceramic Capacitors

NASA Technical Reports Server (NTRS)

Liu, Donhang (David)

2015-01-01

Insulation resistance (IR) degradation in Ni-BaTiO3 multilayer ceramic capacitors has been characterized by the measurement of both time to failure and direct-current (DC) leakage current as a function of stress time under highly accelerated life test conditions. The measured leakage current-time dependence data fit well to an exponential form, and a characteristic growth time ?SD can be determined. A greater value of tau(sub SD) represents a slower IR degradation process. Oxygen vacancy migration and localization at the grain boundary region results in the reduction of the Schottky barrier height and has been found to be the main reason for IR degradation in Ni-BaTiO3 capacitors. The reduction of barrier height as a function of time follows an exponential relation of phi (??)=phi (0)e(exp -2?t), where the degradation rate constant ??=??o??(????/????) is inversely proportional to the mean time to failure (MTTF) and can be determined using an Arrhenius plot. For oxygen vacancy electromigration, a lower barrier height phi(0) will favor a slow IR degradation process, but a lower phi(0) will also promote electronic carrier conduction across the barrier and decrease the insulation resistance. As a result, a moderate barrier height phi(0) (and therefore a moderate IR value) with a longer MTTF (smaller degradation rate constant ??) will result in a minimized IR degradation process and the most improved reliability in Ni-BaTiO3 multilayer ceramic capacitors.

Insulation Resistance Degradation in Ni-BaTiO3 Multilayer Ceramic Capacitors

NASA Technical Reports Server (NTRS)

Liu, Donhang David

2015-01-01

Insulation resistance (IR) degradation in NiBaTiO3 multilayer ceramic capacitors has been characterized by the measurement of both time to failure (TTF) and direct current leakage current as a function of stress time under highly accelerated life test conditions. The measured leakage current time dependence data fit well to an exponential form, and a characteristic growth time tau (sub SD) can be determined. A greater value of tau (sub SD) represents a slower IR degradation process. Oxygen vacancy migration and localization at the grain boundary region results in the reduction of the Schottky barrier height and has been found to be the main reason for IR degradation in NiBaTiO3 capacitors. The reduction of barrier height as a function oftime follows an exponential relation of phi (t ) = phi (0) e (exp -2Kt), where 13 the degradation rate constant K Koe (Ek/kT) is inversely proportional to the mean TTF (MTTF) and can be determined using an Arrhenius plot. For oxygen vacancy electromigration, a lower barrier height phi (0) will favor a slow IR degradation process, but a lower phi (0) will also promote electronic carrier conduction across the barrier and decrease the IR. As a result, a moderate barrier height phi (0) (and therefore a moderate IR value) with a longer MTTF (smaller degradation rate constant K) will result in a minimized IR degradation process and the most improved reliability in NiBaTiO3 multilayer ceramic capacitors.

Using a Bayesian network to predict barrier island geomorphologic characteristics

USGS Publications Warehouse

Gutierrez, Ben; Plant, Nathaniel G.; Thieler, E. Robert; Turecek, Aaron

2015-01-01

Quantifying geomorphic variability of coastal environments is important for understanding and describing the vulnerability of coastal topography, infrastructure, and ecosystems to future storms and sea level rise. Here we use a Bayesian network (BN) to test the importance of multiple interactions between barrier island geomorphic variables. This approach models complex interactions and handles uncertainty, which is intrinsic to future sea level rise, storminess, or anthropogenic processes (e.g., beach nourishment and other forms of coastal management). The BN was developed and tested at Assateague Island, Maryland/Virginia, USA, a barrier island with sufficient geomorphic and temporal variability to evaluate our approach. We tested the ability to predict dune height, beach width, and beach height variables using inputs that included longer-term, larger-scale, or external variables (historical shoreline change rates, distances to inlets, barrier width, mean barrier elevation, and anthropogenic modification). Data sets from three different years spanning nearly a decade sampled substantial temporal variability and serve as a proxy for analysis of future conditions. We show that distinct geomorphic conditions are associated with different long-term shoreline change rates and that the most skillful predictions of dune height, beach width, and beach height depend on including multiple input variables simultaneously. The predictive relationships are robust to variations in the amount of input data and to variations in model complexity. The resulting model can be used to evaluate scenarios related to coastal management plans and/or future scenarios where shoreline change rates may differ from those observed historically.

A three-dimensional semianalytical model of hydraulic fracture growth through weak barriers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luiskutty, C.T.; Tomutes, L.; Palmer, I.D.

1989-08-01

The goal of this research was to develop a fracture model for length/height ratio {le}4 that includes 2D flow (and a line source corresponding to the perforated interval) but makes approximations that allow a semianalytical solution, with large computer-time savings over the fully numerical mode. The height, maximum width, and pressure at the wellbore in this semianalytical model are calculated and compared with the results of the fully three-dimensional (3D) model. There is reasonable agreement in all parameters, the maximum discrepancy being 24%. Comparisons of fracture volume and leakoff volume also show reasonable agreement in volume and fluid efficiencies. Themore » values of length/height ratio, in the four cases in which agreement is found, vary from 1.5 to 3.7. The model offers a useful first-order (or screening) calculation of fracture-height growth through weak barriers (e.g., low stress contrasts). When coupled with the model developed for highly elongated fractures of length/height ratio {ge}4, which are also found to be in basic agreement with the fully numerical model, this new model provides the capability for approximating fracture-height growth through barriers for vertical fracture shapes that vary from penny to highly elongated. The computer time required is estimated to be less than the time required for the fully numerical model by a factor of 10 or more.« less

Electron transfer from a carbon nanotube into vacuum under high electric fields

NASA Astrophysics Data System (ADS)

Filip, L. D.; Smith, R. C.; Carey, J. D.; Silva, S. R. P.

2009-05-01

The transfer of an electron from a carbon nanotube (CNT) tip into vacuum under a high electric field is considered beyond the usual one-dimensional semi-classical approach. A model of the potential energy outside the CNT cap is proposed in order to show the importance of the intrinsic CNT parameters such as radius, length and vacuum barrier height. This model also takes into account set-up parameters such as the shape of the anode and the anode-to-cathode distance, which are generically portable to any modelling study of electron emission from a tip emitter. Results obtained within our model compare well to experimental data. Moreover, in contrast to the usual one-dimensional Wentzel-Kramers-Brillouin description, our model retains the ability to explain non-standard features of the process of electron field emission from CNTs that arise as a result of the quantum behaviour of electrons on the surface of the CNT.

Direct ab initio dynamics study of the reaction of C 2(A 3Π u) radical with C 2H 6

NASA Astrophysics Data System (ADS)

Li, Na; Huo, Rui-Ping; Zhang, Xiang; Huang, Xu-Ri; Li, Ji-Lai; Sun, Chia-Chung

2011-02-01

The reaction of C 2 (A 3Π u) with C 2H 6 has been investigated at the BMC-CCSD//BB1K/6-311+G(2d, 2p) level. The classical barrier height for H-abstraction reaction is calculated to be 3.32 kcal/mol and the electron transfer behavior is also analyzed in detail. The rate constants are calculated by TST, CVT, and CVT/SCT over a wide temperature range 50-3000 K. The results indicate: (1) variational effect is small and nonclassical reflection effect is important to the H abstraction in high temperature region; and (2) variational effect is negligible and tunneling effect cooperating with the nonclassical reflection effect makes the rate constant temperature independence in low-temperature range. The CVT/SCT rate constants are in excellent agreement with experimental values.

An antithetic variate to facilitate upper-stem height measurements for critical height sampling with importance sampling

Treesearch

Thomas B. Lynch; Jeffrey H. Gove

2013-01-01

Critical height sampling (CHS) estimates cubic volume per unit area by multiplying the sum of critical heights measured on trees tallied in a horizontal point sample (HPS) by the HPS basal area factor. One of the barriers to practical application of CHS is the fact that trees near the field location of the point-sampling sample point have critical heights that occur...

Steric, Quantum, and Electrostatic Effects on SN2 Reaction Barriers in Gas Phase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Shubin; Hu, Hao; Pedersen, Lee G.

2010-05-13

Biomolecular nucleophilic substitution reactions, S{sub N}2, are fundamental and commonplace in chemistry. It is the well-documented experimental finding in the literature that vicinal substitution with bulkier groups near the reaction center significantly slows the reaction due to steric hindrance, but theoretical understanding in the quantitative manner about factors dictating the S{sub N}2 reaction barrier height is still controversial. In this work, employing the new quantification approach that we recently proposed for the steric effect from the density functional theory framework, we investigate the relative contribution of three independent effects—steric, electrostatic, and quantum—to the S{sub N}2 barrier heights in gas phasemore » for substituted methyl halide systems, R{sub 1}R{sub 2}R{sub 3}CX, reacting with the fluorine anion, where R{sub 1}, R{sub 2}, and R{sub 3} denote substituting groups and X = F or Cl. We found that in accordance with the experimental finding, for these systems, the steric effect dominates the transition state barrier, contributing positively to barrier heights, but this contribution is largely compensated by the negative, stabilizing contribution from the quantum effect due to the exchange-correlation interactions. Moreover, we find that it is the component from the electrostatic effect that is linearly correlated with the S{sub N}2 barrier height for the systems investigated in the present study. In addition, we compared our approach with the conventional method of energy decomposition in density functional theory as well as examined the steric effect from the wave function theory for these systems via natural bond orbital analysis.« less

Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics.

PubMed

Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura

2015-01-13

Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.

Comment on Chem. Phys. Lett. 371 (2003) 568: Barrier height for dissociation of acetaldehyde, CH 3CHO → CH 3 + HCO, in the triplet state T 1

NASA Astrophysics Data System (ADS)

Robert Huber, J.

2003-08-01

Based on recently reported experimental results from various groups, the barrier height (or transition state energy) for the T 1 dissociation of acetaldehyde, CH 3CHO → CH 3 + HCO, is determined to lie between 12.3 and 12.9 kcal mol -1. This result is compared with predictions from recent ab initio calculations.

Fission properties of Po isotopes in different macroscopic-microscopic models

NASA Astrophysics Data System (ADS)

Bartel, J.; Pomorski, K.; Nerlo-Pomorska, B.; Schmitt, Ch

2015-11-01

Fission-barrier heights of nuclei in the Po isotopic chain are investigated in several macroscopic-microscopic models. Using the Yukawa-folded single-particle potential, the Lublin-Strasbourg drop (LSD) model, the Strutinsky shell-correction method to yield the shell corrections and the BCS theory for the pairing contributions, fission-barrier heights are calculated and found in quite good agreement with the experimental data. This turns out, however, to be only the case when the underlying macroscopic, liquid-drop (LD) type, theory is well chosen. Together with the LSD approach, different LD parametrizations proposed by Moretto et al are tested. Four deformation parameters describing respectively elongation, neck-formation, reflectional-asymmetric, and non-axiality of the nuclear shape thus defining the so called modified Funny Hills shape parametrization are used in the calculation. The present study clearly demonstrates that nuclear fission-barrier heights constitute a challenging and selective tool to discern between such different macroscopic approaches.

Spatial inhomogeneous barrier heights at graphene/semiconductor Schottky junctions

NASA Astrophysics Data System (ADS)

Tomer, Dushyant

Graphene, a semimetal with linear energy dispersion, forms Schottky junction when interfaced with a semiconductor. This dissertation presents temperature dependent current-voltage and scanning tunneling microscopy/spectroscopy (STM/S) measurements performed on graphene Schottky junctions formed with both three and two dimensional semiconductors. To fabricate Schottky junctions, we transfer chemical vapor deposited monolayer graphene onto Si- and C-face SiC, Si, GaAs and MoS2 semiconducting substrates using polymer assisted chemical method. We observe three main type of intrinsic spatial inhomogeneities, graphene ripples, ridges and semiconductor steps in STM imaging that can exist at graphene/semiconductor junctions. Tunneling spectroscopy measurements reveal fluctuations in graphene Dirac point position, which is directly related to the Schottky barrier height. We find a direct correlation of Dirac point variation with the topographic undulations of graphene ripples at the graphene/SiC junction. However, no such correlation is established at graphene/Si and Graphene/GaAs junctions and Dirac point variations are attributed to surface states and trapped charges at the interface. In addition to graphene ripples and ridges, we also observe atomic scale moire patterns at graphene/MoS2 junction due to van der Waals interaction at the interface. Periodic topographic modulations due to moire pattern do not lead to local variation in graphene Dirac point, indicating that moire pattern does not contribute to fluctuations in electronic properties of the heterojunction. We perform temperature dependent current-voltage measurements to investigate the impact of topographic inhomogeneities on electrical properties of the Schottky junctions. We observe temperature dependence in junction parameters, such as Schottky barrier height and ideality factor, for all types of Schottky junctions in forward bias measurements. Standard thermionic emission theory which assumes a perfect smooth interface fails to explain such behavior, hence, we apply a modified emission theory with Gaussian distribution of Schottky barrier heights. The modified theory, applicable to inhomogeneous interfaces, explains the temperature dependent behavior of our Schottky junctions and gives a temperature independent mean barrier height. We attribute the inhomogeneous barrier height to the presence of graphene ripples and ridges in case of SiC and MoS2 while surface states and trapped charges at the interface is dominating in Si and GaAs. Additionally, we observe bias dependent current and barrier height in reverse bias regime also for all Schottky junctions. To explain such behavior, we consider two types of reverse bias conduction mechanisms; Poole-Frenkel and Schottky emission. We find that Poole-Frenkel emission explains the characteristics of graphene/SiC junctions very well. However, both the mechanism fails to interpret the behavior of graphene/Si and graphene/GaAs Schottky junctions. These findings provide insight into the fundamental physics at the interface of graphene/semiconductor junctions.

Predicting fear of heights, snakes, and public speaking from multimodal classical conditioning events.

PubMed

Wu, Ning Ying; Conger, Anthony J; Dygdon, Judith A

2006-04-01

Two hundred fifty one men and women participated in a study of the prediction of fear of heights, snakes, and public speaking by providing retrospective accounts of multimodal classical conditioning events involving those stimuli. The fears selected for study represent those believed by some to be innate (i.e., heights), prepared (i.e., snakes), and purely experientially learned (i.e., public speaking). This study evaluated the extent to which classical conditioning experiences in direct, observational, and verbal modes contributed to the prediction of the current level of fear severity. Subjects were asked to describe their current level of fear and to estimate their experience with fear response-augmenting events (first- and higher-order aversive pairings) and fear response-moderating events (first- and higher-order appetitive pairings, and pre- and post-conditioning neutral presentations) in direct, observational, and verbal modes. For each stimulus, fear was predictable from direct response-augmenting events and prediction was enhanced by the inclusion of response-moderating events. Furthermore, for each fear, maximum prediction was attained by the addition of variables tapping experiences in the observational and/or verbal modes. Conclusions are offered regarding the importance of including response-augmenting and response-moderating events in all three modes in both research and clinical applications of classical conditioning.

Zonal wavefront reconstruction in quadrilateral geometry for phase measuring deflectometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Lei; Xue, Junpeng; Gao, Bo

2017-06-14

There are wide applications for zonal reconstruction methods in slope-based metrology due to its good capability of reconstructing the local details on surface profile. It was noticed in the literature that large reconstruction errors occur when using zonal reconstruction methods designed for rectangular geometry to process slopes in a quadrilateral geometry, which is a more general geometry with phase measuring deflectometry. In this paper, we present a new idea for the zonal methods for quadrilateral geometry. Instead of employing the intermediate slopes to set up height-slope equations, we consider the height increment as a more general connector to establish themore » height-slope relations for least-squares regression. The classical zonal methods and interpolation-assisted zonal methods are compared with our proposal. Results of both simulation and experiment demonstrate the effectiveness of the proposed idea. In implementation, the modification on the classical zonal methods is addressed. Finally, the new methods preserve many good aspects of the classical ones, such as the ability to handle a large incomplete slope dataset in an arbitrary aperture, and the low computational complexity comparable with the classical zonal method. Of course, the accuracy of the new methods is much higher when integrating the slopes in quadrilateral geometry.« less

Barrier height modification and mechanism of carrier transport in Ni/in situ grown Si3N4/n-GaN Schottky contacts

NASA Astrophysics Data System (ADS)

Karpov, S. Y.; Zakheim, D. A.; Lundin, W. V.; Sakharov, A. V.; Zavarin, E. E.; Brunkov, P. N.; Lundina, E. Y.; Tsatsulnikov, A. F.

2018-02-01

In situ growth of an ultra-thin (up to 2.5 nm) Si3N4 film on the top of n-GaN is shown to reduce remarkably the height of the barrier formed by deposition of Ni-based Schottky contact. The reduction is interpreted in terms of polarization dipole induced at the Si3N4/n-GaN interface and Fermi level pinning at the Ni/Si3N4 interface. Detailed study of temperature-dependent current-voltage characteristics enables identification of the electron transport mechanism in such Schottky diodes under forward bias: thermal/field electron emission over the barrier formed in n-GaN followed by tunneling through the Si3N4 film. At reverse bias and room temperature, the charge transfer is likely controlled by Poole-Frenkel ionization of deep traps in n-GaN. Tunneling exponents at forward and reverse biases and the height of the Ni/Si3N4 Schottky barrier are evaluated experimentally and compared with theoretical predictions.

Electrical properties of nano-resistors made from the Zr-doped HfO2 high-k dielectric film

NASA Astrophysics Data System (ADS)

Zhang, Shumao; Kuo, Yue

2018-03-01

Electrical properties of nano-sized resistors made from the breakdown of the metal-oxide-semiconductor capacitor composed of the amorphous high-k gate dielectric have been investigated under different stress voltages and temperatures. The effective resistance of nano-resistors in the device was estimated from the I-V curve in the high voltage range. It decreased with the increase of the number of resistors. The resistance showed complicated temperature dependence, i.e. it neither behaves like a conductor nor a semiconductor. In the low voltage operation range, the charge transfer was controlled by the Schottky barrier at the nano-resistor/Si interface. The barrier height decreased with the increase of stress voltage, which was probably caused by the change of the nano-resistor composition. Separately, it was observed that the barrier height was dependent on the temperature, which was probably due to the dynamic nano-resistor formation process and the inhomogeneous barrier height distribution. The unique electrical characteristics of this new type of nano-resistors are important for many electronic and optoelectronic applications.

Assessing theoretical uncertainties in fission barriers of superheavy nuclei

DOE PAGES

Agbemava, S. E.; Afanasjev, A. V.; Ray, D.; ...

2017-05-26

Here, theoretical uncertainties in the predictions of inner fission barrier heights in superheavy elements have been investigated in a systematic way for a set of state-of-the-art covariant energy density functionals which represent major classes of the functionals used in covariant density functional theory. They differ in basic model assumptions and fitting protocols. Both systematic and statistical uncertainties have been quantified where the former turn out to be larger. Systematic uncertainties are substantial in superheavy elements and their behavior as a function of proton and neutron numbers contains a large random component. The benchmarking of the functionals to the experimental datamore » on fission barriers in the actinides allows to reduce the systematic theoretical uncertainties for the inner fission barriers of unknown superheavy elements. However, even then they on average increase on moving away from the region where benchmarking has been performed. In addition, a comparison with the results of non-relativistic approaches is performed in order to define full systematic theoretical uncertainties over the state-of-the-art models. Even for the models benchmarked in the actinides, the difference in the inner fission barrier height of some superheavy elements reaches $5-6$ MeV. This uncertainty in the fission barrier heights will translate into huge (many tens of the orders of magnitude) uncertainties in the spontaneous fission half-lives.« less

A Numerical Comparison of Barrier and Modified Barrier Methods for Large-Scale Bound-Constrained Optimization

NASA Technical Reports Server (NTRS)

Nash, Stephen G.; Polyak, R.; Sofer, Ariela

1994-01-01

When a classical barrier method is applied to the solution of a nonlinear programming problem with inequality constraints, the Hessian matrix of the barrier function becomes increasingly ill-conditioned as the solution is approached. As a result, it may be desirable to consider alternative numerical algorithms. We compare the performance of two methods motivated by barrier functions. The first is a stabilized form of the classical barrier method, where a numerically stable approximation to the Newton direction is used when the barrier parameter is small. The second is a modified barrier method where a barrier function is applied to a shifted form of the problem, and the resulting barrier terms are scaled by estimates of the optimal Lagrange multipliers. The condition number of the Hessian matrix of the resulting modified barrier function remains bounded as the solution to the constrained optimization problem is approached. Both of these techniques can be used in the context of a truncated-Newton method, and hence can be applied to large problems, as well as on parallel computers. In this paper, both techniques are applied to problems with bound constraints and we compare their practical behavior.

Stability diagrams for the surface patterns of GaN(0001bar) as a function of Schwoebel barrier height

NASA Astrophysics Data System (ADS)

Krzyżewski, Filip; Załuska-Kotur, Magdalena A.

2017-01-01

Height and type of Schwoebel barriers (direct or inverse) decides about the character of the surface instability. Different surface morphologies are presented. Step bunches, double steps, meanders, mounds and irregular patterns emerge at the surface as a result of step (Schwoebel) barriers at some temperature or miscut values. The study was carried out on the two-component kinetic Monte Carlo (kMC) model of GaN(0001bar) surface grown in nitrogen rich conditions. Diffusion of gallium adatoms over N-polar surface is slow and nitrogen adatoms are almost immobile. We show that in such conditions surfaces remain smooth when gallium adatoms diffuse in the presence of low inverse Schwoebel barrier. It is illustrated by adequate stability diagrams for surface morphologies.

Tree diversity in relation to tree height: alternative perspectives.

PubMed

Givnish, Thomas J

2017-03-01

Marks et al. (Ecol. Lett., 19, 2016, 743-751) show that tree diversity increases with tree height in North America and argue it reflects habitat 'suitability'. This finding conflicts with classical results, lacks controls for covariates of tree height, and can be explained alternatively using the modified Janzen-Connell effect and regional variance in habitats. © 2017 John Wiley & Sons Ltd/CNRS.

Fabrication of single Ga-doped ZnS nanowires as high-gain photosensors by focused ion beam deposition

NASA Astrophysics Data System (ADS)

Yen, Shih-Hsiang; Hung, Yu-Chen; Yeh, Ping-Hung; Su, Ya-Wen; Wang, Chiu-Yen

2017-09-01

ZnS nanowires were synthesized via a vapor-liquid-solid mechanism and then fabricated into a single-nanowire field-effect transistor by focused ion beam (FIB) deposition. The field-effect electrical properties of the FIB-fabricated ZnS nanowire device, namely conductivity, mobility and hole concentration, were 9.13 Ω-1 cm-1, 13.14 cm2 V-1 s-1and 4.27 × 1018 cm-3, respectively. The photoresponse properties of the ZnS nanowires were studied and the current responsivity, current gain, response time and recovery time were 4.97 × 106 A W-1, 2.43 × 107, 9 s and 24 s, respectively. Temperature-dependent I-V measurements were used to analyze the interfacial barrier height between ZnS and the FIB-deposited Pt electrode. The results show that the interfacial barrier height is as low as 40 meV. The energy-dispersive spectrometer elemental line scan shows the influence of Ga ions on the ZnS nanowire surface on the FIB-deposited Pt contact electrodes. The results of temperature-dependent I-V measurements and the elemental line scan indicate that Ga ions were doped into the ZnS nanowire, reducing the barrier height between the FIB-deposited Pt electrodes and the single ZnS nanowire. The small barrier height results in the FIB-fabricated ZnS nanowire device acting as a high-gain photosensor.

Assessing Controls on the Geometry and Dimensions of Modern Barrier Islands

NASA Astrophysics Data System (ADS)

Mulhern, J.; Johnson, C. L.; Martin, J. M.

2015-12-01

Barrier islands are highly ephemeral features, shaped by wave, tide, and storm energy. The processes that govern the size, shape, and motion of barrier islands are not well constrained, yet central to coastal dynamics. While the global distribution of barrier islands has been mapped and assessed, there is little consensus on the forces controlling barrier island formation, motion, or preservation. This study presents a new semi-global database of modern barrier islands to better understand their morphology and spatial distribution. We have mapped, in Google Earth, the subaerial extent of >350 barrier islands and spits, measuring spatial characteristic such as exposed area, perimeter, length, and width. These objects are cross-referenced with parameters that potentially control morphology, including tidal range, wave height, climate, distance from the continental shelf, proximity to fluvial output, and tectonic setting. This approach provides a more optimal framework to assess controls on coastal features, including barrier island morphology, and to investigate potential geometric scaling relationships. Preliminary analysis shows trends in the spatial characteristics of barrier islands. There is a strong linear relationship between the perimeter and length (y= -0.59 + 0.42x, R2=0.95). Linear trends also relate length to area when the data are separated by tidal range to wave height ratio. Assessment of barrier island shape supports the hypothesis of Hayes (1979) that barrier islands in wave-dominated settings are long and linear while those in mixed energy setting are more rounded. The barrier islands of the Texas Gulf of Mexico are larger than the global average for the database, with distinctly longer length values (41.16 km vs. 15.77 km respectively) and larger areas (103.81 km2 vs. 42.14 km2 respectively). Initial assessment shows that tidal range and wave height are primary controls barrier island dimensions. Future work will consider climate, latitude, fluvial input, and tectonic regime as additional factors. Assessing modern barrier islands will lend insight into potential paleomorphodynamic relationships and help determine how islands are transferred into the rock record, with implications for sequence stratigraphy, subsurface reservoirs, etc.

Ideal proportions in full face front view, contemporary versus antique.

PubMed

Mommaerts, M Y; Moerenhout, B A M M L

2011-03-01

To compare the facial proportions of contemporary harmonious faces with those of antiquity, to validate classical canons and to determine new ones useful in orthofacial surgery planning. Contemporary beautiful faces were retrieved from yearly polls of People Magazine and FHM. Selected B/W frontal facial photographs of 31 men and 74 women were ranked by 20 patients who had to undergo orthofacial surgery. The top-15 female faces and the top-10 male faces were analyzed with Scion Image software. The classical facial index, the Bruges facial index, the ratio lower facial height/total facial height and the vertical tri-partite of the lower face were calculated. The same analysis was done on pictures of classical sculptures representing seven goddesses and 12 gods. Harmonious contemporary female faces have a significantly lower classical facial index, indicating that facial height is less or facial width is larger than in male and even than in antique female faces. The Bruges index indicates a similar difference between ideal contemporary female and male faces. The contemporary male has a higher lower face (48%) compared to total facial height than the contemporary female (45%), although this is statistically not significant (P=0.08). The lower facial thirds index remained quite stabile for 2500 years, without gender difference. A good canon for both sexes today is stomion-gnathion being 70% of subnasale-stomion. The average ideal contemporary female face is shorter than the male face, given the fact that interpupillary distance is similar. The Vitruvian thirds in the lower face have to be adjusted to a 30% upper lip, 70% lower lip-chin proportion. The contemporary ideal ratios are suitable to be implemented in an orthofacial planning concept. Copyright © 2010 European Association for Cranio-Maxillo-Facial Surgery. Published by Elsevier Ltd. All rights reserved.

Computational study of energy filtering effects in one-dimensional composite nano-structures

NASA Astrophysics Data System (ADS)

Kim, Raseong; Lundstrom, Mark S.

2012-01-01

Possibilities to improve the Seebeck coefficient S versus electrical conductance G trade-off of diffusive composite nano-structures are explored using an electro-thermal simulation framework based on the non-equilibrium Green's function method for quantum electron transport and the lattice heat diffusion equation. We examine the role of the grain size d, potential barrier height ΦB, grain doping, and the lattice thermal conductivity κL using a one-dimensional model structure. For a uniform κL, simulation results show that the power factor of a composite structure may be improved over bulk with the optimum ΦB being about kBT, where kB and T are the Boltzmann constant and the temperature, respectively. An optimum ΦB occurs because the current flow near the Fermi level is not obstructed too much while S still improves due to barriers. The optimum grain size dopt is significantly longer than the momentum relaxation length λp so that G is not seriously degraded due to the barriers, and dopt is comparable to or somewhat larger than the energy relaxation length λE so that the carrier energy is not fully relaxed within the grain and |S| remains high. Simulation results also show that if κL in the barrier region is smaller than in the grain, S and power factor are further improved. In such cases, the optimum ΦB and dopt increase, and the power factor may improve even for ΦB (d) significantly higher (longer) than kBT (λE). We find that the results from this quantum mechanical approach are readily understood using a simple, semi-classical model.

Shear-transformation-zone theory of linear glassy dynamics.

PubMed

Bouchbinder, Eran; Langer, J S

2011-06-01

We present a linearized shear-transformation-zone (STZ) theory of glassy dynamics in which the internal STZ transition rates are characterized by a broad distribution of activation barriers. For slowly aging or fully aged systems, the main features of the barrier-height distribution are determined by the effective temperature and other near-equilibrium properties of the configurational degrees of freedom. Our theory accounts for the wide range of relaxation rates observed in both metallic glasses and soft glassy materials such as colloidal suspensions. We find that the frequency-dependent loss modulus is not just a superposition of Maxwell modes. Rather, it exhibits an α peak that rises near the viscous relaxation rate and, for nearly jammed, glassy systems, extends to much higher frequencies in accord with experimental observations. We also use this theory to compute strain recovery following a period of large, persistent deformation and then abrupt unloading. We find that strain recovery is determined in part by the initial barrier-height distribution, but that true structural aging also occurs during this process and determines the system's response to subsequent perturbations. In particular, we find by comparison with experimental data that the initial deformation produces a highly disordered state with a large population of low activation barriers, and that this state relaxes quickly toward one in which the distribution is dominated by the high barriers predicted by the near-equilibrium analysis. The nonequilibrium dynamics of the barrier-height distribution is the most important of the issues raised and left unresolved in this paper.

The barrier to ice nucleation in monatomic water

NASA Astrophysics Data System (ADS)

Prestipino, Santi

2018-03-01

Crystallization from a supercooled liquid initially proceeds via the formation of a small solid embryo (nucleus), which requires surmounting an activation barrier. This phenomenon is most easily studied by numerical simulation, using specialized biased-sampling techniques to overcome the limitations imposed by the rarity of nucleation events. Here, I focus on the barrier to homogeneous ice nucleation in supercooled water, as represented by the monatomic-water model, which in the bulk exhibits a complex interplay between different ice structures. I consider various protocols to identify solidlike particles on a computer, which perform well enough for the Lennard-Jones model, and compare their respective impact on the shape and height of the nucleation barrier. It turns out that the effect is stronger on the nucleus size than on the barrier height. As a by-product of the analysis, I determine the structure of the nucleation cluster, finding that the relative amount of ice phases in the cluster heavily depends on the method used for classifying solidlike particles. Moreover, the phase which is most favored during the earlier stages of crystallization may happen, depending on the nucleation coordinate adopted, to be different from the stable polymorph. Therefore, the quality of a reaction coordinate cannot be assessed simply on the basis of the barrier height obtained. I explain how this outcome is possible and why it just points out the shortcoming of collective variables appropriate to simple fluids in providing a robust method of particle classification for monatomic water.

Edge-induced Schottky barrier modulation at metal contacts to exfoliated molybdenum disulfide flakes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nouchi, Ryo, E-mail: r-nouchi@21c.osakafu-u.ac.jp

2016-08-14

Ultrathin two-dimensional semiconductors obtained from layered transition-metal dichalcogenides such as molybdenum disulfide (MoS{sub 2}) are promising for ultimately scaled transistors beyond Si. Although the shortening of the semiconductor channel is widely studied, the narrowing of the channel, which should also be important for scaling down the transistor, has been examined to a lesser degree thus far. In this study, the impact of narrowing on mechanically exfoliated MoS{sub 2} flakes was investigated according to the channel-width-dependent Schottky barrier heights at Cr/Au contacts. Narrower channels were found to possess a higher Schottky barrier height, which is ascribed to the edge-induced band bendingmore » in MoS{sub 2}. The higher barrier heights degrade the transistor performance as a higher electrode-contact resistance. Theoretical analyses based on Poisson's equation showed that the edge-induced effect can be alleviated by a high dopant impurity concentration, but this strategy should be limited to channel widths of roughly 0.7 μm because of the impurity-induced charge-carrier mobility degradation. Therefore, proper termination of the dangling bonds at the edges should be necessary for aggressive scaling with layered semiconductors.« less

Monolayer graphene/SiC Schottky barrier diodes with improved barrier height uniformity as a sensing platform for the detection of heavy metals

PubMed Central

Eriksson, Jens; Khranovskyy, Volodymyr; Iakimov, Tihomir; Lloyd Spetz, Anita; Yakimova, Rositsa

2016-01-01

A vertical diode structure comprising homogeneous monolayer epitaxial graphene on silicon carbide is fabricated by thermal decomposition of a Si-face 4H-SiC wafer in argon atmosphere. Current–voltage characteristics of the graphene/SiC Schottky junction were analyzed by applying the thermionic-emission theory. Extracted values of the Schottky barrier height and the ideality factor are found to be 0.4879 ± 0.013 eV and 1.01803 ± 0.0049, respectively. Deviations of these parameters from average values are smaller than those of previously observed literature data, thereby implying uniformity of the Schottky barrier height over the whole diode area, a stable rectifying behaviour and a good quality of ohmic palladium–graphene contacts. Keeping in mind the strong sensitivity of graphene to analytes we propose the possibility to use the graphene/SiC Schottky diode as a sensing platform for the recognition of toxic heavy metals. Using density functional theory (DFT) calculations we gain insight into the nature of the interaction of cadmium, mercury and lead with graphene as well as estimate the work function and the Schottky barrier height of the graphene/SiC structure before and after applying heavy metals to the sensing material. A shift of the I–V characteristics of the graphene/SiC-based sensor has been proposed as an indicator of presence of the heavy metals. Since the calculations suggested the strongest charge transfer between Pb and graphene, the proposed sensing platform was characterized by good selectivity towards lead atoms and slight interferences from cadmium and mercury. The dependence of the sensitivity parameters on the concentration of Cd, Hg and Pb is studied and discussed. PMID:28144530

Monolayer graphene/SiC Schottky barrier diodes with improved barrier height uniformity as a sensing platform for the detection of heavy metals.

PubMed

Shtepliuk, Ivan; Eriksson, Jens; Khranovskyy, Volodymyr; Iakimov, Tihomir; Lloyd Spetz, Anita; Yakimova, Rositsa

2016-01-01

A vertical diode structure comprising homogeneous monolayer epitaxial graphene on silicon carbide is fabricated by thermal decomposition of a Si-face 4H-SiC wafer in argon atmosphere. Current-voltage characteristics of the graphene/SiC Schottky junction were analyzed by applying the thermionic-emission theory. Extracted values of the Schottky barrier height and the ideality factor are found to be 0.4879 ± 0.013 eV and 1.01803 ± 0.0049, respectively. Deviations of these parameters from average values are smaller than those of previously observed literature data, thereby implying uniformity of the Schottky barrier height over the whole diode area, a stable rectifying behaviour and a good quality of ohmic palladium-graphene contacts. Keeping in mind the strong sensitivity of graphene to analytes we propose the possibility to use the graphene/SiC Schottky diode as a sensing platform for the recognition of toxic heavy metals. Using density functional theory (DFT) calculations we gain insight into the nature of the interaction of cadmium, mercury and lead with graphene as well as estimate the work function and the Schottky barrier height of the graphene/SiC structure before and after applying heavy metals to the sensing material. A shift of the I - V characteristics of the graphene/SiC-based sensor has been proposed as an indicator of presence of the heavy metals. Since the calculations suggested the strongest charge transfer between Pb and graphene, the proposed sensing platform was characterized by good selectivity towards lead atoms and slight interferences from cadmium and mercury. The dependence of the sensitivity parameters on the concentration of Cd, Hg and Pb is studied and discussed.

Analysis of photoconductive mechanisms of organic-on-inorganic photodiodes

NASA Astrophysics Data System (ADS)

Ocaya, R. O.; Dere, A.; Al-Sehemi, Abdullah G.; Al-Ghamdi, Ahmed A.; Soylu, M.; Yakuphanoglu, F.

2017-09-01

In this work, it is shown that choosing an organic-on-inorganic Schottky diode for photoconductive sensing by a using a power law exponent (PLE or γ) determined at a single bias point is a limited approach. The standard literature approach does not highlight any bias voltage effects on the distribution of interface state density and other operationally important parameters. In this paper we suggest a new empirical method that holistically highlights the variation of γ with voltage, irradiance and temperature to reach a more informed choice of photosensor for real applications. We obtain a simple, plausible relation of the variation of barrier height, Φ, with voltage, irradiance and temperature. The method is evaluated with data collected previously for Schottky diodes of structure Al/p-Si/organic-semiconductor (OSC)/Au, where OSC is Coumarin-doped with graphene oxide (GO), Cobalt Phthacyanine (CoPC) doped with GO or PCBM doped with GO, respectively. The method reproduces published data for the three diodes reported at specific bias and provides for the first time some qualitative evidence of barrier height variation with light intensity, for which a possible physical basis is also given. Typically, Schottky barrier height is characterized using dark current leading to an under reporting of the effect of illumination on barrier height. Finally, since recombination mechanisms are gauged on the basis of the magnitude of PLE, the method facilitates the identification of the recombination mechanism at a given bias.

Computer simulation of the classical entanglement of U-shaped particles in three dimensions

NASA Astrophysics Data System (ADS)

Maddock, Brian; Lindner, John

2014-03-01

Classical entanglement is important in a wide range of phenomena, such as velcro hook-and-loop-fasteners, seed dispersal by animal fur, and bent liquid crystal molecules. We present a computer simulation of the entanglement of U-shaped particles in three dimensions. We represent the particles by phenomenological potentials and evolve them by integrating Newton's laws of motion. We drop them into a virtual cylinder, shake them, and ultimately release the cylinder. As the particle piles relax, we quantify their entanglement by the exponential decay times of their heights, which we correlate to the particles' height-to-length ratios.

Distributions of methyl group rotational barriers in polycrystalline organic solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beckmann, Peter A., E-mail: pbeckman@brynmawr.edu, E-mail: wangxianlong@uestc.edu.cn; Conn, Kathleen G.; Division of Education and Human Services, Neumann University, One Neumann Drive, Aston, Pennsylvania 19014-1298

We bring together solid state {sup 1}H spin-lattice relaxation rate measurements, scanning electron microscopy, single crystal X-ray diffraction, and electronic structure calculations for two methyl substituted organic compounds to investigate methyl group (CH{sub 3}) rotational dynamics in the solid state. Methyl group rotational barrier heights are computed using electronic structure calculations, both in isolated molecules and in molecular clusters mimicking a perfect single crystal environment. The calculations are performed on suitable clusters built from the X-ray diffraction studies. These calculations allow for an estimate of the intramolecular and the intermolecular contributions to the barrier heights. The {sup 1}H relaxation measurements,more » on the other hand, are performed with polycrystalline samples which have been investigated with scanning electron microscopy. The {sup 1}H relaxation measurements are best fitted with a distribution of activation energies for methyl group rotation and we propose, based on the scanning electron microscopy images, that this distribution arises from molecules near crystallite surfaces or near other crystal imperfections (vacancies, dislocations, etc.). An activation energy characterizing this distribution is compared with a barrier height determined from the electronic structure calculations and a consistent model for methyl group rotation is developed. The compounds are 1,6-dimethylphenanthrene and 1,8-dimethylphenanthrene and the methyl group barriers being discussed and compared are in the 2–12 kJ mol{sup −1} range.« less

Solitary wave runup and force on a vertical barrier

NASA Astrophysics Data System (ADS)

Liu, Philip L.-F.; Al-Banaa, Khaled

2004-04-01

In this paper we investigate the interaction between a solitary wave and a thin vertical barrier. A set of laboratory experiments was performed with different values of incident wave height to water depth ratio, H/h, and the draught of the barrier to water depth ratio, D/h. While wave gauges were used to measure the reflected and transmitted waves, pressure transducers were installed on both sides of the barrier, enabling the calculation of wave force. The particle image velocimetry (PIV) technique is also employed to measure the velocity field in the vicinity of the barrier. A numerical model, based on the Reynolds-averaged Navier Stokes (RANS) equations and the k - epsilon turbulence closure model, was first checked with experimental data and then employed to obtain additional results for the range of parameters where the laboratory experiments were not performed. Using both experimental data and numerical results, formulae for the maximum runup height, and the maximum wave force are derived in terms of H/h and D/h.

Taking-On: A Grounded Theory of Addressing Barriers in Task Completion

ERIC Educational Resources Information Center

Austinson, Julie Ann

2011-01-01

This study of taking-on was conducted using classical grounded theory methodology (Glaser, 1978, 1992, 1998, 2001, 2005; Glaser & Strauss, 1967). Classical grounded theory is inductive, empirical, and naturalistic; it does not utilize manipulation or constrained time frames. Classical grounded theory is a systemic research method used to generate…

Proton Transfer and Low-Barrier Hydrogen Bonding: a Shifting Vibrational Landscape Dictated by Large Amplitude Tunneling

NASA Astrophysics Data System (ADS)

Vealey, Zachary; Foguel, Lidor; Vaccaro, Patrick

2017-06-01

Our fundamental understanding of synergistic hydrogen-bonding and proton-transfer phenomena has been advanced immensely by studies of model systems in which the coherent transduction of hydrons is mediated by two degenerate equilibrium configurations that are isolated from one another by a potential barrier of substantial height. This topography advantageously affords unambiguous signatures for the underlying state-resolved dynamics in the form of tunneling-induced spectral bifurcations, the magnitudes of which encode both the overall efficacy and the detailed mechanism of the unimolecular transformation. As a prototypical member of this class of compounds, 6-hydroxy-2-formylfulvene (HFF) supports an unusual quasi-linear O-H...O \\leftrightarrow O...H-O reaction coordinate that presents a minimal impediment to proton migration - a situation commensurate with the concepts of low-barrier hydrogen bonding (which are characterized by great strength, short distance, and a vanishingly small barrier for hydron migration). A variety of fluorescence-based, laser-spectroscopic probes have been deployed in a cold supersonic free-jet expansion to explore the vibrational landscape and anomalously large tunneling-induced shifts that dominate the ˜{X}^{1}A_{1} potential-energy surface of HFF, thus revealing the most rapid proton tunneling ever reported for a molecular ground state (τ_{pt}≤120fs). The surprising efficiency of such tunneling-mediated processes stems from proximity of the zero-point level to the barrier crest and produces a dramatic alteration in the canonical pattern of vibrational features that reflects, in part, the subtle transition from quantum-mechanical barrier penetration to classical over-the-barrier dynamics. The ultrafast proton-transfer regime that characterizes the ˜{X}^{1}A_{1} manifold will be juxtaposed against analogous findings for the lowest-lying singlet excited state ˜{A}^{1}B_{2} (π*←π), where a marked change in the nature of the reaction coordinate leads to the near-complete quenching of proton transfer. Experimental results, as well as complementary quantum-chemical analyses, will be discussed and contrasted with those obtained for related hydron-migration systems in an effort to highlight the unique bonding motifs and reaction propensities evinced by HFF.

CURRENT-VOLTAGE CHARACTERISTICS OF THERMALLY ANNEALED Ni/n-GaAs SCHOTTKY CONTACTS

NASA Astrophysics Data System (ADS)

Yildirim, Nezir; Turut, Abdulmecit; Dogan, Hulya

The Schottky barrier type Ni/n-GaAs contacts fabricated by us were thermally annealed at 600∘C and 700∘C for 1min. The apparent barrier height Φap and ideality factor of the diodes were calculated from the forward bias current-voltage characteristic in 60-320K range. The Φap values for the nonannealed and 600∘C and 700∘C annealed diodes were obtained as 0.80, 0.81 and 0.67eV at 300K, respectively. Thus, it has been concluded that the reduced barrier due to the thermal annealing at 700∘C promises some device applications. The current preferentially flows through the lowest barrier height (BH) with the temperature due to the BH inhomogeneities. Therefore, it was seen that the Φap versus (2kT)‑1 plots for the nonannealed and annealed diodes showed the linear behavior according to Gaussian distributions.

Barrier inhomogeneities at vertically stacked graphene-based heterostructures.

PubMed

Lin, Yen-Fu; Li, Wenwu; Li, Song-Lin; Xu, Yong; Aparecido-Ferreira, Alex; Komatsu, Katsuyoshi; Sun, Huabin; Nakaharai, Shu; Tsukagoshi, Kazuhito

2014-01-21

The integration of graphene and other atomically flat, two-dimensional materials has attracted much interest and been materialized very recently. An in-depth understanding of transport mechanisms in such heterostructures is essential. In this study, vertically stacked graphene-based heterostructure transistors were manufactured to elucidate the mechanism of electron injection at the interface. The temperature dependence of the electrical characteristics was investigated from 300 to 90 K. In a careful analysis of current-voltage characteristics, an unusual decrease in the effective Schottky barrier height and increase in the ideality factor were observed with decreasing temperature. A model of thermionic emission with a Gaussian distribution of barriers was able to precisely interpret the conduction mechanism. Furthermore, mapping of the effective Schottky barrier height is unmasked as a function of temperature and gate voltage. The results offer significant insight for the development of future layer-integration technology based on graphene-based heterostructures.

Thermoelectric properties of nano-granular indium-tin-oxide within modified electron filtering model with chemisorption-type potential barriers

NASA Astrophysics Data System (ADS)

Brinzari, V.; Nika, D. L.; Damaskin, I.; Cho, B. K.; Korotcenkov, G.

2016-07-01

In this work, an approach to the numerical study of the thermoelectric parameters of nanoscale indium tin oxide (ITO, Sn content<10 at%) based on an electron filtering model (EFM) was developed. Potential barriers at grain boundaries were assumed to be responsible for a filtering effect. In the case of the dominant inelastic scattering of electrons, the maximal distance between potential barriers was limited in this modified model. The algorithm for such characteristic length calculation was proposed, and its value was evaluated for ITO. In addition, the contributions of different scattering mechanisms (SMs) in electron transport were examined. It was confirmed that in bulk ITO, the scattering on polar optical phonons (POPs) and ionized impurities dominates, limiting electron transport. In the framework of the filtering model, the basic thermoelectric parameters (i.e., electrical conductivity, mobility, Seebeck coefficient, and power factor (PF)) were calculated for ITO in the temperature range of 100-500 °C as a function of potential barrier height. The results demonstrated a sufficient rise of the Seebeck coefficient with an increase in barrier height and specific behavior of PF. It was found that PF is very sensitive to barrier height, and at its optimal value for granular ITO, it may exceed the PF for bulk ITO by 3-5 times. The PF maximum was achieved by band bending, slightly exceeding Fermi energy. The nature of surface potential barriers in nano-granular ITO with specific grains is due to the oxygen chemisorption effect, and this can be observed despite of the degeneracy of the conduction band (CB). This hypothesis and the corresponding calculations are in good agreement with recent experimental studies [Brinzari et al. Thin Solid Films 552 (2014) 225].

Enhanced Thermionic Emission and Low 1/f Noise in Exfoliated Graphene/GaN Schottky Barrier Diode.

PubMed

Kumar, Ashutosh; Kashid, Ranjit; Ghosh, Arindam; Kumar, Vikram; Singh, Rajendra

2016-03-01

Temperature-dependent electrical transport characteristics of exfoliated graphene/GaN Schottky diodes are investigated and compared with conventional Ni/GaN Schottky diodes. The ideality factor of graphene/GaN and Ni/GaN diodes are measured to be 1.33 and 1.51, respectively, which is suggestive of comparatively higher thermionic emission current in graphene/GaN diode. The barrier height values for graphene/GaN diode obtained using thermionic emission model and Richardson plots are found to be 0.60 and 0.72 eV, respectively, which are higher than predicted barrier height ∼0.40 eV as per the Schottky-Mott model. The higher barrier height is attributed to hole doping of graphene due to graphene-Au interaction which shifts the Fermi level in graphene by ∼0.3 eV. The magnitude of flicker noise of graphene/GaN Schottky diode increases up to 175 K followed by its decrease at higher temperatures. This indicates that diffusion currents and barrier inhomogeneities dominate the electronic transport at lower and higher temperatures, respectively. The exfoliated graphene/GaN diode is found to have lower level of barrier inhomogeneities than conventional Ni/GaN diode, as well as earlier reported graphene/GaN diode fabricated using chemical vapor deposited graphene. The lesser barrier inhomogeneities in graphene/GaN diode results in lower flicker noise by 2 orders of magnitude as compared to Ni/GaN diode. Enhanced thermionic emission current, lower level of inhomogeneities, and reduced flicker noise suggests that graphene-GaN Schottky diodes may have the underlying trend for replacing metal-GaN Schottky diodes.

Liquid junction schottky barrier solar cell

DOEpatents

Williams, Richard

1980-01-01

A mixture of ceric ions (Ce.sup.+4) and cerous ions (Ce.sup.+3) in an aqueous electrolyte solution forms a Schottky barrier at the interface between an active region of silicon and the electrolyte solution. The barrier height obtained for hydrogenated amorphous silicon using the Ce.sup.+4 /Ce.sup.+3 redox couple is about 1.7 eV.

The extent of man from Vitruvius to Marfan.

PubMed

Schott, G D

It is frequently stated that patients with Marfan's syndrome have an arm span greater than height. This implies a characteristic different from the proportions in normal adult man, in whom span and height are often thought to be equal. Such equality of span and height, which allows man to be portrayed within a square, has been a widely held concept, immortalised by Leonardo da Vinci, that dates from the Roman Vitruvius. However, in the past two hundred years, anthropometry has shown that span exceeds height in 59-78% of normal adult white men. Thus not only is the classic concept of equality of span and height generally incorrect, but also a span greater than height cannot be considered characteristic of Marfan's syndrome. Paradoxically, in some affected individuals, Vitruvian equality of height and span may occur.

Effect of copper phthalocyanine thickness on surface morphology, optical and electrical properties of Au/CuPc/n-Si heterojunction

NASA Astrophysics Data System (ADS)

Reddy, P. R. Sekhar; Janardhanam, V.; Jyothi, I.; Harsha, Cirandur Sri; Reddy, V. Rajagopal; Lee, Sung-Nam; Won, Jonghan; Choi, Chel-Jong

2018-02-01

Effects of the thickness of copper phthalocyanine (CuPc) film (2, 5, 10, 15, 20, 30 and 40 nm) on the surface morphology, optical and electrical properties of Au/CuPc/n-Si heterojunction have been investigated. The optical band gap of CuPc film was increased with increase in the thickness of the CuPc film. The electrical properties of the Au/n-Si Schottky junction and Au/CuPc/n-Si heterojunctions were characterized by current-voltage ( I-V) and capacitance-voltage ( C-V) measurements. The barrier height, ideality factor and series resistance were estimated based on the I-V, Cheung's and Norde's methods. The barrier heights increased with increasing CuPc interlayer thickness up to 15 nm and remained constant for thickness above 20 nm, associated with the incapability of the generated carriers to reach the interface. The discrepancy in the barrier heights obtained from I-V and C-V measurements indicates the presence of barrier inhomogeneity at the interface as evidenced by higher ideality factor values. It can be concluded that the electrical properties of Au/n-Si Schottky junction can be significantly altered with the variation of CuPc thickness as interlayer.

Accuracy of AHOF400 with a moment-measuring load cell barrier.

DOT National Transportation Integrated Search

2011-06-13

Several performance measures derived from rigid : barrier crash testing have been proposed to assess : vehicle-to-vehicle crash compatibility. One such : measure, the Average Height of Force 400 (AHOF400) : [1], has been proposed to estimate the heig...

Effect of interfacial composition on Ag-based Ohmic contact of GaN-based vertical light emitting diodes

NASA Astrophysics Data System (ADS)

Wu, Ning; Xiong, Zhihua; Qin, Zhenzhen

2018-02-01

By investigating the effect of a defective interface structure on Ag-based Ohmic contact of GaN-based vertical light-emitting diodes, we found a direct relationship between the interfacial composition and the Schottky barrier height of the Ag(111)/GaN(0001) interface. It was demonstrated that the Schottky barrier height of a defect-free Ag(111)/GaN(0001) interface was 2.221 eV, and it would be dramatically decreased to 0.375 eV with the introduction of one Ni atom and one Ga vacancy at the interface structure. It was found that the tunability of the Schottky barrier height can be attributed to charge accumulations around the interfacial defective regions and an unpinning of the Fermi level, which explains the experimental phenomenon of Ni-assisted annealing improving the p-type Ohmic contact characteristic. Lastly, we propose a new method of using Cu as an assisted metal to realize a novel Ag-based Ohmic contact. These results provide a guideline for the fabrication of high-quality Ag-based Ohmic contact of GaN-based vertical light-emitting diodes.

Schottky Barrier Height Tuning via the Dopant Segregation Technique through Low-Temperature Microwave Annealing.

PubMed

Fu, Chaochao; Zhou, Xiangbiao; Wang, Yan; Xu, Peng; Xu, Ming; Wu, Dongping; Luo, Jun; Zhao, Chao; Zhang, Shi-Li

2016-04-27

The Schottky junction source/drain structure has great potential to replace the traditional p/n junction source/drain structure of the future ultra-scaled metal-oxide-semiconductor field effect transistors (MOSFETs), as it can form ultimately shallow junctions. However, the effective Schottky barrier height (SBH) of the Schottky junction needs to be tuned to be lower than 100 meV in order to obtain a high driving current. In this paper, microwave annealing is employed to modify the effective SBH of NiSi on Si via boron or arsenic dopant segregation. The barrier height decreased from 0.4-0.7 eV to 0.2-0.1 eV for both conduction polarities by annealing below 400 °C. Compared with the required temperature in traditional rapid thermal annealing, the temperature demanded in microwave annealing is ~60 °C lower, and the mechanisms of this observation are briefly discussed. Microwave annealing is hence of high interest to future semiconductor processing owing to its unique capability of forming the metal/semiconductor contact at a remarkably lower temperature.

Schottky Barrier Height Tuning via the Dopant Segregation Technique through Low-Temperature Microwave Annealing

PubMed Central

Fu, Chaochao; Zhou, Xiangbiao; Wang, Yan; Xu, Peng; Xu, Ming; Wu, Dongping; Luo, Jun; Zhao, Chao; Zhang, Shi-Li

2016-01-01

The Schottky junction source/drain structure has great potential to replace the traditional p/n junction source/drain structure of the future ultra-scaled metal-oxide-semiconductor field effect transistors (MOSFETs), as it can form ultimately shallow junctions. However, the effective Schottky barrier height (SBH) of the Schottky junction needs to be tuned to be lower than 100 meV in order to obtain a high driving current. In this paper, microwave annealing is employed to modify the effective SBH of NiSi on Si via boron or arsenic dopant segregation. The barrier height decreased from 0.4–0.7 eV to 0.2–0.1 eV for both conduction polarities by annealing below 400 °C. Compared with the required temperature in traditional rapid thermal annealing, the temperature demanded in microwave annealing is ~60 °C lower, and the mechanisms of this observation are briefly discussed. Microwave annealing is hence of high interest to future semiconductor processing owing to its unique capability of forming the metal/semiconductor contact at a remarkably lower temperature. PMID:28773440

Electron and hole photoemission detection for band offset determination of tunnel field-effect transistor heterojunctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Wei; Key Laboratory for the Physics and Chemistry of Nanodevices and Department of Electronics, Peking University, Beijing 100871; Zhang, Qin

2014-11-24

We report experimental methods to ascertain a complete energy band alignment of a broken-gap tunnel field-effect transistor based on an InAs/GaSb hetero-junction. By using graphene as an optically transparent electrode, both the electron and hole barrier heights at the InAs/GaSb interface can be quantified. For a Al{sub 2}O{sub 3}/InAs/GaSb layer structure, the barrier height from the top of the InAs and GaSb valence bands to the bottom of the Al{sub 2}O{sub 3} conduction band is inferred from electron emission whereas hole emissions reveal the barrier height from the top of the Al{sub 2}O{sub 3} valence band to the bottom ofmore » the InAs and GaSb conduction bands. Subsequently, the offset parameter at the broken gap InAs/GaSb interface is extracted and thus can be used to facilitate the development of predicted models of electron quantum tunneling efficiency and transistor performance.« less

Ab Initio Theoretical Studies on the Kinetics of Hydrogen Abstraction Type Reactions of Hydroxyl Radicals with CH3CCl2F and CH3CClF2

NASA Astrophysics Data System (ADS)

Saheb, Vahid; Maleki, Samira

2018-03-01

The hydrogen abstraction reactions from CH3Cl2F (R-141b) and CH3CClF2 (R-142b) by OH radicals are studied theoretically by semi-classical transition state theory. The stationary points for the reactions are located by using KMLYP density functional method along with 6-311++G(2 d,2 p) basis set and MP2 method along with 6-311+G( d, p) basis set. Single-point energy calculations are performed by the CBS-Q and G4 combination methods on the geometries optimized at the KMLYP/6-311++G(2 d,2 p) level of theory. Vibrational anharmonicity coefficients, x ij , which are needed for semi-classical transition state theory calculations, are computed at the KMLYP/6-311++G(2 d,2 p) and MP2/6-311+G( d, p) levels of theory. The computed barrier heights are slightly sensitive to the quantum-chemical method. Thermal rate coefficients are computed over the temperature range from 200 to 2000 K and they are shown to be in accordance with available experimental data. On the basis of the computed rate coefficients, the tropospheric lifetime of the CH3CCl2F and CH3CClF2 are estimated to be about 6.5 and 12.0 years, respectively.

Negative tunnel magnetoresistance and spin transport in ferromagnetic graphene junctions.

PubMed

Zou, Jianfei; Jin, Guojun; Ma, Yu-Qiang

2009-03-25

We study the tunnel magnetoresistance (TMR) and spin transport in ferromagnetic graphene junctions composed of ferromagnetic graphene (FG) and normal graphene (NG) layers. It is found that the TMR in the FG/NG/FG junction oscillates from positive to negative values with respect to the chemical potential adjusted by the gate voltage in the barrier region when the Fermi level is low enough. Particularly, the conventionally defined TMR in the FG/FG/FG junction oscillates periodically from a positive to negative value with increasing the barrier height at any Fermi level. The spin polarization of the current through the FG/FG/FG junction also has an oscillating behavior with increasing barrier height, whose oscillating amplitude can be modulated by the exchange splitting in the ferromagnetic graphene.

A Simple Explanation of the Classic Hydrostatic Paradox

ERIC Educational Resources Information Center

Kontomaris, Stylianos-Vasileios; Malamou, Anna

2016-01-01

An interesting problem in fluid mechanics, with significant educational importance, is the classic hydrostatic paradox. The hydrostatic paradox states the fact that in different shaped containers, with the same base area, which are filled with a liquid of the same height, the applied force by the liquid on the base of each container is exactly the…

Boltzmann-distribution-equivalent for Lévy noise and how it leads to thermodynamically consistent epicatalysis

NASA Astrophysics Data System (ADS)

Bier, Martin

2018-02-01

Nonequilibrium systems commonly exhibit Lévy noise. This means that the distribution for the size of the Brownian fluctuations has a "fat" power-law tail. Large Brownian kicks are then more common as compared to the ordinary Gaussian distribution. We consider a two-state system, i.e., two wells and a barrier in between. The barrier is sufficiently high for a barrier crossing to be a rare event. When the noise is Lévy, we do not get a Boltzmann distribution between the two wells. Instead we get a situation where the distribution between the two wells also depends on the height of the barrier that is in between. Ordinarily, a catalyst, by lowering the barrier between two states, speeds up the relaxation to an equilibrium, but does not change the equilibrium distribution. In an environment with Lévy noise, on the other hand, we have the possibility of epicatalysis, i.e., a catalyst effectively altering the distribution between two states through the changing of the barrier height. After deriving formulas to quantitatively describe this effect, we discuss how this idea may apply in nuclear reactors and in the biochemistry of a living cell.

Gas phase hydrolysis of formaldehyde to form methanediol: impact of formic acid catalysis.

PubMed

Hazra, Montu K; Francisco, Joseph S; Sinha, Amitabha

2013-11-21

We find that formic acid (FA) is very effective at facilitating diol formation through its ability to reduce the barrier for the formaldehyde (HCHO) hydrolysis reaction. The rate limiting step in the mechanism involves the isomerization of a prereactive collision complex formed through either the HCHO···H2O + FA and/or HCHO + FA···H2O pathways. The present study finds that the effective barrier height, defined as the difference between the zero-point vibrational energy (ZPE) corrected energy of the transition state (TS) and the HCHO···H2O + FA and HCHO + FA···H2O starting reagents, are respectively only ∼1 and ∼4 kcal/mol. These barriers are substantially lower than the ∼17 kcal/mol barrier associated with the corresponding step in the hydrolysis of HCHO catalyzed by a single water molecule (HCHO + H2O + H2O). The significantly lower barrier heights for the formic acid catalyzed pathway reveal a new important role that organic acids play in the gas phase hydrolysis of atmospheric carbonyl compounds.

Characterization of WB/SiC Schottky Barrier Diodes Using I-V-T Method

NASA Astrophysics Data System (ADS)

Aldridge, James; Oder, Tom

2009-04-01

The importance of silicon carbide (SiC) semiconductor for high temperature and high power microelectronic device applications has long been established. We have fabricated SiC Schottky barrier diodes using tungsten boride (WB) as the Schottky contact. The diodes were characterized using the current-voltage-temperature method. The sample was mounted on a heated stage and the temperature varied from about 25 ^oC to 300 ^oC at intervals of 25 ^oC. From the Richardson's plot, we obtained an energy barrier height of 0.96 eV and a Richardson's constant of 71.2 AK-1cm-2. Using the modified Richardson's plot, we obtained a barrier height of 1.01 eV. From the variation of the ideality factor and the temperature, we determined a characteristic energy of 0.02 eV to 0.04 eV across the range of the measurement temperature. This implies that thermionic emission is dominant in the low measurement temperature range. Our results confirm the excellent thermal stability of WB/SiC Schottky barrier diodes.

Evaluation of Schottky barrier height on 4H-SiC m-face \\{ 1\\bar{1}00\\} for Schottky barrier diode wall integrated trench MOSFET

NASA Astrophysics Data System (ADS)

Kobayashi, Yusuke; Ishimori, Hiroshi; Kinoshita, Akimasa; Kojima, Takahito; Takei, Manabu; Kimura, Hiroshi; Harada, Shinsuke

2017-04-01

We proposed an Schottky barrier diode wall integrated trench MOSFET (SWITCH-MOS) for the purposes of shrinking the cell pitch and suppressing the forward degradation of the body diode. A trench Schottky barrier diode (SBD) was integrated into a trench gate MOSFET with a wide shielding p+ region that protected the trench bottoms of both the SBD and the MOS gate from high electrical fields in the off state. The SBD was placed on the trench sidewall of the \\{ 1\\bar{1}00\\} plane (m-face). Static and transient simulations revealed that SWITCH-MOS sufficiently suppressed the bipolar current that induced forward degradation, and we determined that the optimum Schottky barrier height (SBH) was from 0.8 to 2.0 eV. The SBH depends on the crystal planes in 4H-SiC, but the SBH of the m-face was unclear. We fabricated a planar m-face SBD for the first time, and we obtained SBHs from 1.4 to 1.8 eV experimentally with titanium or nickel as a Schottky metal.

Utilizing Schottky barriers to suppress short-channel effects in organic transistors

NASA Astrophysics Data System (ADS)

Fernández, Anton F.; Zojer, Karin

2017-10-01

Transistors with short channel lengths exhibit profound deviations from the ideally expected behavior. One of the undesired short-channel effects is an enlarged OFF current that is associated with a premature turn on of the transistor. We present an efficient approach to suppress the OFF current, defined as the current at zero gate source bias, in short-channel organic transistors. We employ two-dimensional device simulations based on the drift-diffusion model to demonstrate that intentionally incorporating a Schottky barrier for injection enhances the ON-OFF ratio in both staggered and coplanar transistor architectures. The Schottky barrier is identified to directly counteract the origin of enlarged OFF currents: Short channels promote a drain-induced barrier lowering. The latter permits unhindered injection of charges even at reverse gate-source bias. An additional Schottky barrier hampers injection for such points of operations. We explain how it is possible to find the Schottky barrier of the smallest height necessary to exactly compensate for the premature turn on. This approach offers a substantial enhancement of the ON-OFF ratio. We show that this roots in the fact that such optimal barrier heights offer an excellent compromise between an OFF current diminished by orders of magnitude and an only slightly reduced ON current.

Diffusion of One-Dimensional Crystals in Channels of Single-Walled Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Zhigalina, V. G.; Kumskov, A. S.; Falaleev, N. S.; Vasiliev, A. L.; Kiselev, N. A.

2018-05-01

The transport of one-dimensional CuI crystals in channels of single-walled carbon nanotubes (SWCNTs) has been studied by high resolution electron microscopy. The diffusion kinetics has been investigated by counting the number of CuI atoms escaping from the nanotube channel. The diffusivity is calculated to be 6.8 × 10-21 m2/s, which corresponds to an activation-barrier height of 1 eV/atom. A comparison with the theoretically estimated height of the energy barrier for molecular transport through a graphene layer is indicative of mass transfer through vacancy defects in graphene.

Relationship between adult height and body weight and risk of carotid atherosclerosis assessed in terms of carotid intima-media thickness: The Nagasaki Islands study

PubMed Central

2013-01-01

Background Previous studies have reported an inverse association between height and risk of cardiovascular disease. However, evidence is limited for the association between risk of atherosclerosis and height. Further, although the association between atherosclerosis and body mass index (BMI) is reportedly positive, there have been no reports of studies on associations between height and atherosclerosis in relation to BMI. Methods We conducted a cross-sectional study of Japanese men aged 30 to 89 years undergoing general health check-ups. Results Of the 1,337 men, 312 were diagnosed with carotid atherosclerosis (carotid intima-media thickness (CIMT) ≥ 1.1 mm), but no significant association was found between height and carotid atherosclerosis for the entire study group. Stratification by BMI status of those analytical findings disclosed a significant inverse association between height and carotid atherosclerosis among overweight (BMI ≥ 25 kg/m2) but not among non-overweight (BMI < 25 kg/m2) men. The classical cardiovascular risk factors-adjusted odds ratio (OR) and 95% confidence interval (CI) of carotid atherosclerosis for an increment of one SD (standard deviation) in height (6.70 cm) were 0.71 (0.54 to 0.94) for overweight (BMI ≥ 25 kg/m2) and 1.05 (0.87 to 1.27) for non-overweight (BMI < 25 kg/m2) men. Conclusion Independent from classical cardiovascular risk factors, height was found to be inversely associated with carotid atherosclerosis for overweight but not for non-overweight men. PMID:24180493

The dissociative chemisorption of water on Ni(111): Mode- and bond-selective chemistry on metal surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farjamnia, Azar; Jackson, Bret, E-mail: jackson@chem.umass.edu

A fully quantum approach based on an expansion in vibrationally adiabatic eigenstates is used to explore the dissociative chemisorption of H{sub 2}O, HOD, and D{sub 2}O on Ni(111). For this late barrier system, excitation of both the bending and stretching modes significantly enhances dissociative sticking. The vibrational efficacies vary somewhat from mode-to-mode but are all relatively close to one, in contrast to methane dissociation, where the behavior is less statistical. Similar to methane dissociation, the motion of lattice atoms near the dissociating molecule can significantly modify the height of the barrier to dissociation, leading to a strong variation in dissociativemore » sticking with substrate temperature. Given a rescaling of the barrier height, our results are in reasonable agreement with measurements of the dissociative sticking of D{sub 2}O on Ni(111), for both laser-excited molecules with one or two quanta of excitation in the antisymmetric stretch and in the absence of laser excitation. Even without laser excitation, the beam contains vibrationally excited molecules populated at the experimental source temperature, and these make significant contributions to the sticking probability. At high collision energies, above the adiabatic barrier heights, our results correlate with these barrier heights and mode softening effects. At lower energies, dissociative sticking occurs primarily via vibrationally nonadiabatic pathways. We find a preference for O–H over O–D bond cleavage for ground state HOD molecules at all but the highest collision energies, and excitation of the O–H stretch gives close to 100% O–H selectivity at lower energies. Excitation of the O–D stretch gives a lower O–D cleavage selectivity, as the interaction with the surface leads to energy transfer from the O–D stretch into the O–H bond, when mode softening makes these vibrations nearly degenerate.« less

HYDROCORTISONE THERAPY AND GROWTH TRAJECTORY IN CHILDREN WITH CLASSICAL CONGENITAL ADRENAL HYPERPLASIA.

PubMed

Bizzarri, Carla; Improda, Nicola; Maggioli, Chiara; Capalbo, Donatella; Roma, Silvia; Porzio, Ottavia; Salerno, Mariacarolina; Cappa, Marco

2017-05-01

Poor linear growth is one of the main concerns in children with congenital adrenal hyperplasia (CAH). We aimed to analyze factors affecting growth trajectory in children with classical CAH. Clinical records of children followed from infancy up to the end of growth at two Italian tertiary referral hospitals were reviewed. Fifty-seven patients (31 males), treated with hydrocortisone and fludrocortisone only, were included. Clinical observations were divided into three groups: 0 to 2 years, 172 observations; from 2 years to puberty onset, 813 observations; after puberty onset, 527 observations. Height velocity, pubertal growth spurt, and final height were evaluated as outcomes. Final height standard deviation score (SDS) was lower than target height SDS (-0.74 ± 1.1 versus -0.31 ± 1.01; P<.001). Target-adjusted final height SDS was -0.44 ± 1.8 in males and -0.13 ± 1.1 in females (P = .001). Total pubertal growth was 21.9 ± 7.3 cm in males and 19.2 ± 8.2 cm in females (P = .19). Hydrocortisone dose increased and height-velocity SDS decreased during puberty. At multivariable analysis, height-velocity SDS was adversely affected by hydrocortisone dose (P = .038) and directly related to adrenocorticotropic hormone (ACTH) levels (P = .023). Target-adjusted final-height SDS was adversely affected by hydrocortisone dose (P<.001) and positively related to mineralocorticoid therapy (P = .001) and ACTH levels (P = .02). Total pubertal growth (cm) was positively related to ACTH levels (P = .01). Height outcome of CAH patients is now better than previously reported. During puberty, the lowest effective dose of hydrocortisone should be used to optimize pubertal growth spurt and final height. 17-OHP = 17-alpha-hydroxyprogesterone ACTH = adrenocorticotropic hormone BMI = body mass index CAH = congenital adrenal hyperplasia GH = growth hormone HPA = hypothalamus-pituitary-adrenal PRA = plasma renin activity SDS = standard deviation score SV = simple virilizing SW = salt-wasting.

Free energy calculations along entropic pathways. I. Homogeneous vapor-liquid nucleation for atomic and molecular systems

NASA Astrophysics Data System (ADS)

Desgranges, Caroline; Delhommelle, Jerome

2016-11-01

Using the entropy S as a reaction coordinate, we determine the free energy barrier associated with the formation of a liquid droplet from a supersaturated vapor for atomic and molecular fluids. For this purpose, we develop the μ V T -S simulation method that combines the advantages of the grand-canonical ensemble, that allows for a direct evaluation of the entropy, and of the umbrella sampling method, that is well suited to the study of an activated process like nucleation. Applying this approach to an atomic system such as Ar allows us to test the method. The results show that the μ V T -S method gives the correct dependence on supersaturation of the height of the free energy barrier and of the size of the critical droplet, when compared to predictions from the classical nucleation theory and to previous simulation results. In addition, it provides insight into the relation between the entropy and droplet formation throughout this process. An additional advantage of the μ V T -S approach is its direct transferability to molecular systems, since it uses the entropy of the system as the reaction coordinate. Applications of the μ V T -S simulation method to N2 and CO2 are presented and discussed in this work, showing the versatility of the μ V T -S approach.

Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles.

PubMed

Comer, Jeffrey; Schulten, Klaus; Chipot, Christophe

2017-06-13

Computational prediction of membrane permeability to small molecules requires accurate description of both the thermodynamics and kinetics underlying translocation across the lipid bilayer. In this contribution, well-converged, microsecond-long free-energy calculations are combined with a recently developed subdiffusive kinetics framework to describe the membrane permeation of a homologous series of short-tail alcohols, from methanol to 1-butanol, with unprecedented fidelity to the underlying molecular models. While the free-energy profiles exhibit barriers for passage through the center of the bilayer in all cases, the height of these barriers decreases with the length of the aliphatic chain of the alcohol, in quantitative agreement with experimentally determined differential solvation free energies in water and oil. A unique aspect of the subdiffusive model employed herein, which was developed in a previous article, is the determination of a position-dependent fractional order which quantifies the degree to which the motion of the alcohol deviates from classical diffusion along the thickness of the membrane. In the aqueous medium far from the bilayer, this quantity approaches 1.0, the asymptotic limit for purely classical diffusion, whereas it dips below 0.75 near the center of the membrane irrespective of the permeant. Remarkably, the fractional diffusivity near the center of membrane, where its influence on the permeability is the greatest, is similar among the four permeants despite the large difference in molecular weight and lipophilicity between methanol and 1-butanol. The relative permeabilities, which are estimated from the free-energy and fractional diffusivity profiles, are therefore determined predominantly by differences in the former rather than the latter. The predicted relative permeabilities are highly correlated with existing experimental results, albeit they do not agree quantitatively with them. On the other hand, quite unexpectedly, the reported experimental values for the short-tail alcohols are nearly three orders of magnitude lower than the available experimental measurement for water. Plausible explanations for this apparent disagreement between theory and experiment are considered in detail.

Spatial fluctuations in barrier height at the graphene-silicon carbide Schottky junction.

PubMed

Rajput, S; Chen, M X; Liu, Y; Li, Y Y; Weinert, M; Li, L

2013-01-01

When graphene is interfaced with a semiconductor, a Schottky contact forms with rectifying properties. Graphene, however, is also susceptible to the formation of ripples upon making contact with another material. Here we report intrinsic ripple- and electric field-induced effects at the graphene semiconductor Schottky junction, by comparing chemical vapour-deposited graphene transferred on semiconductor surfaces of opposite polarization-the hydrogen-terminated silicon and carbon faces of hexagonal silicon carbide. Using scanning tunnelling microscopy/spectroscopy and first-principles calculations, we show the formation of a narrow Schottky dipole barrier approximately 10 Å wide, which facilitates the observed effective electric field control of the Schottky barrier height. We further find atomic-scale spatial fluctuations in the Schottky barrier that directly follow the undulation of ripples on both graphene-silicon carbide junctions. These findings reveal fundamental properties of the graphene/semiconductor Schottky junction-a key component of vertical graphene devices that offer functionalities unattainable in planar device architecture.

Energy shift and conduction-to-valence band transition mediated by a time-dependent potential barrier in graphene

NASA Astrophysics Data System (ADS)

Chaves, Andrey; da Costa, D. R.; de Sousa, G. O.; Pereira, J. M.; Farias, G. A.

2015-09-01

We investigate the scattering of a wave packet describing low-energy electrons in graphene by a time-dependent finite-step potential barrier. Our results demonstrate that, after Klein tunneling through the barrier, the electron acquires an extra energy which depends on the rate of change of the barrier height with time. If this rate is negative, the electron loses energy and ends up as a valence band state after leaving the barrier, which effectively behaves as a positively charged quasiparticle.

Experience with long-term glucocorticoid treatment in congenital adrenal hyperplasia: growth pattern compared with genetic height potential.

PubMed

Aycan, Zehra; Ocal, Gonul; Berberoglu, Merih; Cetinkaya, Ergun; Adiyaman, Pelin; Evliyaoglu, Olcay

2006-03-01

Long-term replacement treatment with high doses of steroids in congenital adrenal hyperplasia (CAH) is known to have a negative influence on growth. We evaluated the effects of long-term steroid treatment in patients with classical CAH on height development in relation to genetic height potential. Twenty-three patients with CAH (16 females, 7 males, mean age: 9.8 +/- 3.5 years) were included in this longitudinal study. The effect of steroid treatment on growth was determined by monitoring patients for 8.61 +/- 3.46 years (2-17 years) while they were treated with hydrocortisone at a mean dosage of 17.64 +/- 3.60 mg/m2/day. The height standard deviation scores (Ht-SDS), target Ht-SDS, and corrected Ht-SDS for target height was calculated for all patients. Predicted adult height according to bone age was calculated and it was determined whether height was developing according to the genetic height potential. In addition, patients were grouped as 'tight control' or 'poor control' according to their mean serum 17OH-progesterone or ACTH levels while on treatment. We evaluated whether height development was different for the tight and poor control groups. The mean chronological age of our patients at the time of the study was 9.89 +/- 3.53 years, Ht-SDS -0.77 +/- 1.57, target height (TH) 161.03 +/- 6.54 cm, TH-SDS -0.60 +/- 0.90, predicted height (PH) 157.2 +/- 11.16 cm, PH-SDS -1.1 +/- 1.69, and corrected Ht-SDS -0.75 +/- 1.14. There was no significant difference between the actual Ht-SDS and TH-SDS of our patients (p >0.05) but the corrected Ht-SDS was less than zero. Only 28.5% of our patients had normal height according to their genetic potential while 71.5% were shorter than their genetic height potential. While the Ht-SDS and corrected Ht-SDS were similar in the tight and poor metabolic control groups, the predicted height was significantly greater in the tight control group. We demonstrated that a hydrocortisone dose of 17.64 +/- 3.60 mg/m2/day in classical CAH had a negative influence on height development for genetic height potential in 8.5 years of follow-up and that it is necessary to use the lowest possible steroid dosage by individualizing the dose.

Pathways to dewetting in hydrophobic confinement

PubMed Central

Remsing, Richard C.; Xi, Erte; Vembanur, Srivathsan; Sharma, Sumit; Debenedetti, Pablo G.; Garde, Shekhar; Patel, Amish J.

2015-01-01

Liquid water can become metastable with respect to its vapor in hydrophobic confinement. The resulting dewetting transitions are often impeded by large kinetic barriers. According to macroscopic theory, such barriers arise from the free energy required to nucleate a critical vapor tube that spans the region between two hydrophobic surfaces—tubes with smaller radii collapse, whereas larger ones grow to dry the entire confined region. Using extensive molecular simulations of water between two nanoscopic hydrophobic surfaces, in conjunction with advanced sampling techniques, here we show that for intersurface separations that thermodynamically favor dewetting, the barrier to dewetting does not correspond to the formation of a (classical) critical vapor tube. Instead, it corresponds to an abrupt transition from an isolated cavity adjacent to one of the confining surfaces to a gap-spanning vapor tube that is already larger than the critical vapor tube anticipated by macroscopic theory. Correspondingly, the barrier to dewetting is also smaller than the classical expectation. We show that the peculiar nature of water density fluctuations adjacent to extended hydrophobic surfaces—namely, the enhanced likelihood of observing low-density fluctuations relative to Gaussian statistics—facilitates this nonclassical behavior. By stabilizing isolated cavities relative to vapor tubes, enhanced water density fluctuations thus stabilize novel pathways, which circumvent the classical barriers and offer diminished resistance to dewetting. Our results thus suggest a key role for fluctuations in speeding up the kinetics of numerous phenomena ranging from Cassie–Wenzel transitions on superhydrophobic surfaces, to hydrophobically driven biomolecular folding and assembly. PMID:26100866

Pathways to dewetting in hydrophobic confinement.

PubMed

Remsing, Richard C; Xi, Erte; Vembanur, Srivathsan; Sharma, Sumit; Debenedetti, Pablo G; Garde, Shekhar; Patel, Amish J

2015-07-07

Liquid water can become metastable with respect to its vapor in hydrophobic confinement. The resulting dewetting transitions are often impeded by large kinetic barriers. According to macroscopic theory, such barriers arise from the free energy required to nucleate a critical vapor tube that spans the region between two hydrophobic surfaces--tubes with smaller radii collapse, whereas larger ones grow to dry the entire confined region. Using extensive molecular simulations of water between two nanoscopic hydrophobic surfaces, in conjunction with advanced sampling techniques, here we show that for intersurface separations that thermodynamically favor dewetting, the barrier to dewetting does not correspond to the formation of a (classical) critical vapor tube. Instead, it corresponds to an abrupt transition from an isolated cavity adjacent to one of the confining surfaces to a gap-spanning vapor tube that is already larger than the critical vapor tube anticipated by macroscopic theory. Correspondingly, the barrier to dewetting is also smaller than the classical expectation. We show that the peculiar nature of water density fluctuations adjacent to extended hydrophobic surfaces--namely, the enhanced likelihood of observing low-density fluctuations relative to Gaussian statistics--facilitates this nonclassical behavior. By stabilizing isolated cavities relative to vapor tubes, enhanced water density fluctuations thus stabilize novel pathways, which circumvent the classical barriers and offer diminished resistance to dewetting. Our results thus suggest a key role for fluctuations in speeding up the kinetics of numerous phenomena ranging from Cassie-Wenzel transitions on superhydrophobic surfaces, to hydrophobically driven biomolecular folding and assembly.

Spin-dependent delay time in ferromagnet/insulator/ferromagnet heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, ZhengWei; Zheng Shi, De; Lv, HouXiang

2014-07-07

We study theoretically spin-dependent group delay and dwell time in ferromagnet/insulator/ferromagnet (FM/I/FM) heterostructure. The results indicate that, when the electrons with different spin orientations tunnel through the FM/I/FM junction, the spin-up process and the spin-down process are separated on the time scales. As the self-interference delay has the spin-dependent features, the variations of spin-dependent dwell-time and spin-dependent group-delay time with the structure parameters appear different features, especially, in low incident energy range. These different features show up as that the group delay times for the spin-up electrons are always longer than those for spin-down electrons when the barrier height ormore » incident energy increase. In contrast, the dwell times for the spin-up electrons are longer (shorter) than those for spin-down electrons when the barrier heights (the incident energy) are under a certain value. When the barrier heights (the incident energy) exceed a certain value, the dwell times for the spin-up electrons turn out to be shorter (longer) than those for spin-down electrons. In addition, the group delay time and the dwell time for spin-up and down electrons also relies on the comparative direction of magnetization in two FM layers and tends to saturation with the thickness of the barrier.« less

Forward- and reverse-bias tunneling effects in n/+/p silicon solar cells

NASA Technical Reports Server (NTRS)

Garlick, G. F. J.; Kachare, A. H.

1980-01-01

Excess currents due to field-assisted tunneling in both forward and reverse bias directions have been observed in n(+)-p silicon solar cells. These currents arise from the effect of conducting paths produced in the depletion layer by n(+) diffusion and cell processing. Forward-bias data indicate a small potential barrier with height of 0.04 eV at the n(+) end of conducting paths. Under reverse bias, excess tunneling currents involve a potential barrier at the p end of the conducting paths, the longer paths being associated with smaller barrier heights and dominating at the lower temperatures. Low-reverse-bias data give energy levels of 0.11 eV for lower temperatures (253-293 K) and 0.35 eV for higher temperatures (293-380 K). A model is suggested to explain the results.

Electric field modulation of Schottky barrier height in graphene/MoSe{sub 2} van der Waals heterointerface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sata, Yohta; Moriya, Rai, E-mail: moriyar@iis.u-tokyo.ac.jp, E-mail: tmachida@iis.u-tokyo.ac.jp; Morikawa, Sei

2015-07-13

We demonstrate a vertical field-effect transistor based on a graphene/MoSe{sub 2} van der Waals (vdW) heterostructure. The vdW interface between the graphene and MoSe{sub 2} exhibits a Schottky barrier with an ideality factor of around 1.3, suggesting a high-quality interface. Owing to the low density of states in graphene, the position of the Fermi level in the graphene can be strongly modulated by an external electric field. Therefore, the Schottky barrier height at the graphene/MoSe{sub 2} vdW interface is also modulated. We demonstrate a large current ON-OFF ratio of 10{sup 5}. These results point to the potential high performance ofmore » the graphene/MoSe{sub 2} vdW heterostructure for electronics applications.« less

Potential barrier heights at metal on oxygen-terminated diamond interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muret, P., E-mail: pierre.muret@neel.cnrs.fr; Traoré, A.; Maréchal, A.

2015-11-28

Electrical properties of metal-semiconductor (M/SC) and metal/oxide/SC structures built with Zr or ZrO{sub 2} deposited on oxygen-terminated surfaces of (001)-oriented diamond films, comprised of a stack of lightly p-doped diamond on a heavily doped layer itself homoepitaxially grown on an Ib substrate, are investigated experimentally and compared to different models. In Schottky barrier diodes, the interfacial oxide layer evidenced by high resolution transmission electron microscopy and electron energy losses spectroscopy before and after annealing, and barrier height inhomogeneities accounts for the measured electrical characteristics until flat bands are reached, in accordance with a model which generalizes that by Tung [Phys.more » Rev. B 45, 13509 (1992)] and permits to extract physically meaningful parameters of the three kinds of interface: (a) unannealed ones, (b) annealed at 350 °C, (c) annealed at 450 °C with the characteristic barrier heights of 2.2–2.5 V in case (a) while as low as 0.96 V in case (c). Possible models of potential barriers for several metals deposited on well defined oxygen-terminated diamond surfaces are discussed and compared to experimental data. It is concluded that interface dipoles of several kinds present at these compound interfaces and their chemical evolution due to annealing are the suitable ingredients that are able to account for the Mott-Schottky behavior when the effect of the metal work function is ignored, and to justify the reverted slope observed regarding metal work function, in contrast to the trend always reported for all other metal-semiconductor interfaces.« less

Morphological evolution of protective works by Genetic Algorithms: An application to Mt Etna

NASA Astrophysics Data System (ADS)

Marocco, Davide; Spataro, William; D'Ambrosio, Donato; Filippone, Giuseppe; Rongo, Rocco; Iovine, Giulio; Neri, Marco

2013-04-01

The hazard induced by dangerous flow-type phenomena - e.g. lava flows, earth flows, debris flows, and debris avalanches - has increased in recent years due to continuous urbanization. In many cases, the numerical simulation of hypothetical events can help to forecast the flow path in advance and therefore give indications about the areas that can be considered for the construction of protective works - e.g. earth barriers or channels. In this way, urbanized areas, as well as cultural heritage sites or even important infrastructures, can be protected by diverting the flow towards lower interest regions. Here, we have considered the numerical Cellular Automata model Sciara-fv2 for simulating lava flows at Mt Etna and Genetic Algorithms for optimizing the position, orientation and extension of an earth barrier built to protect the Rifugio Sapienza, a well-known touristic facility located near the summit of the volcano. The Rifugio Sapienza area was in fact interested by a lava flow in 2003, which destroyed a Service Center, a parking area and a Cafeteria. In this study, a perimeter was devised around the Rifugio (i.e., security perimeter), which delimitates the area that has to be protected by the flow. Furthermore, another perimeter was devised (i.e., work perimeter), specifying the area in which the earth barrier can be located. The barrier is specified by three parameters, namely the two geographic coordinates of the vertex and the height. In fact, in this preliminary analysis the barrier was modeled as a segment (in plant) having a constant height. Though preliminary, the study has produced extremely positive results. Among different alternatives generated by the genetic algorithm, an interesting scenario consists of a 35 meters barrier high solution, which completely deviates the flow avoiding that the lava reaches the inhabited area. The relative elevated height of the barrier is high due to the fact that the crater is located close to the area to be protected and, consequently, the lava rate is very high.

Intramolecular H-transfer reactions in Si 2H n (for n=3-5)

NASA Astrophysics Data System (ADS)

Ernst, M. C.; Sax, A. F.; Kalcher, J.

1993-12-01

Intramolecular rearrangement reactions for doublet Si 2H 5 and Si 2H 3, quartet Si 2H 3, and singlet Si 2H 4 have been studied. aim of the study was to characterize a series of intramolecular H-transfer reactions in silicon hydrides with vrying degrees of saturation. The transition states belonging to the reactions presented in this work possess a monobridged Si 2H moiety. Structural features of the transition states and relative barrier heights have been examined; the geometry optimizations were performed with the use of CAS-SCF wavefunctions and the barrier height estimates were obtained with single-point CI calculations.

Allylic amination reactivity of Ni, Pd, and Pt heterobimetallic and monometallic complexes.

PubMed

Carlsen, Ryan W; Ess, Daniel H

2016-06-14

Transition metal heterobimetallic complexes with dative metal-metal interactions have the potential for novel fast reactivity. There are few studies that both compare the reactivity of different metal centers in heterobimetallic complexes and compare bimetallic reactivity to monometallic reactivity. Here we report density-functional calculations that show the reactivity of [Cl2Ti(N(t)BuPPh2)2M(II)(η(3)-methallyl)] heterobimetallic complexes for allylic amination follows M = Ni > Pd > Pt. This reactivity trend was not anticipated since the amine addition transition state involves M(II) to M(0) reduction and this could disadvantage Ni. Comparison of heterobimetallic complexes to the corresponding monometallic (CH2)2(N(t)BuPPh2)2M(II)(η(3)-methallyl) complexes reveals that this reactivity trend is due to the bimetallic interaction and that the bimetallic interaction significantly lowers the barrier height for amine addition by >10 kcal mol(-1). The impact of the early transition metal center on the amination addition barrier height depends on the late transition metal center. The lowest barrier heights for this reaction occur when late and early transition metal centers are from the same periodic table row.

Investigation of the CH3Cl + CN(-) reaction in water: Multilevel quantum mechanics/molecular mechanics study.

PubMed

Xu, Yulong; Zhang, Jingxue; Wang, Dunyou

2015-06-28

The CH3Cl + CN(-) reaction in water was studied using a multilevel quantum mechanics/molecular mechanics (MM) method with the multilevels, electrostatic potential, density functional theory (DFT) and coupled-cluster single double triple (CCSD(T)), for the solute region. The detailed, back-side attack SN2 reaction mechanism was mapped along the reaction pathway. The potentials of mean force were calculated under both the DFT and CCSD(T) levels for the reaction region. The CCSD(T)/MM level of theory presents a free energy activation barrier height at 20.3 kcal/mol, which agrees very well with the experiment value at 21.6 kcal/mol. The results show that the aqueous solution has a dominant role in shaping the potential of mean force. The solvation effect and the polarization effect together increase the activation barrier height by ∼11.4 kcal/mol: the solvation effect plays a major role by providing about 75% of the contribution, while polarization effect only contributes 25% to the activation barrier height. Our calculated potential of mean force under the CCSD(T)/MM also has a good agreement with the one estimated using data from previous gas-phase studies.

The 6-31B(d) basis set and the BMC-QCISD and BMC-CCSD multicoefficient correlation methods.

PubMed

Lynch, Benjamin J; Zhao, Yan; Truhlar, Donald G

2005-03-03

Three new multicoefficient correlation methods (MCCMs) called BMC-QCISD, BMC-CCSD, and BMC-CCSD-C are optimized against 274 data that include atomization energies, electron affinities, ionization potentials, and reaction barrier heights. A new basis set called 6-31B(d) is developed and used as part of the new methods. BMC-QCISD has mean unsigned errors in calculating atomization energies per bond and barrier heights of 0.49 and 0.80 kcal/mol, respectively. BMC-CCSD has mean unsigned errors of 0.42 and 0.71 kcal/mol for the same two quantities. BMC-CCSD-C is an equally effective variant of BMC-CCSD that employs Cartesian rather than spherical harmonic basis sets. The mean unsigned error of BMC-CCSD or BMC-CCSD-C for atomization energies, barrier heights, ionization potentials, and electron affinities is 22% lower than G3SX(MP2) at an order of magnitude less cost for gradients for molecules with 9-13 atoms, and it scales better (N6 vs N,7 where N is the number of atoms) when the size of the molecule is increased.

Investigation of the CH3Cl + CN- reaction in water: Multilevel quantum mechanics/molecular mechanics study

NASA Astrophysics Data System (ADS)

Xu, Yulong; Zhang, Jingxue; Wang, Dunyou

2015-06-01

The CH3Cl + CN- reaction in water was studied using a multilevel quantum mechanics/molecular mechanics (MM) method with the multilevels, electrostatic potential, density functional theory (DFT) and coupled-cluster single double triple (CCSD(T)), for the solute region. The detailed, back-side attack SN2 reaction mechanism was mapped along the reaction pathway. The potentials of mean force were calculated under both the DFT and CCSD(T) levels for the reaction region. The CCSD(T)/MM level of theory presents a free energy activation barrier height at 20.3 kcal/mol, which agrees very well with the experiment value at 21.6 kcal/mol. The results show that the aqueous solution has a dominant role in shaping the potential of mean force. The solvation effect and the polarization effect together increase the activation barrier height by ˜11.4 kcal/mol: the solvation effect plays a major role by providing about 75% of the contribution, while polarization effect only contributes 25% to the activation barrier height. Our calculated potential of mean force under the CCSD(T)/MM also has a good agreement with the one estimated using data from previous gas-phase studies.

Tuning the electronic properties and Schottky barrier height of the vertical graphene/MoS2 heterostructure by an electric gating

NASA Astrophysics Data System (ADS)

Nguyen, Chuong V.

2018-04-01

In this paper, the electronic properties and Schottky contact in graphene/MoS2 (G/MoS2) heterostructure under an applied electric field are investigated by means of the density functional theory. It can be seen that the electronic properties of the G/MoS2 heterostructure are preserved upon contacting owing to the weak van der Waals interaction. We found that the n-type Schottky contact is formed in the G/MoS2 heterostructure with the Schottky barrier height of 0.49 eV. Furthermore, both Schottky contact and Schottky barrier height in the G/MoS2 heterostructure could be controlled by the applied electric field. If a positive electric field of 4 V/nm is applied to the system, a transformation from the n-type Schottky contact to the p-type one was observed, whereas the system keeps an n-type Schottky contact when a negative electric field is applied. Our results may provide helpful information to design, fabricate, and understand the physics mechanism in the graphene-based two-dimensional van der Waals heterostructures like as G/MoS2 heterostructure.

Direct control and characterization of a Schottky barrier by scanning tunneling microscopy

NASA Technical Reports Server (NTRS)

Bell, L. D.; Kaiser, W. J.; Hecht, M. H.; Grunthaner, F. J.

1988-01-01

Scanning tunneling microscopy (STM) methods are used to directly control the barrier height of a metal tunnel tip-semiconductor tunnel junction. Barrier behavior is measured by tunnel current-voltage spectroscopy and compared to theory. A unique surface preparation method is used to prepare a low surface state density Si surface. Control of band bending with this method enables STM investigation of semiconductor subsurface properties.

Molecular Barriers to Zoonotic Transmission of Prions

PubMed Central

Barria, Marcelo A.; Balachandran, Aru; Morita, Masanori; Kitamoto, Tetsuyuki; Barron, Rona; Manson, Jean; Knight, Richard; Ironside, James W.

2014-01-01

The risks posed to human health by individual animal prion diseases cannot be determined a priori and are difficult to address empirically. The fundamental event in prion disease pathogenesis is thought to be the seeded conversion of normal prion protein to its pathologic isoform. We used a rapid molecular conversion assay (protein misfolding cyclic amplification) to test whether brain homogenates from specimens of classical bovine spongiform encephalopathy (BSE), atypical BSE (H-type BSE and L-type BSE), classical scrapie, atypical scrapie, and chronic wasting disease can convert normal human prion protein to the abnormal disease-associated form. None of the tested prion isolates from diseased animals were as efficient as classical BSE in converting human prion protein. However, in the case of chronic wasting disease, there was no absolute barrier to conversion of the human prion protein. PMID:24377702

Exciting New Take on a Classic: Crash Testing Activity Puts the Egg in the Driver's Seat

ERIC Educational Resources Information Center

Board, Keith

2011-01-01

An excellent common activity in technology and engineering classes involves dropping an egg from a significant height in a protective device designed and built by students. This article describes how the author uses the classic "egg drop" as an inspiration to have students modify a small crash test vehicle that speeds down a track and crashes into…

Exciting New Take on a Classic: Crash Test Activity Puts the Egg in the Driver's Seat

ERIC Educational Resources Information Center

Board, Keith

2011-01-01

An excellent common activity in technology and engineering classes involves dropping an egg from a significant height in a protective device designed and built by students. This article describes how the author uses the classic "egg drop" as an inspiration to have students modify a small crash test vehicle that speeds down a track and crashes into…

Effects of a Single Water Molecule on the Reaction Barrier of Interstellar CO2 Formation Reaction.

PubMed

Tachikawa, Hiroto; Kawabata, Hiroshi

2016-08-25

The mechanism by which CO2 is formed in the interstellar space remains a mystery. The most likely reaction is collision between CO and OH; however, previous theoretical works have shown that the activation barrier for CO2 formation is high enough to prevent the reaction at the low thermal conditions of space (∼10 K). The effects of single water molecule on the reaction barrier of CO2 formation from reaction between CO and OH have been investigated here by means of ab initio calculation. The barrier height along the lowest-energy pathway in the reaction between CO and OH in the absence of the H2O molecule was calculated to be 2.3 kcal/mol when CCSD(T) energy corrections are combined with the MP2 basis set limit. In the case of the hydrated (H2O-CO-OH) system, the inclusion of a single H2O molecule into the system significantly decreased the barrier height to 0.2 kcal/mol. This suggests that CO2 can be formed when CO and OH react in the presence of H2O, even under thermal conditions as low as 10 K.

The Impact of Roadside Barriers and Buildings on Near Road Concentrations of Vehicle Emissions

NASA Astrophysics Data System (ADS)

Schulte, Nico

Exposure to elevated concentrations of vehicle emitted pollutants is associated with negative health effects. Elevated concentrations are typically found within several hundred meters of high traffic roads, where atmospheric dispersion has not sufficiently diluted pollutants. Tall buildings next to roads reduce dispersion, thereby creating pollutant hot spots and increasing exposure to vehicle emissions for city residents. Roadside barriers enhance dispersion of roadway emissions and thus can be used to mitigate elevated concentrations next to large roads. The work in this thesis develops semi-empirical dispersion models that are useful for estimating near road concentrations of vehicle emissions when there are buildings or barriers next to the road. Dispersion models that account for the effect of near road barriers on concentrations are developed and evaluated with data from a wind tunnel and a field tracer study. The model evaluation shows that the primary effect of roadside barriers is enhancement of the vertical mixing by an amount proportional to the barrier height. Additionally, turbulence is enhanced in the barrier's wake, resulting in more rapid growth of the pollutant plume. The models perform well during neutral and stable atmospheric conditions. During unstable conditions the models overestimate concentrations. A model that accounts for reduction of the mean wind speed in the barrier wake is unbiased for all stabilities. Models of the impact of tall buildings next to the road on near road concentrations of vehicle emissions are developed. The models are evaluated with data from field measurements conducted in Los Angeles and Riverside counties, CA, and with data from an urban area in Hannover, Germany. The study specifically investigates dispersion in cities with significant building height variability. Model evaluation shows that vertical turbulent transport dominates dispersion in cities. The primary variables governing near road concentrations of vehicle emissions in cities are the ratio of area weighted building height to street width and the vertical averaged standard deviation of vertical velocity fluctuations. The model informs design of transit oriented developments, dense residential areas located in close proximity to transportation infrastructure, which are used to reduce pollution and greenhouse gas emissions due to transportation.

Ethnicity and Classicism: A Beautiful Connection.

ERIC Educational Resources Information Center

Mitchell, Arthur

1984-01-01

The founder of the Dance Theater of Harlem describes his own professional development and discusses how Martin Luther King's assassination led him to make a commitment to the people of Harlem, to the untapped talents of Black artists, and to breaking the traditional barrier against Black dancers in classical ballet. (CMG)

Temperature dependent electrical properties of rare-earth metal Er Schottky contact on p-type InP

NASA Astrophysics Data System (ADS)

Rao, L. Dasaradha; Reddy, N. Ramesha; Kumar, A. Ashok; Reddy, V. Rajagopal

2013-06-01

The current-voltage (I-V) characteristics of the Er/p-InP Schottky barrier diodes (SBDs) have been investigated in the temperature range of 300-400K in steps of 25K. The electrical parameters such as ideality factor (n) and zero-bias barrier height (Φbo) are found to be strongly temperature dependent. It is observed that ΦI-V decreases whereas n increases with decreasing temperature. The series resistance is also calculated from the forward I-V characteristics of Er/p-InP SBD and it is found to be strongly dependent on temperature. Further, the temperature dependence of energy distribution of interface state density (NSS) profiles is determined from the forward I-V measurements by taking into account the bias dependence of the effective barrier height and ideality factor. It is observed that the NSS values increase with a decrease in temperature.

Towards a converged barrier height for the entrance channel transition state of the N( 2D) + CH 4 reaction and its implication for the chemistry in Titan's atmosphere

NASA Astrophysics Data System (ADS)

Ouk, Chanda-Malis; Zvereva-Loëte, Natalia; Bussery-Honvault, Béatrice

2011-10-01

The N( 2D) + CH 4 reaction appears to be a key reaction for the chemistry of Titan's atmosphere, opening the door to nitrile formation as recently observed by the Cassini-Huygens mission. Faced to the controversy concerning the existence or not of a potential barrier for this reaction, we have carried out accurate ab initio calculations by means of multi-state multi-reference configuration interaction (MS-MR-SDCI) method. These calculations have been partially corrected for the size-consistency errors (SCE) by Davidson, Pople or AQCC corrections. We suggest a barrier height of 3.86 ± 0.84 kJ/mol, including ZPE, for the entrance transition state, in good agreement with the experimental value. Its implication in Titan's atmopsheric chemistry is discussed.

Ideal MHD Stability Prediction and Required Power for EAST Advanced Scenario

NASA Astrophysics Data System (ADS)

Chen, Junjie; Li, Guoqiang; Qian, Jinping; Liu, Zixi

2012-11-01

The Experimental Advanced Superconducting Tokamak (EAST) is the first fully superconducting tokamak with a D-shaped cross-sectional plasma presently in operation. The ideal magnetohydrodynamic (MHD) stability and required power for the EAST advanced tokamak (AT) scenario with negative central shear and double transport barrier (DTB) are investigated. With the equilibrium code TOQ and stability code GATO, the ideal MHD stability is analyzed. It is shown that a moderate ratio of edge transport barriers' (ETB) height to internal transport barriers' (ITBs) height is beneficial to ideal MHD stability. The normalized beta βN limit is about 2.20 (without wall) and 3.70 (with ideal wall). With the scaling law of energy confinement time, the required heating power for EAST AT scenario is calculated. The total heating power Pt increases as the toroidal magnetic field BT or the normalized beta βN is increased.

Transport gap of organic semiconductors in organic modified Schottky contacts

NASA Astrophysics Data System (ADS)

Zahn, Dietrich R. T.; Kampen, Thorsten U.; Méndez, Henry

2003-05-01

Two different organic molecules with similar structure, 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) and N, N'-dimethyl-3,4,9,10-perylenetetracarboxylic diimide (DiMe-PTCDI), were used for the modification of Ag Schottky contacts on sulphur passivated GaAs(1 0 0) (S-GaAs). Such diodes were investigated recording in situ current-voltage ( I- V) characteristics. As a function of the PTCDA thickness the effective barrier height of Ag/PTCDA/S-GaAs contacts initially increases from 0.59±0.01 to 0.72±0.01 eV, and then decreases to 0.54±0.01 eV, while only a decrease in barrier height from 0.54±0.01 to 0.45±0.01 eV is observed for DiMe-PTCDI interlayers. The initial increase and decrease in effective barrier height for PTCDA and DiMe-PTCDI respectively, is correlated with the energy level alignment of the lowest unoccupied molecular orbital (LUMO) with respect to the conduction band minimum (CBM) of S-GaAs at the organic/inorganic semiconductor interface. Whilst there is an additional barrier for electrons at the PTCDA/S-GaAs interface of about 150 meV, i.e. the LUMO lies above CBM, the LUMO is aligned or below CBM in the DiMe-PTCDI case. The results also shine light on the important issue of the transport gap in organic semiconductors for which an estimation can be obtained.

Study of hydrogen-molecule guests in type II clathrate hydrates using a force-matched potential model parameterised from ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Burnham, Christian J.; Futera, Zdenek; English, Niall J.

2018-03-01

The force-matching method has been applied to parameterise an empirical potential model for water-water and water-hydrogen intermolecular interactions for use in clathrate-hydrate simulations containing hydrogen guest molecules. The underlying reference simulations constituted ab initio molecular dynamics (AIMD) of clathrate hydrates with various occupations of hydrogen-molecule guests. It is shown that the resultant model is able to reproduce AIMD-derived free-energy curves for the movement of a tagged hydrogen molecule between the water cages that make up the clathrate, thus giving us confidence in the model. Furthermore, with the aid of an umbrella-sampling algorithm, we calculate barrier heights for the force-matched model, yielding the free-energy barrier for a tagged molecule to move between cages. The barrier heights are reasonably large, being on the order of 30 kJ/mol, and are consistent with our previous studies with empirical models [C. J. Burnham and N. J. English, J. Phys. Chem. C 120, 16561 (2016) and C. J. Burnham et al., Phys. Chem. Chem. Phys. 19, 717 (2017)]. Our results are in opposition to the literature, which claims that this system may have very low barrier heights. We also compare results to that using the more ad hoc empirical model of Alavi et al. [J. Chem. Phys. 123, 024507 (2005)] and find that this model does very well when judged against the force-matched and ab initio simulation data.

Influence of the dynamic lattice strain on the transport behavior of oxide heterojunctions

NASA Astrophysics Data System (ADS)

Wang, J.; Hu, F. X.; Chen, L.; Zhao, Y. Y.; Lu, H. X.; Sun, J. R.; Shen, B. G.

2013-01-01

All-perovskite oxide heterojunctions composed of electron-doped titanate LaxSr1 - xTiO3 (x = 0.1, 0.15) and hole-doped manganite La0.67Ca0.33MnO3 films were fabricated on piezoelectric substrate of (001)-0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 (PMN-PT). Taking advantage of the excellent converse piezoelectric effect of PMN-PT, we investigated the influence of the dynamic lattice strain on transport properties of the heterojunctions by applying external bias electric fields on the PMN-PT substrate. Photovoltaic experiments were carried out to characterize the interfacial barrier of the heterojunction. A linear reduction in the barrier height was observed with the increase of the bias field applied on PMN-PT. The value of the barrier height reduces from ˜1.55 (˜1.30) to 1.02 (1.08) eV as the bias field increases from 0 to 12 kV/cm for the junction of La0.10Sr0.9TiO3/La0.67Ca0.33MnO3 (La0.15Sr0.85TiO3/La0.67Ca0.33MnO3). The observed dependency of barrier height on external field can be ascribed to the increasing release of trapped carriers by strain modulation, which results in a suppression of the depletion layer and increases the opportunity for electron tunneling across the depletion area.

Electrical characteristics of multilayer MoS2 FET's with MoS2/graphene heterojunction contacts.

PubMed

Kwak, Joon Young; Hwang, Jeonghyun; Calderon, Brian; Alsalman, Hussain; Munoz, Nini; Schutter, Brian; Spencer, Michael G

2014-08-13

The electrical properties of multilayer MoS2/graphene heterojunction transistors are investigated. Temperature-dependent I-V measurements indicate the concentration of unintentional donors in exfoliated MoS2 to be 3.57 × 10(11) cm(-2), while the ionized donor concentration is determined as 3.61 × 10(10) cm(-2). The temperature-dependent measurements also reveal two dominant donor levels, one at 0.27 eV below the conduction band and another located at 0.05 eV below the conduction band. The I-V characteristics are asymmetric with drain bias voltage and dependent on the junction used for the source or drain contact. I-V characteristics of the device are consistent with a long channel one-dimensional field-effect transistor model with Schottky contact. Utilizing devices, which have both graphene/MoS2 and Ti/MoS2 contacts, the Schottky barrier heights of both interfaces are measured. The charge transport mechanism in both junctions was determined to be either thermionic-field emission or field emission depending on bias voltage and temperature. On the basis of a thermionic field emission model, the barrier height at the graphene/MoS2 interface was determined to be 0.23 eV, while the barrier height at the Ti/MoS2 interface was 0.40 eV. The value of Ti/MoS2 barrier is higher than previously reported values, which did not include the effects of thermionic field emission.

A Bayesian Network to Predict Barrier Island Geomorphologic Characteristics

NASA Astrophysics Data System (ADS)

Gutierrez, B.; Plant, N. G.; Thieler, E. R.; Turecek, A.; Stippa, S.

2014-12-01

Understanding how barrier islands along the Atlantic and Gulf coasts of the United States respond to storms and sea-level rise is an important management concern. Although these threats are well recognized, quantifying the integrated vulnerability is challenging due to the range of time and space scalesover which these processes act. Developing datasets and methods to identify the physical vulnerabilities of coastal environments due to storms and sea-level rise thus is an important scientific focus that supports land management decision making. Here we employ a Bayesian Network (BN) to model the interactions between geomorphic variables sampled from existing datasets that capture both storm-and sea-level rise related coastal evolution. The BN provides a means of estimating probabilities of changes in specific geomorphic characteristics such as foredune crest height, beach width, beach height, given knowledge of barrier island width, maximum barrier island elevation, distance from an inlet, the presence of anthropogenic modifications, and long-term shoreline change rates, which we assume to be directly related to sea-level rise. We evaluate BN skill and explore how different constraints, such as shoreline change characteristics (eroding, stable, accreting), distance to nearby inlets and island width, affect the probability distributions of future morphological characteristics. Our work demonstrates that a skillful BN can be constructed and that factors such as distance to inlet, shoreline change rate, and the presence of human alterations have the strongest influences on network performance. For Assateague Island, Maryland/Virginia, USA, we find that different shoreline change behaviors affect the probabilities of specific geomorphic characteristics, such as dune height, which allows us to identify vulnerable locations on the barrier island where habitat or infrastructure may be vulnerable to storms and sea-level rise.

Conductance and refraction across a Barrier in Phosphorene

NASA Astrophysics Data System (ADS)

Dahal, Dipendra; Gumbs, Godfrey

The transmission coefficient and ballistic conductance for monolayer black phosphorene is calculated when a potential step or square barrier is present. The Landauer-B¨uttiker formalism is employed in our calculations of the conductance. We obtain the refractive index for the step potential barrier when an incident beam of electron travel along different paths so as to observe what role the anisotropy of the energy bands plays. Numerical results are presented for various potential heights and barrier widths and these are compared with those for gapless and gapped graphene.

Spray particle drift mitigation using field corn (Zea mays L.) as a drift barrier.

PubMed

Vieira, Bruno C; Butts, Thomas R; Rodrigues, Andre O; Golus, Jeffrey A; Schroeder, Kasey; Kruger, Greg R

2018-04-24

Herbicide particle drift reduces application efficacy and can cause severe impacts on nearby vegetation depending on the herbicide mode-of-action, exposure level, and tolerance to the herbicide. A particle drift mitigation effort placing windbreaks or barriers on the field boundaries to reduce off-target movement of spray particles has been utilized in the past. The objective of this research was to evaluate the effectiveness of field corn (Zea mays L.) at different heights as a particle drift barrier. Applications with a non-air inclusion flat fan nozzle (ER11004) resulted in greater particle drift when compared to an air inclusion nozzle (TTI11004). Eight rows of corn were used as barriers (0.91, 1.22, and 1.98 m height) which reduced the particle drift for both nozzles, especially at shorter downwind distances. Applications with the ER11004 nozzle without corn barriers had 1% of the applied rate (D 99 ) predicted to deposit at 14.8 m downwind, whereas this distance was reduced (up to 7-fold) when applications were performed with corn barriers. The combination of corn drift barriers and nozzle selection (TTI11004) provided satisfactory particle drift reduction when the D 99 estimates were compared to applications with the ER11004 nozzle without corn barriers (up to 10-fold difference). The corn drift barriers were effective in reducing particle drift from applications with the ER11004 and the TTI11004 nozzles (Fine and Ultra Coarse spray classifications, respectively). The corn drift barrier had appropriate porosity and width as the airborne spray was captured within its canopy instead of deflecting up and over it. This article is protected by copyright. All rights reserved.

Vertical field effect tunneling transistor based on graphene-ultrathin Si nanomembrane heterostructures

NASA Astrophysics Data System (ADS)

Das, Tanmoy; Jang, Houk; Bok Lee, Jae; Chu, Hyunwoo; Kim, Seong Dae; Ahn, Jong-Hyun

2015-12-01

Graphene-based heterostructured vertical transistors have attracted a great deal of research interest. Herein we propose a Si-based technology platform for creating graphene/ultrathin semiconductor/metal (GSM) junctions, which can be applied to large-scale and low-power electronics compatible with a variety of substrates. We fabricated graphene/Si nanomembrane (NM)/metal vertical heterostructures by using a dry transfer technique to transfer Si NMs onto chemical vapor deposition-grown graphene layers. The resulting van der Waals interfaces between graphene and p-Si NMs exhibited nearly ideal Schottky barrier behavior. Due to the low density of states of graphene, the graphene/Si NM Schottky barrier height can be modulated by modulating the band profile in the channel region, yielding well-defined current modulation. We obtained a maximum current on/off ratio (Ion/Ioff) of up to ˜103, with a current density of 102 A cm-2. We also observed significant dependence of Schottky barrier height Δφb on the thickness of the Si NMs. We confirmed that the transport in these devices is dominated by the effects of the graphene/Si NM Schottky barrier.

Role of tunnelling in complete and incomplete fusion induced by 9Be on 169Tm and 187Re targets at around barrier energies

NASA Astrophysics Data System (ADS)

Kharab, Rajesh; Chahal, Rajiv; Kumar, Rajiv

2017-04-01

We have analyzed the complete and incomplete fusion excitation function for 9Be +169Tm, 187Re reactions at around barrier energies using the code PLATYPUS based on classical dynamical model. The quantum mechanical tunnelling correction is incorporated at near and sub barrier energies which significantly improves the matching between the data and prediction.

Velopharyngeal port status during classical singing.

PubMed

Tanner, Kristine; Roy, Nelson; Merrill, Ray M; Power, David

2005-12-01

This investigation was undertaken to examine the status of the velopharyngeal (VP) port during classical singing. Using aeromechanical instrumentation, nasal airflow (mL/s), oral pressure (cm H2O), and VP orifice area estimates (cm2) were studied in 10 classically trained sopranos during singing and speaking. Each participant sang and spoke 3 nonsense words-/hampa/, /himpi/, and /humpu/-at 3 loudness levels (loud vs. comfortable vs. soft) and 3 pitches (high vs. comfortable vs. low), using a within-subject experimental design including all possible combinations. In general, nasal airflow, oral pressure, and VP area estimates were significantly greater for singing as compared to speech, and nasal airflow was observed during non-nasal sounds in all participants. Anticipatory nasal airflow was observed in 9 of 10 participants for singing and speaking and was significantly greater during the first vowel in /hampa/ versus /himpi/ and /humpu/. The effect of vowel height on nasal airflow was also significantly influenced by loudness and pitch. The results from this investigation indicate that at least some trained singers experience regular VP opening during classical singing. Vowel height seems to influence this effect. Future research should consider the effects of voice type, gender, experience level, performance ability, and singing style on VP valving in singers.

On Displacement Height, from Classical to Practical Formulation: Stress, Turbulent Transport and Vorticity Considerations

NASA Astrophysics Data System (ADS)

Sogachev, Andrey; Kelly, Mark

2016-03-01

Displacement height ( d) is an important parameter in the simple modelling of wind speed and vertical fluxes above vegetative canopies, such as forests. Here we show that, aside from implicit definition through a (displaced) logarithmic profile, accepted formulations for d do not consistently predict flow properties above a forest. Turbulent transport can affect the displacement height, and is an integral part of what is called the roughness sublayer. We develop a more general approach for estimation of d, through production of turbulent kinetic energy and turbulent transport, and show how previous stress-based formulations for displacement height can be seen as simplified cases of a more general definition including turbulent transport. Further, we also give a simplified and practical form for d that is in agreement with the general approach, exploiting the concept of vortex thickness scale from mixing-layer theory. We assess the new and previous displacement height formulations by using flow statistics derived from the atmospheric boundary-layer Reynolds-averaged Navier-Stokes model SCADIS as well as from wind-tunnel observations, for different vegetation types and flow regimes in neutral conditions. The new formulations tend to produce smaller d than stress-based forms, falling closer to the classic logarithmically-defined displacement height. The new, more generally defined, displacement height appears to be more compatible with profiles of components of the turbulent kinetic energy budget, accounting for the combined effects of turbulent transport and shear production. The Coriolis force also plays a role, introducing wind-speed dependence into the behaviour of the roughness sublayer; this affects the turbulent transport, shear production, stress, and wind speed, as well as the displacement height, depending on the character of the forest. We further show how our practical (`mixing-layer') form for d matches the new turbulence-based relation, as well as correspondence to previous (stress-based) formulations.

Oscillations in MOS tunneling

NASA Technical Reports Server (NTRS)

Lewicki, G.; Maserjian, J.

1975-01-01

Oscillatory deviations from Fowler-Nordheim tunneling currents were measured in MOS capacitors with oxide thicknesses ranging from 30 to 75 A. The observed variation of oscillation phases and amplitudes with oxide thickness indicates that the Si-SiO2 interface is independent of oxide thickness only for thicknesses greater than 65 A. At lower thicknesses, the barrier height at the interface decreases gradually with oxide thickness at a rate on the order of 10 mV/A. At higher thicknesses, the barrier height is 4.08 eV. The energy dispersion relation with the SiO2 conduction band is parabolic. The mean free path within the SiO2 conduction band is on the order of 13 A.

Creation and validation of the barriers to alcohol reduction (BAR) scale using classical test theory and item response theory.

PubMed

Kunicki, Zachary J; Schick, Melissa R; Spillane, Nichea S; Harlow, Lisa L

2018-06-01

Those who binge drink are at increased risk for alcohol-related consequences when compared to non-binge drinkers. Research shows individuals may face barriers to reducing their drinking behavior, but few measures exist to assess these barriers. This study created and validated the Barriers to Alcohol Reduction (BAR) scale. Participants were college students ( n  = 230) who endorsed at least one instance of past-month binge drinking (4+ drinks for women or 5+ drinks for men). Using classical test theory, exploratory structural equation modeling found a two-factor structure of personal/psychosocial barriers and perceived program barriers. The sub-factors, and full scale had reasonable internal consistency (i.e., coefficient omega = 0.78 (personal/psychosocial), 0.82 (program barriers), and 0.83 (full measure)). The BAR also showed evidence for convergent validity with the Brief Young Adult Alcohol Consequences Questionnaire ( r  = 0.39, p  < .001) and discriminant validity with Barriers to Physical Activity ( r  = -0.02, p  = .81). Item Response Theory (IRT) analysis showed the two factors separately met the unidimensionality assumption, and provided further evidence for severity of the items on the two factors. Results suggest that the BAR measure appears reliable and valid for use in an undergraduate student population of binge drinkers. Future studies may want to re-examine this measure in a more diverse sample.

The effectiveness of platform screen doors for the prevention of subway suicides in South Korea.

PubMed

Chung, Yong Woon; Kang, Sung Jin; Matsubayashi, Tetsuya; Sawada, Yasuyuki; Ueda, Michiko

2016-04-01

Subway suicide can significantly impact the general public. Platform Screen Doors (PSDs) are considered to be an effective strategy to prevent suicides at subway stations, but the evidence on their effectiveness is limited. We assessed the effectiveness of installing half- and full-height platform screen doors in reducing subway suicides using Poisson regression analysis. Ten-year monthly panel data for 121 subway stations between 2003 and 2012 in the Seoul metropolitan area were used for the analysis. We found that installing PSDs decreases fatal suicide cases by 89% (95% CI: 57-97%). We also found that the installation of full-height PSDs resulted in the elimination of subway suicides by completely blocking access to the track area; however, half-height PSDs, which do not extend to the ceiling of the platform, were not as effective as full-height ones. Our findings were based on the data from a single subway operator for a limited period of time. Accordingly, we did not consider the possibility that some passengers choose to die at a station run by other operators. Our study did not examine the potential substitution effects of other suicide methods. Installing physical barriers at subway stations can be an effective strategy to reduce the number of subway suicides; however, half-height PSDs are not as effective as full-height ones, even when they are as high as the height of an adult. Thus, these barriers should be made high enough so that nobody can climb over them. Copyright © 2016 Elsevier B.V. All rights reserved.

Energy barriers, entropy barriers, and non-Arrhenius behavior in a minimal glassy model.

PubMed

Du, Xin; Weeks, Eric R

2016-06-01

We study glassy dynamics using a simulation of three soft Brownian particles confined to a two-dimensional circular region. If the circular region is large, the disks freely rearrange, but rearrangements are rarer for smaller system sizes. We directly measure a one-dimensional free-energy landscape characterizing the dynamics. This landscape has two local minima corresponding to the two distinct disk configurations, separated by a free-energy barrier that governs the rearrangement rate. We study several different interaction potentials and demonstrate that the free-energy barrier is composed of a potential-energy barrier and an entropic barrier. The heights of both of these barriers depend on temperature and system size, demonstrating how non-Arrhenius behavior can arise close to the glass transition.

Neck formation and deformation effects in a preformed cluster model of exotic cluster decays

NASA Astrophysics Data System (ADS)

Kumar, Satish; Gupta, Raj K.

1997-01-01

Using the nuclear proximity approach and the two center nuclear shape parametrization, the interaction potential between two deformed and pole-to-pole oriented nuclei forming a necked configuration in the overlap region is calculated and its role is studied for the cluster decay half-lives. The barrier is found to move to a larger relative separation, with its proximity minimum lying in the neighborhood of the Q value of decay and its height and width reduced considerably. For cluster decay calculations in the preformed cluster model of Malik and Gupta, due to deformations and orientations of nuclei, the (empirical) preformation factor is found to get reduced considerably and agrees nicely with other model calculations known to be successful for their predictions of cluster decay half-lives. Comparison with the earlier case of nuclei treated as spheres suggests that the effects of both deformations and neck formation get compensated by choosing the position of cluster preformation and the inner classical turning point for penetrability calculations at the touching configuration of spherical nuclei.

No Such Word as "Can't": The Uphill Struggle of the Black Classical Singer.

ERIC Educational Resources Information Center

Verdino-Sullwold, Carla Maria

1991-01-01

Although the difficulties encountered during the first half of the twentieth century by such singers as Paul Robeson, Marian Anderson, and Roland Hayes are history, the recent struggles of black classical singers for recognition illustrate current barriers. Several prominent black opera and concert artists recount their experiences. (SLD)

Effect of nanodimensional polyethylenimine layer on surface potential barriers of hybrid structures based on silicon single crystal

NASA Astrophysics Data System (ADS)

Malyar, Ivan V.; Gorin, Dmitry A.; Stetsyura, Svetlana V.

2013-01-01

In this report we present the analysis of I-V curves for MIS-structures like silicon substrate / nanodimensional polyelectrolyte layer / metal probe (contact) which is promising for biosensors, microfluidic chips, different devices of molecular electronics, such as OLEDs, solar cells, where polyelectrolyte layers can be used to modify semiconductor surface. The research is directed to investigate the contact phenomena which influence the resulting signal of devices mentioned above. The comparison of I-V characteristics of such structures measured by scanning tunnel microscopy (contactless technique) and using contact areas deposited by thermal evaporation onto the organic layer (the contact one) was carried out. The photoassisted I-V measurements and complex analysis based on Simmons and Schottky models allow one to extract the potential barriers and to observe the changes of charge transport in MIS-structures under illumination and after polyelectrolyte adsorption. The direct correlation between the thickness of the deposited polyelectrolyte layer and both equilibrium tunnel barrier and Schottky barrier height was observed for hybrid structures with polyethylenimine. The possibility of control over the I-V curves of hybrid structure and the height of the potential barriers (for different charge transports) by illumination was confirmed. Based on experimental data and complex analysis the band diagrams were plotted which illustrate the changes of potential barriers for MIS-structures due to the polyelectrolyte adsorption and under the illumination.

Analysis of high reverse currents of 4H-SiC Schottky-barrier diodes

NASA Astrophysics Data System (ADS)

Okino, Hiroyuki; Kameshiro, Norifumi; Konishi, Kumiko; Shima, Akio; Yamada, Ren-ichi

2017-12-01

Nickel (Ni), titanium (Ti), and molybdenum (Mo) 4H-silicon carbide Schottky-barrier diodes (SiC SBDs) were fabricated and used to investigate the relation between forward and reverse currents. Temperature dependence of reverse current follows a theory that includes tunneling in regard to thermionic emission, namely, temperature dependence is weak at low temperature but strong at high temperatures. On the other hand, the reverse currents of the Ni and Mo SBDs are higher than their respective currents calculated from their Schottky barrier heights (SBHs), whereas the reverse current of the Ti SBD agrees well with that calculated from its SBH. The cause of the high reverse currents was investigated from the viewpoints of low barrier patch, Gaussian distribution of barrier height (GD), thin surface barrier, and electron effective mass. The high reverse current of the Ni and Mo SBDs can be explained not in terms of a low-barrier patch, GD, or thin surface barrier but in terms of small effective masses. Investigation of crystal structures at the Schottky interface revealed a large lattice mismatch between the metals (Ni, Ti, or Mo) and SiC for the Ni and Mo SBDs. The small effective mass is possibly attributed to the large lattice mismatch, which might generate transition layers at the Schottky interface. It is concluded from these results that the lattice constant as well as the work function is an important factor in selecting the metal species as the Schottky metal for wide band-gap SBDs, for which tunneling current dominates reverse current.

Electronic Characterization of Au/DNA/ITO Metal-Semiconductor-Metal Diode and Its Application as a Radiation Sensor.

PubMed

Al-Ta'ii, Hassan Maktuff Jaber; Periasamy, Vengadesh; Amin, Yusoff Mohd

2016-01-01

Deoxyribonucleic acid or DNA molecules expressed as double-stranded (DSS) negatively charged polymer plays a significant role in electronic states of metal/silicon semiconductor structures. Electrical parameters of an Au/DNA/ITO device prepared using self-assembly method was studied by using current-voltage (I-V) characteristic measurements under alpha bombardment at room temperature. The results were analyzed using conventional thermionic emission model, Cheung and Cheung's method and Norde's technique to estimate the barrier height, ideality factor, series resistance and Richardson constant of the Au/DNA/ITO structure. Besides demonstrating a strongly rectifying (diode) characteristic, it was also observed that orderly fluctuations occur in various electrical parameters of the Schottky structure. Increasing alpha radiation effectively influences the series resistance, while the barrier height, ideality factor and interface state density parameters respond linearly. Barrier height determined from I-V measurements were calculated at 0.7284 eV for non-radiated, increasing to about 0.7883 eV in 0.036 Gy showing an increase for all doses. We also demonstrate the hypersensitivity phenomena effect by studying the relationship between the series resistance for the three methods, the ideality factor and low-dose radiation. Based on the results, sensitive alpha particle detectors can be realized using Au/DNA/ITO Schottky junction sensor.

Investigation of the CH{sub 3}Cl + CN{sup −} reaction in water: Multilevel quantum mechanics/molecular mechanics study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Yulong; College of Physics and Electronics, Shandong Normal University, Jinan 250014; Zhang, Jingxue

2015-06-28

The CH{sub 3}Cl + CN{sup −} reaction in water was studied using a multilevel quantum mechanics/molecular mechanics (MM) method with the multilevels, electrostatic potential, density functional theory (DFT) and coupled-cluster single double triple (CCSD(T)), for the solute region. The detailed, back-side attack S{sub N}2 reaction mechanism was mapped along the reaction pathway. The potentials of mean force were calculated under both the DFT and CCSD(T) levels for the reaction region. The CCSD(T)/MM level of theory presents a free energy activation barrier height at 20.3 kcal/mol, which agrees very well with the experiment value at 21.6 kcal/mol. The results show thatmore » the aqueous solution has a dominant role in shaping the potential of mean force. The solvation effect and the polarization effect together increase the activation barrier height by ∼11.4 kcal/mol: the solvation effect plays a major role by providing about 75% of the contribution, while polarization effect only contributes 25% to the activation barrier height. Our calculated potential of mean force under the CCSD(T)/MM also has a good agreement with the one estimated using data from previous gas-phase studies.« less

Electronic Characterization of Au/DNA/ITO Metal-Semiconductor-Metal Diode and Its Application as a Radiation Sensor

PubMed Central

Al-Ta’ii, Hassan Maktuff Jaber; Periasamy, Vengadesh; Amin, Yusoff Mohd

2016-01-01

Deoxyribonucleic acid or DNA molecules expressed as double-stranded (DSS) negatively charged polymer plays a significant role in electronic states of metal/silicon semiconductor structures. Electrical parameters of an Au/DNA/ITO device prepared using self-assembly method was studied by using current–voltage (I-V) characteristic measurements under alpha bombardment at room temperature. The results were analyzed using conventional thermionic emission model, Cheung and Cheung’s method and Norde’s technique to estimate the barrier height, ideality factor, series resistance and Richardson constant of the Au/DNA/ITO structure. Besides demonstrating a strongly rectifying (diode) characteristic, it was also observed that orderly fluctuations occur in various electrical parameters of the Schottky structure. Increasing alpha radiation effectively influences the series resistance, while the barrier height, ideality factor and interface state density parameters respond linearly. Barrier height determined from I–V measurements were calculated at 0.7284 eV for non-radiated, increasing to about 0.7883 eV in 0.036 Gy showing an increase for all doses. We also demonstrate the hypersensitivity phenomena effect by studying the relationship between the series resistance for the three methods, the ideality factor and low-dose radiation. Based on the results, sensitive alpha particle detectors can be realized using Au/DNA/ITO Schottky junction sensor. PMID:26799703

Surface morphological, electrical and transport properties of rapidly annealed double layers Ru/Cr Schottky structure on n-type InP

NASA Astrophysics Data System (ADS)

Shanthi Latha, K.; Rajagopal Reddy, V.

2017-07-01

The electrical and transport properties of a fabricated bilayer Ru/Cr/ n-InP Schottky diode (SD) have been investigated at different annealing temperatures. Atomic force microscopy results have showed that the overall surface morphology of the Ru/Cr/ n-InP SD is fairly smooth at elevated temperatures. High barrier height is achieved for the diode annealed at 300 °C compared to the as-deposited, annealed at 200 and 400 °C diodes. The series resistance and shunt resistance of the Ru/Cr/ n-InP SD are estimated by current-voltage method at different annealing temperatures. The barrier heights and series resistance are also determined by Cheung's and modified Norde functions. The interface state density of the Ru/Cr/ n-InP SD is found to be decreased after annealing at 300 °C and then slightly increased upon annealing at 400 °C. The difference between barrier heights obtained from current-voltage and capacitance-voltage is also discussed. Experimental results have showed that the Poole-Frenkel emission is found to be dominant in the lower bias region whereas Schottky emission is dominant in the higher bias region for the Ru/Cr/ n-InP SDs irrespective of annealing temperatures.

Forward Current Transport Mechanisms of Ni/Au—InAlN/AlN/GaN Schottky Diodes

NASA Astrophysics Data System (ADS)

Wang, Xiao-Feng; Shao, Zhen-Guang; Chen, Dun-Jun; Lu, Hai; Zhang, Rong; Zheng, You-Dou

2014-05-01

We fabricate two Ni/Au-In0.17Al0.83N/AlN/GaN Schottky diodes on substrates of sapphire and Si, respectively, and investigate their forward-bias current transport mechanisms by temperature-dependent current-voltage measurements. In the temperature range of 300-485 K, the Schottky barrier heights (SBHs) calculated by using the conventional thermionic-emission (TE) model are strongly positively dependent on temperature, which is in contrast to the negative-temperature-dependent characteristic of traditional semiconductor Schottky diodes. By fitting the forward-bias I-V characteristics using different current transport models, we find that the tunneling current model can describe generally the I-V behaviors in the entire measured range of temperature. Under the high forward bias, the traditional TE mechanism also gives a good fit to the measured I-V data, and the actual barrier heights calculated according to the fitting TE curve are 1.434 and 1.413 eV at 300K for InAlN/AlN/GaN Schottky diodes on Si and the sapphire substrate, respectively, and the barrier height shows a slightly negative temperature coefficient. In addition, a formula is given to estimate SBHs of Ni/Au—InAlN/AlN/GaN Schottky diodes taking the Fermi-level pinning effect into account.

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

PubMed

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.

Dietary l-threonine supplementation attenuates lipopolysaccharide-induced inflammatory responses and intestinal barrier damage of broiler chickens at an early age.

PubMed

Chen, Yueping; Zhang, Hao; Cheng, Yefei; Li, Yue; Wen, Chao; Zhou, Yanmin

2018-06-01

This study was conducted to investigate the protective effects of l-threonine (l-Thr) supplementation on growth performance, inflammatory responses and intestinal barrier function of young broilers challenged with lipopolysaccharide (LPS). A total of 144 1-d-old male chicks were allocated to one of three treatments: non-challenged broilers fed a basal diet (control group), LPS-challenged broilers fed a basal diet without l-Thr supplementation and LPS-challenged broilers fed a basal diet supplemented with 3·0 g/kg l-Thr. LPS challenge was performed intraperitoneally at 17, 19 and 21 d of age, whereas the control group received physiological saline injection. Compared with the control group, LPS challenge impaired growth performance of broilers, and l-Thr administration reversed LPS-induced increase in feed/gain ratio. LPS challenge elevated blood cell counts related to inflammation, and pro-inflammatory cytokine concentrations in serum (IL-1β and TNF-α), spleen (IL-1β and TNF-α) and intestinal mucosa (jejunal interferon-γ (IFN-γ) and ileal IL-1β). The concentrations of intestinal cytokines in LPS-challenged broilers were reduced by l-Thr supplementation. LPS administration increased circulating d-lactic acid concentration, whereas it reduced villus height, the ratio between villus height and crypt depth and goblet density in both jejunum and ileum. LPS-induced decreases in jejunal villus height, intestinal villus height:crypt depth ratio and ileal goblet cell density were reversed with l-Thr supplementation. Similarly, LPS-induced alterations in the intestinal mRNA abundances of genes related to intestinal inflammation and barrier function (jejunal toll-like receptor 4, IFN- γ and claudin-3, and ileal IL-1 β and zonula occludens-1) were normalised with l-Thr administration. It can be concluded that l-Thr supplementation could attenuate LPS-induced inflammatory responses and intestinal barrier damage of young broilers.

Electrical parameters of Au/n-GaN and Pt/n-GaN Schottky diodes

NASA Astrophysics Data System (ADS)

Kadaoui, Mustapha Amine; Bouiadjra, Wadi Bachir; Saidane, Abdelkader; Belahsene, Sofiane; Ramdane, Abderrahim

2015-06-01

Electrical properties of Si-doped GaN epitaxial layers, grown on a c-plane sapphire substrate by MOCVD to form Schottky diodes with Gold (Au) and platinum (Pt) and using Ti/Al/Au as Ohmic contact, are investigated. Characterization was performed through I-V and C-V-f measurements at room temperature. Schottky barrier height (Φb), ideality factor (n), and series resistance (Rs) were extracted from forward I-V characteriztics using Cheung and Lien methods. Φb, doping concentration (Nd) and Rs frequency dependence were extracted from C-V-f characteriztics. Pt/n-GaN shows a non-linear behavior with a barrier height of 0.63 eV, an ideality factor of 2.3, and series resistance of 63 Ω. Au/n-GaN behaves like two diodes in parallel with two barrier heights of (0.83 and 0.9 eV), two ideality factors of (5.8 and 3.18) and two series resistance of (10.6 and 68 Ω). Interface state properties in both samples have been investigated taking into account the bias dependence of the effective barrier height. The amount of stimulated traps along the energy-gap at the interface increases with voltage bias, which increases NSS exponentially from 4.24 ṡ 1013 to 3.67 ṡ 1014 eV-1 cm-2 in the range (Ec - 0.17) to (Ec - 0.61) eV for Pt/n-GaN, and from 2.3 ṡ 1013 to 1.14 ṡ 1014 eV-1 cm-2, in the range (Ec - 0.31) to (Ec - 0.82) eV for Au/n-GaN. The values of interface states density and series resistance for both samples are found to decrease with increasing frequency. Peak intensity was a measure of active interface states. C-V-f results confirm the model of the Schottky diode with a native interfacial insulator layer along the space charge region.

How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?

DOE PAGES

Mardirossian, Narbe; Head-Gordon, Martin

2016-08-18

The 14 Minnesota density functionals published between the years 2005 and early 2016 are benchmarked on a comprehensive database of 4986 data points (84 data sets) involving molecules composed of main-group elements. The database includes noncovalent interactions, isomerization energies, thermochemistry, and barrier heights, as well as equilibrium bond lengths and equilibrium binding energies of noncovalent dimers. Additionally, the sensitivity of the Minnesota density functionals to the choice of basis set and integration grid is explored for both noncovalent interactions and thermochemistry. By and large, the main strength of the hybrid Minnesota density functionals is that the best ones provide verymore » good performance for thermochemistry (e.g., M06-2X), barrier heights (e.g., M08-HX, M08-SO, MN15), and systems heavily characterized by self-interaction error (e.g., M06-2X, M08-HX, M08-SO, MN15), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-2X is recommended from the 10 hybrid Minnesota functionals). Similarly, the main strength of the local Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., MN15-L), barrier heights (e.g., MN12-L), and systems heavily characterized by self-interaction error (e.g., MN12-L and MN15-L), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-L is clearly the best from the four local Minnesota functionals). Finally, as an overall guide, M06-2X and MN15 are perhaps the most broadly useful hybrid Minnesota functionals, while M06-L and MN15-L are perhaps the most broadly useful local Minnesota functionals, although each has different strengths and weaknesses.« less

FIBER AND INTEGRATED OPTICS: Problems involved in the profiling of quantum wells and barriers for optoelectronic applications

NASA Astrophysics Data System (ADS)

Eliseev, P. G.; Zakhar'ev, B. N.

1992-10-01

Some important problems concerning the profiling of the potential energy in quantum-well lasers are discussed. The goals being sought are to introduce a relative shift of the levels of localized states, to introduce an energy gap, and to reduce the transmission of barriers without increasing their height.

Transition path time distribution and the transition path free energy barrier.

PubMed

Pollak, Eli

2016-10-19

The recent experimental measurement of the transition path time distributions of proteins presents several challenges to theory. Firstly, why do the fits of the experimental data to a theoretical expression lead to barrier heights which are much lower than the free energies of activation of the observed transitions? Secondly, there is the theoretical question of determining the transition path time distribution, without invoking the Smoluchowski limit. In this paper, we derive an exact expression for a transition path time distribution which is valid for arbitrary memory friction using the normal mode transformation which underlies Kramers' rate theory. We then recall that for low barriers, there is a noticeable difference between the transition path time distribution obtained with absorbing boundary conditions and free boundary conditions. For the former, the transition times are shorter, since recrossings of the boundaries are disallowed. As a result, if one uses the distribution based on absorbing boundary conditions to fit the experimental data, one will find that the transition path barrier will be larger than the values found based on a theory with free boundary conditions. We then introduce the paradigm of a transition path barrier height, and show that one should always expect it to be much smaller than the activation energy.

The Influence of High-Energy Electrons Irradiation on Surface of n-GaP and on Au/n-GaP/Al Schottky Barrier Diode

NASA Astrophysics Data System (ADS)

Demir, K. Çinar; Kurudirek, S. V.; Oz, S.; Biber, M.; Aydoğan, Ş.; Şahin, Y.; Coşkun, C.

We fabricated 25 Au/n-GaP/Al Schottky devices and investigated the influence of high electron irradiation, which has 12MeV on the devices, at room temperature. The X-ray diffraction patterns, scanning electron microscopic images and Raman spectra of a gallium phosphide (GaP) semiconductor before and after electron irradiation have been analyzed. Furthermore, some electrical measurements of the devices were carried out through the current-voltage (I-V) and capacitance-voltage (C-V) measurements. From the I-V characteristics, experimental ideality factor n and barrier height Φ values of these Schottky diodes have been determined before and after irradiation, respectively. The results have also been analyzed statically, and a gauss distribution has been obtained. The built-in potential Vbi, barrier height Φ, Fermi level EF and donor concentration Nd values have been determined from the reverse bias C-V and C-2-V curves of Au/n-GaP/Al Schottky barrier diodes at 100kHz before and after 12MeV electron irradiation. Furthermore, we obtained the series resistance values of Au/n-GaP/Al Schottky barrier diodes with the help of different methods. Experimental results confirmed that the electrical characterization of the device changed with the electron irradiation.

Fear of heights and visual height intolerance.

PubMed

Brandt, Thomas; Huppert, Doreen

2014-02-01

The aim of this review is, first, to cover the different aspects of visual height intolerance such as historical descriptions, definition of terms, phenomenology of the condition, neurophysiological control of gaze, stance and locomotion, and therapy, and, second, to identify warranted epidemiological and experimental studies. Vivid descriptions of fear of heights can be found in ancient texts from the Greek, Roman, and Chinese classics. The life-time prevalence of visual height intolerance is as high as 28% in the general population, and about 50% of those who are susceptible report an impact on quality of life. When exposed to heights, visual exploration by eye and head movements is restricted, and the velocity of locomotion is reduced. Therapy for fear of heights is dominated by the behavioral techniques applied during real or virtual reality exposure. Their efficacy might be facilitated by the administration of D-cycloserine or glucocorticoids. Visual height intolerance has a considerable impact on daily life and interpersonal interactions. It is much more frequent than fear of heights, which is defined as an environmental subtype of a specific phobia. There is certainly a continuum stretching from acrophobia to a less-pronounced visual height intolerance, to which the categorical distinction of a specific phobia does not apply.

Calculation of the Schottky barrier and current–voltage characteristics of metal–alloy structures based on silicon carbide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Altuhov, V. I., E-mail: altukhovv@mail.ru; Kasyanenko, I. S.; Sankin, A. V.

2016-09-15

A simple but nonlinear model of the defect density at a metal–semiconductor interface, when a Schottky barrier is formed by surface defects states localized at the interface, is developed. It is shown that taking the nonlinear dependence of the Fermi level on the defect density into account leads to a Schottky barrier increase by 15–25%. The calculated barrier heights are used to analyze the current–voltage characteristics of n-M/p-(SiC){sub 1–x}(AlN){sub x} structures. The results of calculations are compared to experimental data.

A Classical Delphi Study to Identify the Barriers of Pursuing Green Information and Communication Technologies

ERIC Educational Resources Information Center

Gotay, Jose Antonio

2013-01-01

This qualitative, classical Delphi study served to explore the apparent lack of corporate commitment to prioritized Green Information Communication Technologies (ICTs), which could delay the economic and social benefits for maximizing the use of natural energy resources in a weak economy. The purpose of this study was to examine the leadership…

Enhancing the effective energy barrier of a Dy(III) SMM using a bridged diamagnetic Zn(II) ion.

PubMed

Upadhyay, Apoorva; Singh, Saurabh Kumar; Das, Chinmoy; Mondol, Ranajit; Langley, Stuart K; Murray, Keith S; Rajaraman, Gopalan; Shanmugam, Maheswaran

2014-08-18

Field induced single-molecule-magnet behaviour is observed for both a heterodinuclear [ZnDy(L(-))2](3+) complex (1) and a mononuclear [Dy(HL)2](3+) complex (2), with effective energy barriers of 83 cm(-1) and 16 cm(-1), respectively. Insights into the relaxation mechanism(s) and barrier heights are provided via ab initio and DFT calculations. Our findings reveal an interesting observation that the U(eff) of SMMs can be enhanced by incorporating diamagnetic metal ions.

Atropisomerization in N-aryl-2(1H)-pyrimidin-(thi)ones: a ring-opening/rotation/ring-closure process in place of a classical rotation around the pivot bond.

PubMed

Najahi, Ennaji; Vanthuyne, Nicolas; Nepveu, Françoise; Jean, Marion; Alkorta, Ibon; Elguero, José; Roussel, Christian

2013-12-20

Uncatalyzed racemization processes in atropisomeric diphenyl-like frameworks are classically described as the result of the rotation around the pivotal single bond linking two planar frameworks. Severe constraints leading to more or less distorted transition states account for the experimental barrier to atropenantiomerization. In 1988, one of us hypothesized that, in N-aryl-2(1H)-pyrimidin-(thi)ones, a ring-opening/ring-closure process was contributing to the observed racemization process accounting for the lower barriers in the sulfur analogues than in oxygen analogues. Now, a series of six novel 6-amino-5-cyano-1,4-disubstituted-2(1H)-pyrimidinones 5a-5f and two 6-amino-5-cyano-4-p-tolyl-1-substituted-2(1H)-pyrimidinethiones 6a and 6b were synthesized and characterized through spectroscopic and X-ray diffraction studies. Semipreparative HPLC chiral separation was achieved, and enantiomerization barriers were obtained by thermal racemization. The rotational barriers of 6-amino-5-cyano-1-o-tolyl-4-p-tolyl-2(1H)-pyrimidinone (5b) and 6-amino-5-cyano-1-(naphthalen-1-yl)-4-p-tolyl-2(1H)-pyrimidinone (5e) were found to be 120.4 and 125.1 kJ·mol(-1) (n-BuOH, 117 °C), respectively, and those of the corresponding thiones were 116.8 and 109.6 kJ·mol(-1) (EtOH, 78 °C), respectively. DFT calculations of the rotational barriers clearly ruled out the classical rotation around the pivotal bond with distorted transition states in the case of the sulfur derivatives. Instead, the ranking of the experimental barriers (sulfur versus oxygen, and o-tolyl versus 1-naphthyl in both series) was nicely reproduced by calculations when the rotation occurred via a ring-opened form in N-aryl-2(1H)-pyrimidinethiones.

Pressure effect on hydrogen tunneling and vibrational spectrum in α-Mn

DOE PAGES

Kolesnikov, Alexander I; Podlesnyak, Andrey A; Sadykov, Ravil A.; ...

2016-10-03

Here in this paper, the pressure effect on the tunneling mode and vibrational spectra of hydrogen in α-MnH0.07 has been studied by inelastic neutron scattering. Applying hydrostatic pressure of up to 30 kbar is shown to shift both the hydrogen optical modes and the tunneling peak to higher energies. First-principles calculations show that the potential for hydrogen in α-Mn becomes overall steeper with increasing pressure. At the same time, the barrier height and its extent in the direction of tunneling decrease and the calculations predict significant changes of the dynamics of hydrogen in α-Mn at 100 kbar, when the estimatedmore » tunneling splitting of the hydrogen ground state exceeds the barrier height.« less

Sputter deposition of indium tin oxide onto zinc pthalocyanine: Chemical and electronic properties of the interface studied by photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Gassmann, Jürgen; Brötz, Joachim; Klein, Andreas

2012-02-01

The interface chemistry and the energy band alignment at the interface formed during sputter deposition of transparent conducting indium tin oxide (ITO) onto the organic semiconductor zinc phtalocyanine (ZnPc), which is important for inverted, transparent, and stacked organic light emitting diodes, is studied by in situ photoelectron spectroscopy (XPS and UPS). ITO was sputtered at room temperature and a low power density with a face to face arrangement of the target and substrate. With these deposition conditions, no chemical reaction and a low barrier height for charge injection at this interface are observed. The barrier height is comparable to those observed for the reverse deposition sequence, which also confirms the absence of sputter damage.

Pressure effect on hydrogen tunneling and vibrational spectrum in α-Mn

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolesnikov, Alexander I; Podlesnyak, Andrey A; Sadykov, Ravil A.

Here in this paper, the pressure effect on the tunneling mode and vibrational spectra of hydrogen in α-MnH0.07 has been studied by inelastic neutron scattering. Applying hydrostatic pressure of up to 30 kbar is shown to shift both the hydrogen optical modes and the tunneling peak to higher energies. First-principles calculations show that the potential for hydrogen in α-Mn becomes overall steeper with increasing pressure. At the same time, the barrier height and its extent in the direction of tunneling decrease and the calculations predict significant changes of the dynamics of hydrogen in α-Mn at 100 kbar, when the estimatedmore » tunneling splitting of the hydrogen ground state exceeds the barrier height.« less

Electronic transport and Schottky barrier heights of p-type CuAlO2 Schottky diodes

NASA Astrophysics Data System (ADS)

Lin, Yow-Jon; Luo, Jie; Hung, Hao-Che

2013-05-01

A CuAlO2 Schottky diode was fabricated and investigated using current density-voltage (J-V) and capacitance-voltage (C-V) methods. It is shown that the barrier height (qϕB) determined from J-V measurements is lower than that determined from C-V measurements and qϕB determined from C-V measurements is close to the Schottky limit. This is due to a combined effect of the image-force lowering and tunneling. Time domain measurements provide evidence of the domination of electron trapping with long-second lifetime in CuAlO2. Carrier capture and emission from charge traps may lead to the increased probability of tunneling, increasing the ideality factor.

Classical vs. non-classical pathways of mineral formation (Invited)

NASA Astrophysics Data System (ADS)

De Yoreo, J. J.

2013-12-01

Recent chemical analyses, microscopy studies and computer simulations suggest many minerals nucleate through aggregation of pre-nucleation clusters and grow by particle-mediated processes that involve amorphous or disordered precursors. Still other analyses, both experimental and computational, conclude that even simple mineral systems like calcium carbonate form via a barrier-free process of liquid-liquid separation, which is followed by dehydration of the ion-rich phase to form the solid products. However, careful measurements of calcite nucleation rates on a variety of ionized surfaces give results that are in complete agreement with the expectations of classical nucleation theory, in which clusters growing through ion-by-ion addition overcome a free energy barrier through the natural microscopic density fluctuations of the system. Here the challenge of integrating these seemingly disparate observations and analyses into a coherent picture of mineral formation is addressed by considering the energy barriers to calcite formation predicted by the classical theory and the changes in those barriers brought about by the introduction of interfaces and clusters, both stable and metastable. Results from a suite of in situ TEM, AFM, and optical experiments combined with simulations are used to illustrate the conclusions. The analyses show that the expected barrier to homogeneous calcite nucleation is prohibitive even at concentrations exceeding the solubility limit of amorphous calcium carbonate. However, as demonstrated by experiments on self-assembled monolayers, the introduction of surfaces that moderately decrease the interfacial energy associated with the forming nucleus can reduce the magnitude of the barrier to a level that is easily surmounted under typical laboratory conditions. In the absence of such surfaces, experiments that proceed by continually increasing supersaturation with time can easily by-pass direct nucleation of calcite and open up pathways through all other solid phases, as well as dense liquid phases associated with a spinodal. Simulations predict that this phase boundary lies within the region of the calcium carbonate - water phase diagram accessible at room temperature. AFM and TEM analyses of other mineral systems, particularly calcium phosphate, suggest cluster aggregation can play important roles both in modifying barriers and in biasing pathways towards or away from amorphous phases. Most importantly, analysis of the energetic changes shows that barriers are only reduced if the clusters are metastable relative to the free ions and that the reduction is naturally accompanied by a bias towards formation of amorphous precursors. Finally, results from in situ TEM observations of nanoparticle interactions are used to understand the mechanisms controlling particle-mediated growth following formation of primary nuclei of either crystalline phases or disordered precursors. Measurements of the particle speeds and accelerations are used to estimate the magnitude of the attractive potential that drives particle-particle aggregation.

A sensitivity-based approach to optimize the surface treatment of a low-height tramway noise barrier

NASA Astrophysics Data System (ADS)

Jolibois, Alexandre

Transportation noise has become a main nuisance in urban areas, in the industrialized world and across the world, to the point that according to the World Health Organization 65% of the European population is exposed to excessive noise and 20% to night-time levels that may harm their health. There is therefore a need to find new ways to mitigate transportation noise in urban areas. In this work, a possible device to achieve this goal is studied: a low-height noise barrier. It consists of a barrier typically less than one meter high placed close to the source, designed to decrease significantly the noise level for nearby pedestrians and cyclists. A numerical method which optimizes the surface treatment of a low-height barrier in order to increase its insertion loss is presented. Tramway noise barriers are especially studied since the noise sources are in this case close to the ground and would be attenuated more by the barrier. The acoustic behavior of the surface treatment is modeled via its admittance. It can be itself described by a few parameters (flow resistivity, geometrical dimensions...), which can then be optimized. It is proposed to couple porous layers and micro-perforated panel (MPP) resonators in order to take advantage of their different acoustic properties. Moreover, the optimization is achieved using a sensitivity-based method, since in this framework the gradient of the attenuation can be evaluated accurately and efficiently. Several shapes are considered: half-cylinder, quarter-cylinder, straight wall, T-shape and square shape. In the case of a half-cylindrical geometry, a semi-analytical solution for the sound field in terms of a series of cylindrical waves is derived, which simplifies the sensitivity calculation and optimization process. The boundary element method (BEM) is used to evaluate the attenuation for the remaining shapes, and in this case the sensitivity is evaluated using the adjoint state approach. For all considered geometries, it is found that placing an absorbing treatment close to the source is indeed necessary to attenuate the multiple re ections happening between the tramway and the barrier, and that a tuned MPP resonator on the top of the barrier can yield better performance than a uniform absorbent treatment. More advanced numerical modeling and scale model measurements seem to confirm these results.

Barrier height enhancement of metal/semiconductor contact by an enzyme biofilm interlayer

NASA Astrophysics Data System (ADS)

Ocak, Yusuf Selim; Gul Guven, Reyhan; Tombak, Ahmet; Kilicoglu, Tahsin; Guven, Kemal; Dogru, Mehmet

2013-06-01

A metal/interlayer/semiconductor (Al/enzyme/p-Si) MIS device was fabricated using α-amylase enzyme as a thin biofilm interlayer. It was observed that the device showed an excellent rectifying behavior and the barrier height value of 0.78 eV for Al/α-amylase/p-Si was meaningfully larger than the one of 0.58 eV for conventional Al/p-Si metal/semiconductor (MS) contact. Enhancement of the interfacial potential barrier of Al/p-Si MS diode was realized using enzyme interlayer by influencing the space charge region of Si semiconductor. The electrical properties of the structure were executed by the help of current-voltage and capacitance-voltage measurements. The photovoltaic properties of the structure were executed under a solar simulator with AM1.5 global filter between 40 and 100 mW/cm2 illumination conditions. It was also reported that the α-amylase enzyme produced from Bacillus licheniformis had a 3.65 eV band gap value obtained from optical method.

Richardson constant and electrostatics in transfer-free CVD grown few-layer MoS2/graphene barristor with Schottky barrier modulation >0.6eV

NASA Astrophysics Data System (ADS)

Jahangir, Ifat; Uddin, M. Ahsan; Singh, Amol K.; Koley, Goutam; Chandrashekhar, M. V. S.

2017-10-01

We demonstrate a large area MoS2/graphene barristor, using a transfer-free method for producing 3-5 monolayer (ML) thick MoS2. The gate-controlled diodes show good rectification, with an ON/OFF ratio of ˜103. The temperature dependent back-gated study reveals Richardson's coefficient to be 80.3 ± 18.4 A/cm2/K and a mean electron effective mass of (0.66 ± 0.15)m0. Capacitance and current based measurements show the effective barrier height to vary over a large range of 0.24-0.91 eV due to incomplete field screening through the thin MoS2. Finally, we show that this barristor shows significant visible photoresponse, scaling with the Schottky barrier height. A response time of ˜10 s suggests that photoconductive gain is present in this device, resulting in high external quantum efficiency.

Improved transfer of graphene for gated Schottky-junction, vertical, organic, field-effect transistors.

PubMed

Lemaitre, Maxime G; Donoghue, Evan P; McCarthy, Mitchell A; Liu, Bo; Tongay, Sefaattin; Gila, Brent; Kumar, Purushottam; Singh, Rajiv K; Appleton, Bill R; Rinzler, Andrew G

2012-10-23

An improved process for graphene transfer was used to demonstrate high performance graphene enabled vertical organic field effect transistors (G-VFETs). The process reduces disorder and eliminates the polymeric residue that typically plagues transferred films. The method also allows for purposely creating pores in the graphene of a controlled areal density. Transconductance observed in G-VFETs fabricated with a continuous (pore-free) graphene source electrode is attributed to modulation of the contact barrier height between the graphene and organic semiconductor due to a gate field induced Fermi level shift in the low density of electronic-states graphene electrode. Pores introduced in the graphene source electrode are shown to boost the G-VFET performance, which scales with the areal pore density taking advantage of both barrier height lowering and tunnel barrier thinning. Devices with areal pore densities of 20% exhibit on/off ratios and output current densities exceeding 10(6) and 200 mA/cm(2), respectively, at drain voltages below 5 V.

Relationship between final height and health outcomes in adults with congenital adrenal hyperplasia: United Kingdom congenital adrenal hyperplasia adult study executive (CaHASE).

PubMed

Han, T S; Conway, G S; Willis, D S; Krone, N; Rees, D A; Stimson, R H; Arlt, W; Walker, B R; Ross, R J

2014-08-01

Treatment of congenital adrenal hyperplasia (CAH) in childhood focuses on growth and development and adult final height (FH) is a measure of effective treatment. We hypothesized that shorter adults will have more severe underlying disease and worse health outcomes. This was a cross-sectional analysis of 199 adults with CAH. FH and quality of life were expressed as z-scores adjusted for midparental target height or UK population height. FH correlated inversely with age (men, r = -0.38; women, r = -0.26, P < .01). Men and women had z-scores adjusted for midparental target height of -2 and -1, respectively, and both groups had UK population height z-scores of -1 below the UK population (P < .01). In women, FH was shorter in non-salt-wasting than salt-wasting classic CAH (P < .05) and in moderately affected genotype group B women than either more severely affected groups null and A (P < .01) or the mildest group C (P < .001). Short stature and a higher prevalence of hypertension were observed in classic CAH patients diagnosed late (after 1 y) compared with those diagnosed early and in women treated with glucocorticoid only compared with those treated with both glucocorticoids and mineralocorticoids (P < .05). FH did not associate with insulin sensitivity, lipid profile, adiposity, or quality of life. Adult CAH patients remain short, although height prognosis has improved over time. The shortest adults are those diagnosed late with moderate severity CAH and are at increased risk of adult hypertension; we hypothesize that these patients are exposed in childhood to high androgens and/or excessive glucocorticoids with potential programming of hypertension. Another possibility is inadequate mineralocorticoid treatment early in life in the late-diagnosed patient group. Prospective studies are now required to examine these hypotheses.

Electrical properties and interface state energy distributions of Cr/n-Si Schottky barrier diode

NASA Astrophysics Data System (ADS)

Karataş, Şükrü; Yildirim, Nezir; Türüt, Abdülmecit

2013-12-01

In this study, the electrical characteristics of the Cr/n-type Si (MS) Schottky barrier diode have been investigated by the current-voltage (I-V) and capacitance-voltage (C-V) measurements at 300 K temperature. Using the thermionic emission theory, the values of ideality factor and the barrier height have been obtained to be 1.22, 0.71 and 1.01, 0.83 eV, from the results of the I-V and C-V measurements, respectively. The barrier height (Φb) and the series resistance (RS) obtained from Norde’s function have been compared with those obtained from Cheung functions, and a good agreement between the results of both methods was seen. The interface state density (NSS) calculated without the RS is obtained to be increasing exponentially with bias from 2.40 × 1012 cm-2 eV-1 in (EC-0.623) eV to 1.94 × 1014 cm-2 eV-1 in (EC-0.495) eV, also, the NSS obtained taking into account the RS has increased exponentially with bias from 2.07 × 1012 cm-2 eV-1 to 1.47 × 1014 cm-2 eV-1 in the same interval.

Ferroelectric-field-effect-enhanced electroresistance in metal/ferroelectric/semiconductor tunnel junctions

NASA Astrophysics Data System (ADS)

Wen, Zheng; Li, Chen; Wu, Di; Li, Aidong; Ming, Naiben

2013-07-01

Ferroelectric tunnel junctions (FTJs), composed of two metal electrodes separated by an ultrathin ferroelectric barrier, have attracted much attention as promising candidates for non-volatile resistive memories. Theoretical and experimental works have revealed that the tunnelling resistance switching in FTJs originates mainly from a ferroelectric modulation on the barrier height. However, in these devices, modulation on the barrier width is very limited, although the tunnelling transmittance depends on it exponentially as well. Here we propose a novel tunnelling heterostructure by replacing one of the metal electrodes in a normal FTJ with a heavily doped semiconductor. In these metal/ferroelectric/semiconductor FTJs, not only the height but also the width of the barrier can be electrically modulated as a result of a ferroelectric field effect, leading to a greatly enhanced tunnelling electroresistance. This idea is implemented in Pt/BaTiO3/Nb:SrTiO3 heterostructures, in which an ON/OFF conductance ratio above 104, about one to two orders greater than those reported in normal FTJs, can be achieved at room temperature. The giant tunnelling electroresistance, reliable switching reproducibility and long data retention observed in these metal/ferroelectric/semiconductor FTJs suggest their great potential in non-destructive readout non-volatile memories.

Spin-Polarization in Quasi-Magnetic Tunnel Junctions

NASA Astrophysics Data System (ADS)

Xie, Zheng-Wei; Li, Ling

2017-05-01

Spin polarization in ferromagnetic metal/insulator/spin-filter barrier/nonmagnetic metal, referred to as quasi-magnetic tunnel junctions, is studied within the free-electron model. Our results show that large positive or negative spin-polarization can be obtained at high bias in quasi-magnetic tunnel junctions, and within large bias variation regions, the degree of spin-polarization can be linearly tuned by bias. These linear variation regions of spin-polarization with bias are influenced by the barrier thicknesses, barrier heights and molecular fields in the spin-filter (SF) layer. Among them, the variations of thickness and heights of the insulating and SF barrier layers have influence on the value of spin-polarization and the linear variation regions of spin-polarization with bias. However, the variations of molecular field in the SF layer only have influence on the values of the spin-polarization and the influences on the linear variation regions of spin-polarization with bias are slight. Supported by the Key Natural Science Fund of Sichuan Province Education Department under Grant Nos 13ZA0149 and 16ZA0047, and the Construction Plan for Scientific Research Innovation Team of Universities in Sichuan Province under Grant No 12TD008.

Tunable Schottky barrier and high responsivity in graphene/Si-nanotip optoelectronic device

NASA Astrophysics Data System (ADS)

Di Bartolomeo, Antonio; Giubileo, Filippo; Luongo, Giuseppe; Iemmo, Laura; Martucciello, Nadia; Niu, Gang; Fraschke, Mirko; Skibitzki, Oliver; Schroeder, Thomas; Lupina, Grzegorz

2017-03-01

We demonstrate tunable Schottky barrier height and record photo-responsivity in a new-concept device made of a single-layer CVD graphene transferred onto a matrix of nanotips patterned on n-type Si wafer. The original layout, where nano-sized graphene/Si heterojunctions alternate to graphene areas exposed to the electric field of the Si substrate, which acts both as diode cathode and transistor gate, results in a two-terminal barristor with single-bias control of the Schottky barrier. The nanotip patterning favors light absorption, and the enhancement of the electric field at the tip apex improves photo-charge separation and enables internal gain by impact ionization. These features render the device a photodetector with responsivity (3 {{A}} {{{W}}}-1 for white LED light at 3 {{mW}} {{{cm}}}-2 intensity) almost an order of magnitude higher than commercial photodiodes. We extensively characterize the voltage and the temperature dependence of the device parameters, and prove that the multi-junction approach does not add extra-inhomogeneity to the Schottky barrier height distribution. We also introduce a new phenomenological graphene/semiconductor diode equation, which well describes the experimental I-V characteristics both in forward and reverse bias.

Current-induced changes of migration energy barriers in graphene and carbon nanotubes

NASA Astrophysics Data System (ADS)

Obodo, J. T.; Rungger, I.; Sanvito, S.; Schwingenschlögl, U.

2016-05-01

An electron current can move atoms in a nanoscale device with important consequences for the device operation and breakdown. We perform first principles calculations aimed at evaluating the possibility of changing the energy barriers for atom migration in carbon-based systems. In particular, we consider the migration of adatoms and defects in graphene and carbon nanotubes. Although the current-induced forces are large for both the systems, in graphene the force component along the migration path is small and therefore the barrier height is little affected by the current flow. In contrast, the same barrier is significantly reduced in carbon nanotubes as the current increases. Our work also provides a real-system numerical demonstration that current-induced forces within density functional theory are non-conservative.An electron current can move atoms in a nanoscale device with important consequences for the device operation and breakdown. We perform first principles calculations aimed at evaluating the possibility of changing the energy barriers for atom migration in carbon-based systems. In particular, we consider the migration of adatoms and defects in graphene and carbon nanotubes. Although the current-induced forces are large for both the systems, in graphene the force component along the migration path is small and therefore the barrier height is little affected by the current flow. In contrast, the same barrier is significantly reduced in carbon nanotubes as the current increases. Our work also provides a real-system numerical demonstration that current-induced forces within density functional theory are non-conservative. Electronic supplementary information (ESI) available. See DOI: 10.1039/C6NR00534A

Calculation of multidimensional potential energy surfaces for even-even transuranium nuclei: systematic investigation of the triaxiality effect on the fission barrier

NASA Astrophysics Data System (ADS)

Chai, Qing-Zhen; Zhao, Wei-Juan; Liu, Min-Liang; Wang, Hua-Lei

2018-05-01

Static fission barriers for 95 even-even transuranium nuclei with charge number Z = 94–118 have been systematically investigated by means of pairing self-consistent Woods-Saxon-Strutinsky calculations using the potential energy surface approach in multidimensional (β 2, γ, β 4) deformation space. Taking the heavier 252Cf nucleus (with the available fission barrier from experiment) as an example, the formation of the fission barrier and the influence of macroscopic, shell and pairing correction energies on it are analyzed. The results of the present calculated β 2 values and barrier heights are compared with previous calculations and available experiments. The role of triaxiality in the region of the first saddle is discussed. It is found that the second fission barrier is also considerably affected by the triaxial deformation degree of freedom in some nuclei (e.g., the Z=112–118 isotopes). Based on the potential energy curves, general trends of the evolution of the fission barrier heights and widths as a function of the nucleon numbers are investigated. In addition, the effects of Woods-Saxon potential parameter modifications (e.g., the strength of the spin-orbit coupling and the nuclear surface diffuseness) on the fission barrier are briefly discussed. Supported by National Natural Science Foundation of China (11675148, 11505157), the Project of Youth Backbone Teachers of Colleges and Universities of Henan Province (2017GGJS008), the Foundation and Advanced Technology Research Program of Henan Province (162300410222), the Outstanding Young Talent Research Fund of Zhengzhou University (1521317002) and the Physics Research and Development Program of Zhengzhou University (32410017)

A model to non-uniform Ni Schottky contact on SiC annealed at elevated temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pristavu, G.; Brezeanu, G.; Badila, M.

2015-06-29

Ni Schottky contacts on SiC have a nonideal behavior, with strong temperature dependence of the electrical parameters, caused by a mixed barrier on the contact area and interface states. A simple analytical model that establishes a quantitative correlation between Schottky contact parameter variation with temperature and barrier height non-uniformity is proposed. A Schottky contact surface with double Schottky barrier is considered. The main model parameters are the lower barrier (Φ{sub Bn,l}) and a p factor which quantitatively evaluates the barrier non-uniformity on the Schottky contact area. The model is validated on Ni/4H-SiC Schottky contacts, post metallization sintered at high temperatures.more » The measured I{sub F}–V{sub F}–T characteristics, selected so as not to be affected by interface states, were used for model correlation. An inhomogeneous double Schottky barrier (with both nickel silicide and Ni droplets at the interface) is formed by a rapid thermal annealing (RTA) at 750 °C. High values of the p parameter are obtained from samples annealed at this temperature, using the proposed model. A significant improvement in the electrical properties occurs following RTA at 800 °C. The expansion of the Ni{sub 2}Si phase on the whole contact area is evinced by an X-Ray diffraction investigation. In this case, the p factor is much lower, attesting the uniformity of the contact. The model makes it possible to evaluate the real Schottky barrier, for a homogenous Schottky contact. Using data measured on samples annealed at 800 °C, a true barrier height of around 1.73 V has been obtained for Ni{sub 2}Si/4H-SiC Schottky contacts.« less

Conduction and rectification in NbO x - and NiO-based metal-insulator-metal diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Osgood, Richard M.; Giardini, Stephen; Carlson, Joel

2016-09-01

Conduction and rectification in nanoantenna-coupled NbOx- and NiO-based metal-insulator-metal (MIM) diodes ('nanorectennas') are studied by comparing new theoretical predictions with the measured response of nanorectenna arrays. A new quantum mechanical model is reported and agrees with measurements of current-voltage (I-V) curves, over 10 orders of magnitude in current density, from [NbOx(native)-Nb2O5]- and NiO-based samples with oxide thicknesses in the range of 5-36 nm. The model, which introduces new physics and features, including temperature, electron effective mass, and image potential effects using the pseudobarrier technique, improves upon widely used earlier models, calculates the MIM diode's I-V curve, and predicts quantitatively themore » rectification responsivity of high frequency voltages generated in a coupled nanoantenna array by visible/near-infrared light. The model applies both at the higher frequencies, when high-energy photons are incident, and at lower frequencies, when the formula for classical rectification, involving derivatives of the I-V curve, may be used. The rectified low-frequency direct current is well-predicted in this work's model, but not by fitting the experimentally measured I-V curve with a polynomial or by using the older Simmons model (as shown herein). By fitting the measured I-V curves with our model, the barrier heights in Nb-(NbOx(native)-Nb2O5)-Pt and Ni-NiO-Ti/Ag diodes are found to be 0.41/0.77 and 0.38/0.39 eV, respectively, similar to literature reports, but with effective mass much lower than the free space value. The NbOx (native)-Nb2O5 dielectric properties improve, and the effective Pt-Nb2O5 barrier height increases as the oxide thickness increases. An observation of direct current of ~4 nA for normally incident, focused 514 nm continuous wave laser beams are reported, similar in magnitude to recent reports. This measured direct current is compared to the prediction for rectified direct current, given by the rectification responsivity, calculated from the I-V curve times input power.« less

Molecular series-tunneling junctions.

PubMed

Liao, Kung-Ching; Hsu, Liang-Yan; Bowers, Carleen M; Rabitz, Herschel; Whitesides, George M

2015-05-13

Charge transport through junctions consisting of insulating molecular units is a quantum phenomenon that cannot be described adequately by classical circuit laws. This paper explores tunneling current densities in self-assembled monolayer (SAM)-based junctions with the structure Ag(TS)/O2C-R1-R2-H//Ga2O3/EGaIn, where Ag(TS) is template-stripped silver and EGaIn is the eutectic alloy of gallium and indium; R1 and R2 refer to two classes of insulating molecular units-(CH2)n and (C6H4)m-that are connected in series and have different tunneling decay constants in the Simmons equation. These junctions can be analyzed as a form of series-tunneling junctions based on the observation that permuting the order of R1 and R2 in the junction does not alter the overall rate of charge transport. By using the Ag/O2C interface, this system decouples the highest occupied molecular orbital (HOMO, which is localized on the carboxylate group) from strong interactions with the R1 and R2 units. The differences in rates of tunneling are thus determined by the electronic structure of the groups R1 and R2; these differences are not influenced by the order of R1 and R2 in the SAM. In an electrical potential model that rationalizes this observation, R1 and R2 contribute independently to the height of the barrier. This model explicitly assumes that contributions to rates of tunneling from the Ag(TS)/O2C and H//Ga2O3 interfaces are constant across the series examined. The current density of these series-tunneling junctions can be described by J(V) = J0(V) exp(-β1d1 - β2d2), where J(V) is the current density (A/cm(2)) at applied voltage V and βi and di are the parameters describing the attenuation of the tunneling current through a rectangular tunneling barrier, with width d and a height related to the attenuation factor β.

Fission barriers at the end of the chart of the nuclides

NASA Astrophysics Data System (ADS)

Möller, Peter; Sierk, Arnold J.; Ichikawa, Takatoshi; Iwamoto, Akira; Mumpower, Matthew

2015-02-01

We present calculated fission-barrier heights for 5239 nuclides for all nuclei between the proton and neutron drip lines with 171 ≤A ≤330 . The barriers are calculated in the macroscopic-microscopic finite-range liquid-drop model with a 2002 set of macroscopic-model parameters. The saddle-point energies are determined from potential-energy surfaces based on more than 5 000 000 different shapes, defined by five deformation parameters in the three-quadratic-surface shape parametrization: elongation, neck diameter, left-fragment spheroidal deformation, right-fragment spheroidal deformation, and nascent-fragment mass asymmetry. The energy of the ground state is determined by calculating the lowest-energy configuration in both the Nilsson perturbed-spheroid (ɛ ) and the spherical-harmonic (β ) parametrizations, including axially asymmetric deformations. The lower of the two results (correcting for zero-point motion) is defined as the ground-state energy. The effect of axial asymmetry on the inner barrier peak is calculated in the (ɛ ,γ ) parametrization. We have earlier benchmarked our calculated barrier heights to experimentally extracted barrier parameters and found average agreement to about 1 MeV for known data across the nuclear chart. Here we do additional benchmarks and investigate the qualitative and, when possible, quantitative agreement and/or consistency with data on β -delayed fission, isotope generation along prompt-neutron-capture chains in nuclear-weapons tests, and superheavy-element stability. These studies all indicate that the model is realistic at considerable distances in Z and N from the region of nuclei where its parameters were determined.

Counting the stunted children in a population: a criticism of old and new approaches and a conciliatory proposal.

PubMed

Monteiro, C A

1991-01-01

Two methods for estimating the prevalence of growth retardation in a population are evaluated: the classical method, which is based on the proportion of children whose height is more than 2 standard deviations below the expected mean of a reference population; and a new method recently proposed by Mora, which is based on the whole height distribution of observed and reference populations. Application of the classical method to several simulated populations leads to the conclusion that in most situations in developing countries the prevalence of growth retardation is grossly underestimated, and reflects only the presence of severe growth deficits. A second constraint with this method is a marked reduction of the relative differentials between more and less exposed strata. Application of Mora's method to the same simulated populations reduced but did not eliminate these constraints. A novel method for estimating the prevalence of growth retardation, which is based also on the whole height distribution of observed and reference populations, is also described and evaluated. This method produces better estimates of the true prevalence of growth retardation with no reduction in relative differentials.

Head-body ratio as a visual cue for stature in people and sculptural art.

PubMed

Mather, George

2010-01-01

Body size is crucial for determining the outcome of competition for resources and mates. Many species use acoustic cues to measure caller body size. Vision is the pre-eminent sense for humans, but visual depth cues are of limited utility in judgments of absolute body size. The reliability of internal body proportion as a potential cue to stature was assessed with a large sample of anthropometric data, and the ratio of head height to body height (HBR) was found to be highly correlated with stature. A psychophysical experiment was carried out to investigate whether the cue actually influences stature judgments. Participants were shown pairs of photographs of human figures in which HBR had been manipulated systematically, and asked to select the figure that appeared taller. Results showed that figures with a relatively small HBR were consistently perceived as taller than figures with a relatively large HBR. Many classical statues such as Michelangelo's David depart from the classical proportions defined in Leonardo's Vitruvian Man. A supplementary experiment showed that perceived stature in classical statues also depends on HBR. Michelangelo's David was created with the HBR of a man 165 cm (5 ft 5 in) tall.

Detection of alpha particles using DNA/Al Schottky junctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Al-Ta'ii, Hassan Maktuff Jaber, E-mail: hassankirkukly@gmail.com, E-mail: vengadeshp@um.edu.my; Department of Physics, Faculty of Science, University of Al-Muthana, Al-Muthana 66001; Periasamy, Vengadesh, E-mail: hassankirkukly@gmail.com, E-mail: vengadeshp@um.edu.my

2015-09-21

Deoxyribonucleic acid or DNA can be utilized in an organic-metallic rectifying structure to detect radiation, especially alpha particles. This has become much more important in recent years due to crucial environmental detection needs in both peace and war. In this work, we fabricated an aluminum (Al)/DNA/Al structure and generated current–voltage characteristics upon exposure to alpha radiation. Two models were utilized to investigate these current profiles; the standard conventional thermionic emission model and Cheung and Cheung's method. Using these models, the barrier height, Richardson constant, ideality factor and series resistance of the metal-DNA-metal structure were analyzed in real time. The barriermore » height, Φ value calculated using the conventional method for non-radiated structure was 0.7149 eV, increasing to 0.7367 eV after 4 min of radiation. Barrier height values were observed to increase after 20, 30 and 40 min of radiation, except for 6, 8, and 10 min, which registered a decrease of about 0.67 eV. This was in comparison using Cheung and Cheung's method, which registered 0.6983 eV and 0.7528 eV for the non-radiated and 2 min of radiation, respectively. The barrier height values, meanwhile, were observed to decrease after 4 (0.61 eV) to 40 min (0.6945 eV). The study shows that conventional thermionic emission model could be practically utilized for estimating the diode parameters including the effect of series resistance. These changes in the electronic properties of the Al/DNA/Al junctions could therefore be utilized in the manufacture of sensitive alpha particle sensors.« less

Proton Transfer Dynamics at the Membrane/Water Interface: Dependence on the Fixed and Mobile pH Buffers, on the Size and Form of Membrane Particles, and on the Interfacial Potential Barrier

PubMed Central

Cherepanov, Dmitry A.; Junge, Wolfgang; Mulkidjanian, Armen Y.

2004-01-01

Crossing the membrane/water interface is an indispensable step in the transmembrane proton transfer. Elsewhere we have shown that the low dielectric permittivity of the surface water gives rise to a potential barrier for ions, so that the surface pH can deviate from that in the bulk water at steady operation of proton pumps. Here we addressed the retardation in the pulsed proton transfer across the interface as observed when light-triggered membrane proton pumps ejected or captured protons. By solving the system of diffusion equations we analyzed how the proton relaxation depends on the concentration of mobile pH buffers, on the surface buffer capacity, on the form and size of membrane particles, and on the height of the potential barrier. The fit of experimental data on proton relaxation in chromatophore vesicles from phototropic bacteria and in bacteriorhodopsin-containing membranes yielded estimates for the interfacial potential barrier for H+/OH− ions of ∼120 meV. We analyzed published data on the acceleration of proton equilibration by anionic pH buffers and found that the height of the interfacial barrier correlated with their electric charge ranging from 90 to 120 meV for the singly charged species to >360 meV for the tetra-charged pyranine. PMID:14747306

Determination of Torsional Barriers of Itaconic Acid and N-Acetylethanolamine Using Chirped-Pulsed Ftmw Spectroscopy

NASA Astrophysics Data System (ADS)

Bailey, Josiah R.; McMahon, Timothy J.; Bird, Ryan G.; Pratt, David

2015-06-01

The ground state rotational spectrum of itaconic acid (methylenesuccinic acid) and N-acetylethanolamine (AEA) have been collected and analyzed over the frequency range of 7-17.5 GHz. Both molecules displayed an unexpected tunneling splitting pattern caused by a V2 and V3 barriers, respectively. AEA's methyl rotor is directly connected to a carbonyl and is expected to have too high of a barrier to internal motion. Itaconic acid contains no methyl groups or any symmetry, yet a torsional splitting was observed. The origin of this motion as well their barrier heights and lowest energy conformations will be discussed.

Impenetrable barriers for positrons in neighbourhood of superheavy nuclei with Z>118

NASA Astrophysics Data System (ADS)

Neznamov, V. P.

2017-12-01

Analysis of quantum mechanical motion of charged half-spin particles in the repulsive Coulomb field results in that an impenetrable potential barrier not explored earlier was found. For a particle at rest with a reduced mass m, the barrier radius is equal to half classical radius: the barrier radius decreases with increase in the particle energy. For the stable and quasi-stable nuclei with Z > 118, presence of an impenetrable barrier as β +-decay leads to the existence of “traps” for positrons in the neighbourhood of nuclei and as Zcr ≃ 170 (with emission of electron-positron pairs by vacuum) leads to the existence of a quasi-constant source of annihilation quanta.

Tropospheric - Stratospheric Tidal Investigations. Part 2. The Vertical Structure of Atmospheric Oscillations Formulated by Classical Tidal Theory

DTIC Science & Technology

1981-02-28

in a form that may be applied to a numerical integracion scheme (Lindzen, 1968). It is now possible to express the upward energy flux at x >X L in...from tre setting up of a dependence on multiple reflexions between tiorizontal surfaces at different heights which are critically dependent on basic...longer horizontal and by integratJiw of the non-classical equations multiple reflexions and resuLtinr sensitivities are found to oe largely removed

Evaluation of screen barriers on redbay trees to protect them from Xyleborus glabratus (Coleoptera: Curculionidae: Scolytinae) and distribution of initial attacks in relation to stem moisture content, diameter, and height

Treesearch

M. Lake Maner; James Hanula; S. Kristine Braman

2013-01-01

Fine mesh screen was used to create a physical barrier to prevent redbay ambrosia beetles, Xyleborus glabratus Eichhoff (Coleoptera: Curculionidae: Scolytinae), from accessing various parts of the boles of redbay trees, Persea borbonia (L.) Sprengel, and infecting them with the laurel wilt fungus, Raffaelea lauricola...

Effects of ageing on the electrical characteristics of Zn/ZnS/n-GaAs/In structure

NASA Astrophysics Data System (ADS)

Güzeldir, B.; Sağlam, M.

2016-04-01

Zn/ZnS/n-GaAs/In structure has been fabricated by the Successive Ionic Layer Adsorption and Reaction (SILAR) method and the influence of the time dependent or ageing on the characteristic parameters are examined. The current-voltage (I-V) of the structure have been measured immediately, 1, 3, 5, 15, 30, 45, 60, 75, 90, 105, 120, 135, 150 and 165 days after fabrication of this structure. The characteristics parameters of this structure such as barrier height, ideality factor, series resistance are calculated from the I-V measurements. It has been seen that the changes of characteristic parameters such as barrier height, ideality factor and series resistance of Zn/ZnS/n-GaAs/In structure have lightly changed with increasing ageing time.

Fermi level de-pinning of aluminium contacts to n-type germanium using thin atomic layer deposited layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gajula, D. R., E-mail: dgajula01@qub.ac.uk; Baine, P.; Armstrong, B. M.

Fermi-level pinning of aluminium on n-type germanium (n-Ge) was reduced by insertion of a thin interfacial dielectric by atomic layer deposition. The barrier height for aluminium contacts on n-Ge was reduced from 0.7 eV to a value of 0.28 eV for a thin Al{sub 2}O{sub 3} interfacial layer (∼2.8 nm). For diodes with an Al{sub 2}O{sub 3} interfacial layer, the contact resistance started to increase for layer thicknesses above 2.8 nm. For diodes with a HfO{sub 2} interfacial layer, the barrier height was also reduced but the contact resistance increased dramatically for layer thicknesses above 1.5 nm.

Capacitance-voltage characterization of Al/Al2O3/PVA-PbSe MIS diode

NASA Astrophysics Data System (ADS)

Gawri, Isha; Sharma, Mamta; Jindal, Silky; Singh, Harpreet; Tripathi, S. K.

2018-05-01

The present paper reports the capacitance-voltage characterization of Al/Al2O3/PVA-PbSe MIS diode using chemical bath deposition method. Here anodic alumina layer prepared using electrolytic deposition method on Al substrate is used as insulating material. Using the capacitance-voltage variation at a fixed frequency, the different parameters such as Depletion layer width, Barrier height, Built-in voltage and Carrier concentration has been calculated at room temperature as well as at temperature range from 123 K to 323 K. With the increase in temperature the barrier height and depletion layer width follow a decreasing trend. Therefore, the capacitance-voltage characterization at different temperatures characterization provides strong evidence that the properties of MIS diode are primarily affected by diode parameters.

Electrical characterization of n/p-type nickel silicide/silicon junctions by Sb segregation.

PubMed

Jun, Myungsim; Park, Youngsam; Hyun, Younghoon; Choi, Sung-Jin; Zyung, Taehyung; Jang, Moongyu

2011-08-01

In this paper, n/p-type nickel-silicided Schottky diodes were fabricated by incorporating antimony atoms near the nickel silicide/Si junction interface and the electrical characteristics were studied through measurements and simulations. The effective Schottky barrier height (SBH) for electron, extracted from the thermionic emission model, drastically decreased from 0.68 to less than 0.1 eV while that for hole slightly increased from 0.43 to 0.53 eV. In order to identify the current conduction mechanisms, the experimental current-temperature-voltage characteristics for the n-type diode were fitted based on various models for transport of charge carrier in Schottky diodes. As the result, the large change in effective SBH for electron is ascribed to trap-assisted tunneling rather than barrier height inhomogeneity.

Densely-packed ZnTPPs Monolayer on the Rutile TiO2(110)-(1×1) Surface: Adsorption Behavior and Energy Level Alignment

PubMed Central

Rangan, Sylvie; Ruggieri, Charles; Bartynski, Robert; Martínez, José Ignacio; Flores, Fernando; Ortega, José

2016-01-01

The adsorption of a densely packed Zinc(II) tetraphenylporphyrin monolayer on a rutile TiO2(110)-(1×1) surface has been studied using a combination of experimental and theoretical methods, aimed at analyzing the relation between adsorption behavior and barrier height formation. The adsorption configuration of ZnTPP was determined from scanning tunnel microscopy (STM) imaging, density functional theory (DFT) calculations and STM image simulation. The corresponding energy alignment was experimentally determined from X-ray and UV-photoemission spectroscopies and inverse photoemission spectroscopy. These results were found in good agreement with an appropriately corrected DFT model, pointing to the importance of local bonding and intermolecular interactions in the establishment of barrier heights. PMID:26998188

Step edge influence on barrier height and contact area in vertical heterojunctions between epitaxial graphene and n-type 4H-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tadjer, M. J., E-mail: marko.tadjer.ctr@nrl.navy.mil; Nyakiti, L. O.; Robinson, Z.

2014-02-17

Vertical rectifying contacts of epitaxial graphene grown by Si sublimation on the Si-face of 4H-SiC epilayers were investigated. Forward bias preferential conduction through the step edges was correlated by linear current density normalization. This phenomenon was observed on samples with 2.7–5.8 monolayers of epitaxial graphene as determined by X-ray photoelectron spectroscopy. A modified Richardson plot was implemented to extract the barrier height (0.81 eV at 290 K, 0.99 eV at 30 K) and the electrically dominant SiC step length of a Ti/Al contact overlapping a known region of approximately 0.52 μm wide SiC terraces.

Generation of valley-polarized electron beam in bilayer graphene

NASA Astrophysics Data System (ADS)

Park, Changsoo

2015-12-01

We propose a method to produce valley-polarized electron beams using a bilayer graphene npn junction. By analyzing the transmission properties of electrons through the junction with zigzag interface in the presence of trigonal warping, we observe that there exist a range of incident energies and barrier heights in which transmitted electrons are well polarized and collimated. From this observation and by performing numerical simulations, it is demonstrated that valley-dependent electronic currents with nearly perfect polarization can be generated. We also show that the peak-to-peak separation angle between the polarized currents is tunable either by incident energy or by barrier height each of which is controlled by using top and back gate voltages. The results can be used for constructing an electron beam splitter to produce valley-polarized currents.

Formic acid catalyzed hydrolysis of SO3 in the gas phase: a barrierless mechanism for sulfuric acid production of potential atmospheric importance.

PubMed

Hazra, Montu K; Sinha, Amitabha

2011-11-02

Computational studies at the B3LYP/6-311++G(3df,3pd) and MP2/6-311++G(3df,3pd) levels are performed to explore the changes in reaction barrier height for the gas phase hydrolysis of SO(3) to form H(2)SO(4) in the presence of a single formic acid (FA) molecule. For comparison, we have also performed calculations for the reference reaction involving water assisted hydrolysis of SO(3) at the same level. Our results show that the FA assisted hydrolysis of SO(3) to form H(2)SO(4) is effectively a barrierless process. The barrier heights for the isomerization of the SO(3)···H(2)O···FA prereactive collision complex, which is the rate limiting step in the FA assisted hydrolysis, are found to be respectively 0.59 and 0.08 kcal/mol at the B3LYP/6-311++G(3df,3pd) and MP2/6-311++G(3df,3pd) levels. This is substantially lower than the ~7 kcal/mol barrier for the corresponding step in the hydrolysis of SO(3) by two water molecules--which is currently the accepted mechanism for atmospheric sulfuric acid production. Simple kinetic analysis of the relative rates suggests that the reduction in barrier height facilitated by FA, combined with the greater stability of the prereactive SO(3)···H(2)O···FA collision complex compared to SO(3)···H(2)O···H(2)O and the rather plentiful atmospheric abundance of FA, makes the formic acid mediated hydrolysis reaction a potentially important pathway for atmospheric sulfuric acid production.

Quantum coherence in the reflection of above barrier wavepackets

NASA Astrophysics Data System (ADS)

Petersen, Jakob; Pollak, Eli

2018-02-01

The quantum phenomenon of above barrier reflection is investigated from a time-dependent perspective using Gaussian wavepackets. The transition path time distribution, which in principle is experimentally measurable, is used to study the mean flight times ⟨t⟩R and ⟨t⟩T associated with the reflection and the transmission over the barrier paying special attention to their dependence on the width of the barrier. Both flight times, and their difference Δt, exhibit two distinct regimes depending on the ratio of the spatial width of the incident wavepacket and the length of the barrier. When the ratio is larger than unity, the reflection and transmission dynamics are coherent and dominated by the resonances above the barrier. The flight times ⟨t⟩R/T and the flight time difference Δt oscillate as a function of the barrier width (almost in phase with the transmission probability). These oscillations reflect a momentum filtering effect related to the coherent superposition of the reflected and transmitted waves. For a ratio less than unity, the barrier reflection and transmission dynamics are incoherent and the oscillations are absent. The barrier width which separates the coherent and incoherent regimes is identified analytically. The oscillatory structure of the time difference Δt as a function of the barrier width in the coherent regime is absent when considered in terms of the Wigner phase time delays for reflection and transmission. We conclude that the Wigner phase time does not correctly describe the temporal properties of above barrier reflection. We also find that the structure of the reflected and transmitted wavepackets depends on the coherence of the process. In the coherent regime, the wavepackets can have an overlapping peak structure, but the peaks are not fully resolved. In the incoherent regime, the wavepackets split in time into distinct separated Gaussian like waves, each one reflecting the number of times the wavepacket crosses the barrier region before exiting. A classical Wigner approximation, using classical trajectories which upon reaching an edge of the barrier are reflected or transmitted as if the edge was a step potential, is quantitative in the incoherent regime. The implications of the coherence observed on resonance reactive scattering are discussed.

Computational Study of Chemical Reactivity Using Information-Theoretic Quantities from Density Functional Reactivity Theory for Electrophilic Aromatic Substitution Reactions.

PubMed

Wu, Wenjie; Wu, Zemin; Rong, Chunying; Lu, Tian; Huang, Ying; Liu, Shubin

2015-07-23

The electrophilic aromatic substitution for nitration, halogenation, sulfonation, and acylation is a vastly important category of chemical transformation. Its reactivity and regioselectivity is predominantly determined by nucleophilicity of carbon atoms on the aromatic ring, which in return is immensely influenced by the group that is attached to the aromatic ring a priori. In this work, taking advantage of recent developments in quantifying nucleophilicity (electrophilicity) with descriptors from the information-theoretic approach in density functional reactivity theory, we examine the reactivity properties of this reaction system from three perspectives. These include scaling patterns of information-theoretic quantities such as Shannon entropy, Fisher information, Ghosh-Berkowitz-Parr entropy and information gain at both molecular and atomic levels, quantitative predictions of the barrier height with both Hirshfeld charge and information gain, and energetic decomposition analyses of the barrier height for the reactions. To that end, we focused in this work on the identity reaction of the monosubstituted-benzene molecule reacting with hydrogen fluoride using boron trifluoride as the catalyst in the gas phase. We also considered 19 substituting groups, 9 of which are ortho/para directing and the other 9 meta directing, besides the case of R = -H. Similar scaling patterns for these information-theoretic quantities found for stable species elsewhere were disclosed for these reactions systems. We also unveiled novel scaling patterns for information gain at the atomic level. The barrier height of the reactions can reliably be predicted by using both the Hirshfeld charge and information gain at the regioselective carbon atom. The energy decomposition analysis ensued yields an unambiguous picture about the origin of the barrier height, where we showed that it is the electrostatic interaction that plays the dominant role, while the roles played by exchange-correlation and steric effects are minor but indispensable. Results obtained in this work should shed new light for better understanding of the factors governing the reactivity for this class of reactions and assisting ongoing efforts for the design of new and more efficient catalysts for such kind of transformations.

Selectivity trend of gas separation through nanoporous graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Hongjun; Chen, Zhongfang; Dai, Sheng

2015-04-15

By means of molecular dynamics (MD) simulations, we demonstrate that porous graphene can efficiently separate gases according to their molecular sizes. The flux sequence from the classical MD simulation is H{sub 2}>CO{sub 2}≫N{sub 2}>Ar>CH{sub 4}, which generally follows the trend in the kinetic diameters. This trend is also confirmed from the fluxes based on the computed free energy barriers for gas permeation using the umbrella sampling method and kinetic theory of gases. Both brute-force MD simulations and free-energy calcualtions lead to the flux trend consistent with experiments. Case studies of two compositions of CO{sub 2}/N{sub 2} mixtures further demonstrate themore » separation capability of nanoporous graphene. - Graphical abstract: Classical molecular dynamics simulations show the flux trend of H{sub 2}>CO{sub 2}≫N{sub 2}>Ar>CH{sub 4} for their permeation through a porous graphene, in excellent agreement with a recent experiment. - Highlights: • Classical MD simulations show the flux trend of H{sub 2}>CO{sub 2}≫N{sub 2}>Ar>CH{sub 4} for their permeation through a porous graphene. • Free energy calculations yield permeation barriers for those gases. • Selectivities for several gas pairs are estimated from the free-energy barriers and the kinetic theory of gases. • The selectivity trend is in excellent agreement with a recent experiment.« less

Fission barriers at the end of the chart of the nuclides

DOE PAGES

Möller, Peter; Sierk, Arnold J.; Ichikawa, Takatoshi; ...

2015-02-12

We present calculated fission-barrier heights for 5239 nuclides for all nuclei between the proton and neutron drip lines with 171 ≤ A ≤ 330. The barriers are calculated in the macroscopic-microscopic finite-range liquid-drop (FRLDM) with a 2002 set of macroscopic-model parameters. The saddle-point energies are determined from potential-energy surfaces based on more than five million different shapes, defined by five deformation parameters in the three-quadratic-surface shape parametrization: elongation, neck diameter, left-fragment spheroidal deformation, right-fragment spheroidal deformation, and nascent-fragment mass asymmetry. The energy of the ground state is determined by calculating the lowest-energy configuration in both the Nilsson perturbed-spheroid (ϵ) andmore » the spherical-harmonic (β) parametrizations, including axially asymmetric deformations. The lower of the two results (correcting for zero-point motion) is defined as the ground-state energy. The effect of axial asymmetry on the inner barrier peak is calculated in the (ϵ,γ) parametrization. We have earlier benchmarked our calculated barrier heights to experimentally extracted barrier parameters and found average agreement to about one MeV for known data across the nuclear chart. Here we do additional benchmarks and investigate the qualitative and, when possible, quantitative agreement and/or consistency with data on β-delayed fission, isotope generation along prompt-neutron-capture chains in nuclear-weapons tests, and superheavy-element stability. In addition these studies all indicate that the model is realistic at considerable distances in Z and N from the region of nuclei where its parameters were determined.« less

Contact doping, Klein tunneling, and asymmetry of shot noise in suspended graphene

NASA Astrophysics Data System (ADS)

Laitinen, Antti; Paraoanu, G. S.; Oksanen, Mika; Craciun, Monica F.; Russo, Saverio; Sonin, Edouard; Hakonen, Pertti

2016-01-01

The inherent asymmetry of the electric transport in graphene is attributed to Klein tunneling across barriers defined by p n interfaces between positively and negatively charged regions. By combining conductance and shot noise experiments, we determine the main characteristics of the tunneling barrier (height and slope) in a high-quality suspended sample with Au/Cr/Au contacts. We observe an asymmetric resistance Rodd=100 -70 Ω across the Dirac point of the suspended graphene at carrier density | nG|=(0.3 -4 ) × 1011cm-2 , while the Fano factor displays a nonmonotonic asymmetry in the range Fodd˜0.03 -0.1. Our findings agree with analytical calculations based on the Dirac equation with a trapezoidal barrier. Comparison between the model and the data yields the barrier height for tunneling, an estimate of the thickness of the p n interface d <20 nm, and the contact region doping corresponding to a Fermi level offset of ˜-18 meV. The strength of pinning of the Fermi level under the metallic contact is characterized in terms of the contact capacitance Cc=19 ×10-6 F/cm2 . Additionally, we show that the gate voltage corresponding to the Dirac point is given by the difference in work functions between the backgate material and graphene.

Chemical failure modes of AlQ3-based OLEDs: AlQ3 hydrolysis.

PubMed

Knox, John E; Halls, Mathew D; Hratchian, Hrant P; Schlegel, H Bernhard

2006-03-28

Tris(8-hydroxyquinoline)aluminum(III), AlQ3, is used in organic light-emitting diodes (OLEDs) as an electron-transport material and emitting layer. The reaction of AlQ3 with trace H2O has been implicated as a major failure pathway for AlQ3-based OLEDs. Hybrid density functional calculations have been carried out to characterize the hydrolysis of AlQ3. The thermochemical and atomistic details for this important reaction are reported for both the neutral and oxidized AlQ3/AlQ3+ systems. In support of experimental conclusions, the neutral hydrolysis reaction pathway is found to be a thermally activated process, having a classical barrier height of 24.2 kcal mol(-1). First-principles infrared and electronic absorption spectra are compared to further characterize AlQ3 and the hydrolysis pathway product, AlQ2OH. The activation energy for the cationic AlQ3 hydrolysis pathway is found to be 8.5 kcal mol(-1) lower than for the neutral reaction, which is significant since it suggests a role for charge imbalance in promoting chemical failure modes in OLED devices.

Escape rate for nonequilibrium processes dominated by strong non-detailed balance force

NASA Astrophysics Data System (ADS)

Tang, Ying; Xu, Song; Ao, Ping

2018-02-01

Quantifying the escape rate from a meta-stable state is essential to understand a wide range of dynamical processes. Kramers' classical rate formula is the product of an exponential function of the potential barrier height and a pre-factor related to the friction coefficient. Although many applications of the rate formula focused on the exponential term, the prefactor can have a significant effect on the escape rate in certain parameter regions, such as the overdamped limit and the underdamped limit. There have been continuous interests to understand the effect of non-detailed balance on the escape rate; however, how the prefactor behaves under strong non-detailed balance force remains elusive. In this work, we find that the escape rate formula has a vanishing prefactor with decreasing friction strength under the strong non-detailed balance limit. We both obtain analytical solutions in specific examples and provide a derivation for more general cases. We further verify the result by simulations and propose a testable experimental system of a charged Brownian particle in electromagnetic field. Our study demonstrates that a special care is required to estimate the effect of prefactor on the escape rate when non-detailed balance force dominates.

Energy Levels in Quantum Wells.

NASA Astrophysics Data System (ADS)

Zang, Jan Xin

Normalized analytical equations for eigenstates of an arbitrary one-dimensional configuration of square potentials in a well have been derived. The general formulation is used to evaluate the energy levels of a particle in a very deep potential well containing seven internal barriers. The configuration can be considered as a finite superlattice sample or as a simplified model for a sample with only several atom layers. The results are shown in graphical forms as functions of the height and width of the potential barriers and as functions of the ratio of the effective mass in barrier to the mass in well. The formation of energy bands and surface eigenstates from eigenstates of a deep single well, the coming close of two energy bands and a surface state which are separate ordinarily, and mixing of the wave function of a surface state with the bulk energy bands are seen. Then the normalized derivation is extended to study the effect of a uniform electric field applied across a one-dimensional well containing an internal configuration of square potentials The general formulation is used to calculate the electric field dependence of the energy levels of a deep well with five internal barriers. Typical results are shown in graphical forms as functions of the barrier height, barrier width, barrier effective mass and the field strength. The formation of Stark ladders and surface states from the eigenstates of a single deep well in an electric field, the localization process of wave functions with changing barrier height, width, and field strength and their anticrossing behaviors are seen. The energy levels of a hydrogenic impurity in a uniform medium and in a uniform magnetic field are calculated with variational methods. The energy eigenvalues for the eigenstates with major quantum number less than or equal to 3 are obtained. The results are consistent with previous results. Furthermore, the energy levels of a hydrogenic impurity at the bottom of a one-dimensional parabolic quantum well with a magnetic field normal to the plane of the well are calculated with the finite-basis-set variational method. The limit of small radial distance and the limit of great radial distance are considered to choose a set of proper basis functions. It is found that the energy levels increase with increasing parabolic parameter alpha and increase with increasing normalized magnetic field strength gamma except those levels with magnetic quantum number m < 0 at small gamma.

Capacitance and conductance-frequency characteristics of In-pSi Schottky barrier diode

NASA Astrophysics Data System (ADS)

Dhimmar, J. M.; Desai, H. N.; Modi, B. P.

2015-06-01

The Schottky barrier height (SBH) values have been calculated by using the reverse bias capacitance-voltage (C-V) characteristics at temperature range of 120-360K. The forward bias capacitance-frequency (C-f) and conductance- frequency (G-f) measurement of In-pSi SBD have been carried out from 0-1.0 V with a step up 0.05 V whereby the energy distribution of the interface state has been determined from the forward bias I-V data taking the bias dependence of the effective barrier height and series resistance (RS) into account. The high value of ideality factor (n=2.12) was attributing to high density of interface states and interfacial oxide layer at metal semiconductor interface. The interface state density (NSS) shows a decrease with bias from bottom of conduction band toward the mid gap. In order to examine frequency dependence NSS, RS, C-V and G(ω)/ω-f measurement of the diode were performed at room temperature in the frequency range of 100Hz-100KHz. Experimental result confirmed that there is an influence in the electrical characteristic of Schottky diode.

Diester Molecules for Organic-Based Electrical and Photoelectrical Devices

NASA Astrophysics Data System (ADS)

Topal, Giray; Tombak, Ahmet; Yigitalp, Esref; Batibay, Derya; Kilicoglu, Tahsin; Ocak, Yusuf Selim

2017-07-01

Diester derivatives of terephthalic acid molecules were synthesized according to the literature. Au/Diester derivatives/ n-Si organic-inorganic (OI) heterojunction-type devices were fabricated, and the current-voltage ( I- V) characteristics of the devices have been investigated at room temperature. I- V characteristics demonstrated that all diodes had excellent rectification properties. Primary diode parameters such as series resistance and barrier height were extracted by using semi-log I- V plots and Norde methods, and were compared. It was seen that there was a substantial agreement between results obtained from two methods. Calculated barrier height values were about the same with 0.02-eV differences that were attributed to the series resistance. Ideality factors, which show how the diode closes to ideal diodes, were also extracted from semi-log I- V plots. Thus, the modification of the Au/ n-Si diode potential barrier was accomplished using diester derivatives as an interlayer. The I- V measurements were repeated to characterize the devices at 100 mW/cm2 illumination intensity with the help of a solar simulator with an AM1.5G filter.

The effect of magnetic field on chiral transmission in p-n-p graphene junctions.

PubMed

Li, Yuan; Wan, Qi; Peng, Yingzi; Wang, Guanqing; Qian, Zhenghong; Zhou, Guanghui; Jalil, Mansoor B A

2015-12-18

We investigate Klein tunneling in graphene heterojunctions under the influence of a perpendicular magnetic field via the non-equilibrium Green's function method. We find that the angular dependence of electron transmission is deflected sideways, resulting in the suppression of normally incident electrons and overall decrease in conductance. The off-normal symmetry axis of the transmission profile was analytically derived. Overall tunneling conductance decreases to almost zero regardless of the potential barrier height V0 when the magnetic field (B-field) exceeds a critical value, thus achieving effective confinement of Dirac fermions. The critical field occurs when the width of the magnetic field region matches the diameter of the cyclotron orbit. The potential barrier also induces distinct Fabry-Pérot fringe patterns, with a "constriction region" of low transmission when V0 is close to the Fermi energy. Application of B-field deflects the Fabry-Pérot interference pattern to an off-normal angle. Thus, the conductance of the graphene heterojunctions can be sharply modulated by adjusting the B-field strength and the potential barrier height relative to the Fermi energy.

The effect of magnetic field on chiral transmission in p-n-p graphene junctions

NASA Astrophysics Data System (ADS)

Li, Yuan; Wan, Qi; Peng, Yingzi; Wang, Guanqing; Qian, Zhenghong; Zhou, Guanghui; Jalil, Mansoor B. A.

2015-12-01

We investigate Klein tunneling in graphene heterojunctions under the influence of a perpendicular magnetic field via the non-equilibrium Green’s function method. We find that the angular dependence of electron transmission is deflected sideways, resulting in the suppression of normally incident electrons and overall decrease in conductance. The off-normal symmetry axis of the transmission profile was analytically derived. Overall tunneling conductance decreases to almost zero regardless of the potential barrier height when the magnetic field (B-field) exceeds a critical value, thus achieving effective confinement of Dirac fermions. The critical field occurs when the width of the magnetic field region matches the diameter of the cyclotron orbit. The potential barrier also induces distinct Fabry-Pérot fringe patterns, with a “constriction region” of low transmission when is close to the Fermi energy. Application of B-field deflects the Fabry-Pérot interference pattern to an off-normal angle. Thus, the conductance of the graphene heterojunctions can be sharply modulated by adjusting the B-field strength and the potential barrier height relative to the Fermi energy.

Temperature Dependence Of Current-Voltage Characteristics Of Au/p-GaAsN Schottky Barrier Diodes, With Small N Content

NASA Astrophysics Data System (ADS)

Rangel-Kuoppa, Victor-Tapio; Reentilä, Outi; Sopanen, Markku; Lipsanen, Harri

2011-12-01

The temperature dependent current-voltage (IVT) measurements on Au Schottky barrier diodes made on intrinsically p-type GaAs1-xNx were carried out. Three samples with small N content (x = 0.5%, 0.7% and 1%) were studied. The temperature range was 10-320 K. All contacts were found to be of Schottky type. The ideality factor and the apparent barrier height calculated by using thermionic emission (TE) theory show a strong temperature dependence. The current voltage (IV) curves are fitted based on the TE theory, yielding a zero-bias carrier height (ΦB0) and a ideality factor (n) that decrease and increase with decreasing temperature, respectively. The linear fitting of ΦB0 vs n and its subsequent evaluation for n = 1 give a zero-bias ΦB0 in the order of 0.35-0.4 eV. From the reverse-bias IV study, it is found that the experimental carrier density (NA) values increase with increasing temperature and are in agreement with the intrinsic carrier concentration for GaAs.

The Rotational Spectrum and Conformational Structures of Methyl Valerate

NASA Astrophysics Data System (ADS)

Nguyen, Ha Vinh Lam; Stahl, Wolfgang

2015-06-01

Methyl valerate, C4H9COOCH3, belongs to the class of fruit esters, which play an important role in nature as odorants of different fruits, flowers, and wines. A sufficient explanation for the structure-odor relation of is not available. It is known that predicting the odor of a substance is not possible by knowing only its chemical formula. A typical example is the blueberry- or pine apple-like odor of ethyl isovalerate while its isomers ethyl valerate and isoamyl acetate smell like green apple and banana, respectively. Obviously, not only the composition but also the molecular structures are not negligible by determining the odor of a substance. Gas phase structures of fruit esters are thus important for a first step towards the determination of structure-odor relation since the sense of smell starts from gas phase molecules. For this purpose, a combination of microwave spectroscopy and quantum chemical calculations (QCCs) is an excellent tool. Small esters often have sufficient vapor pressure to be transferred easily in the gas phase for a rotational study but already contain a large number of atoms which makes them too big for classical structure determination by isotopic substitution and requires nowadays a comparison with the structures optimized by QCCs. On the other hand, the results from QCCs have to be validated by the experimental values. About the internal dynamics, the methoxy methyl group -COOCH3 of methyl acetate shows internal rotation with a barrier of 424.581(56) wn. A similar barrier height of 429.324(23) wn was found in methyl propionate, where the acetyl group is extended to the propionyl group. The investigation on methyl valerate fits well in this series of methyl alkynoates. In this talk, the structure of the most energetic favorable conformer as well as the internal rotation shown by the methoxy methyl group will be reported. It could be confirmed that the internal rotation barrier of the methoxy methyl group remains by longer alkyl chain.

Recognition of strong earthquake-prone areas with a single learning class

NASA Astrophysics Data System (ADS)

Gvishiani, A. D.; Agayan, S. M.; Dzeboev, B. A.; Belov, I. O.

2017-05-01

This article presents a new Barrier recognition algorithm with learning, designed for recognition of earthquake-prone areas. In comparison to the Crust (Kora) algorithm, used by the classical EPA approach, the Barrier algorithm proceeds with learning just on one "pure" high-seismic class. The new algorithm operates in the space of absolute values of the geological-geophysical parameters of the objects. The algorithm is used for recognition of earthquake-prone areas with M ≥ 6.0 in the Caucasus region. Comparative analysis of the Crust and Barrier algorithms justifies their productive coherence.

Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory.

PubMed

Meisner, Jan; Markmeyer, Max N; Bohner, Matthias U; Kästner, Johannes

2017-08-30

Atom tunneling in the hydrogen atom transfer reaction of the 2,4,6-tri-tert-butylphenyl radical to 3,5-di-tert-butylneophyl, which has a short but strongly curved reaction path, was investigated using instanton theory. We found the tunneling path to deviate qualitatively from the classical intrinsic reaction coordinate, the steepest-descent path in mass-weighted Cartesian coordinates. To perform that comparison, we implemented a new variant of the predictor-corrector algorithm for the calculation of the intrinsic reaction coordinate. We used the reaction force analysis method as a means to decompose the reaction barrier into structural and electronic components. Due to the narrow energy barrier, atom tunneling is important in the abovementioned reaction, even above room temperature. Our calculated rate constants between 350 K and 100 K agree well with experimental values. We found a H/D kinetic isotope effect of almost 10 6 at 100 K. Tunneling dominates the protium transfer below 400 K and the deuterium transfer below 300 K. We compared the lengths of the tunneling path and the classical path for the hydrogen atom transfer in the reaction HCl + Cl and quantified the corner cutting in this reaction. At low temperature, the tunneling path is about 40% shorter than the classical path.

Identification, Replication, and Fine-Mapping of Loci Associated with Adult Height in Individuals of African Ancestry

PubMed Central

Ge, Bing; Tayo, Bamidele; Mathias, Rasika A.; Ding, Jingzhong; Nalls, Michael A.; Adeyemo, Adebowale; Adoue, Véronique; Ambrosone, Christine B.; Atwood, Larry; Bandera, Elisa V.; Becker, Lewis C.; Berndt, Sonja I.; Bernstein, Leslie; Blot, William J.; Boerwinkle, Eric; Britton, Angela; Casey, Graham; Chanock, Stephen J.; Demerath, Ellen; Deming, Sandra L.; Diver, W. Ryan; Fox, Caroline; Harris, Tamara B.; Hernandez, Dena G.; Hu, Jennifer J.; Ingles, Sue A.; John, Esther M.; Johnson, Craig; Keating, Brendan; Kittles, Rick A.; Kolonel, Laurence N.; Kritchevsky, Stephen B.; Le Marchand, Loic; Lohman, Kurt; Liu, Jiankang; Millikan, Robert C.; Murphy, Adam; Musani, Solomon; Neslund-Dudas, Christine; North, Kari E.; Nyante, Sarah; Ogunniyi, Adesola; Ostrander, Elaine A.; Papanicolaou, George; Patel, Sanjay; Pettaway, Curtis A.; Press, Michael F.; Redline, Susan; Rodriguez-Gil, Jorge L.; Rotimi, Charles; Rybicki, Benjamin A.; Salako, Babatunde; Schreiner, Pamela J.; Signorello, Lisa B.; Singleton, Andrew B.; Stanford, Janet L.; Stram, Alex H.; Stram, Daniel O.; Strom, Sara S.; Suktitipat, Bhoom; Thun, Michael J.; Witte, John S.; Yanek, Lisa R.; Ziegler, Regina G.; Zheng, Wei; Zhu, Xiaofeng; Zmuda, Joseph M.; Zonderman, Alan B.; Evans, Michele K.; Liu, Yongmei; Becker, Diane M.; Cooper, Richard S.; Pastinen, Tomi; Henderson, Brian E.; Hirschhorn, Joel N.; Lettre, Guillaume; Haiman, Christopher A.

2011-01-01

Adult height is a classic polygenic trait of high heritability (h 2 ∼0.8). More than 180 single nucleotide polymorphisms (SNPs), identified mostly in populations of European descent, are associated with height. These variants convey modest effects and explain ∼10% of the variance in height. Discovery efforts in other populations, while limited, have revealed loci for height not previously implicated in individuals of European ancestry. Here, we performed a meta-analysis of genome-wide association (GWA) results for adult height in 20,427 individuals of African ancestry with replication in up to 16,436 African Americans. We found two novel height loci (Xp22-rs12393627, P = 3.4×10−12 and 2p14-rs4315565, P = 1.2×10−8). As a group, height associations discovered in European-ancestry samples replicate in individuals of African ancestry (P = 1.7×10−4 for overall replication). Fine-mapping of the European height loci in African-ancestry individuals showed an enrichment of SNPs that are associated with expression of nearby genes when compared to the index European height SNPs (P<0.01). Our results highlight the utility of genetic studies in non-European populations to understand the etiology of complex human diseases and traits. PMID:21998595

Electrical characteristics of n-GaN Schottky contacts on cleaved surfaces of free-standing substrates: Metal work function dependence of Schottky barrier height

NASA Astrophysics Data System (ADS)

Imadate, Hiroyoshi; Mishima, Tomoyoshi; Shiojima, Kenji

2018-04-01

We report the electrical characteristics of Schottky contacts with nine different metals (Ag, Ti, Cr, W, Mo, Au, Pd, Ni, and Pt) formed on clean m-plane surfaces by cleaving freestanding GaN substrates, compared with these of contacts on Ga-polar c-plane n-GaN surfaces grown on GaN substrates. The n-values from the forward current–voltage (I–V) characteristics are as good as 1.02–1.18 and 1.02–1.09 for the m- and c-plane samples, respectively. We found that the reverse I–V curves of both samples can be explained by the thermionic field emission theory, and that the Schottky barrier height of the cleaved m-plane contacts shows a metal work function dependence.

Observation of quantum oscillation of work function in ultrathin-metal/semiconductor junctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takhar, Kuldeep; Meer, Mudassar; Khachariya, Dolar

2015-09-15

Quantization in energy level due to confinement is generally observed for semiconductors. This property is used for various quantum devices, and it helps to improve the characteristics of conventional devices. Here, the authors have demonstrated the quantum size effects in ultrathin metal (Ni) layers sandwiched between two large band-gap materials. The metal work function is found to oscillate as a function of its thickness. The thermionic emission current bears the signature of the oscillating work function, which has a linear relationship with barrier heights. This methodology allows direct observation of quantum oscillations in metals at room temperature using a Schottkymore » diode and electrical measurements using source-measure-units. The observed phenomena can provide additional mechanism to tune the barrier height of metal/semiconductor junctions, which are used for various electronic devices.« less

A numerical model for explaining the role of the interface morphology in composite solar cells

NASA Astrophysics Data System (ADS)

Martin, C. M.; Burlakov, V. M.; Assender, H. E.; Barkhouse, D. A. R.

2007-11-01

We have developed a numerical model that simulates the operation of organic/inorganic photovoltaic devices. Using this model, we have investigated the effect of the interface morphology and have shown that for a given system, there is both a most efficient device thickness and the interfacial feature size for overall power conversion. The variation of current-voltage (I-V) curves with differing recombination rates, anode barrier height, and light intensity has been simulated with reducing the recombination rate and lowering the anode barrier height shown to lead to improved open circuit voltages and fill factors. Through this model, we show that the increase in fill factor observed when the lithium salt Li[CF3SO2]2N is added to devices can be explained by an increase in the polymer hole mobility.

Perspective analysis of tri gate germanium tunneling field-effect transistor with dopant segregation region at source/drain

NASA Astrophysics Data System (ADS)

Liu, Liang-kui; Shi, Cheng; Zhang, Yi-bo; Sun, Lei

2017-04-01

A tri gate Ge-based tunneling field-effect transistor (TFET) has been numerically studied with technology computer aided design (TCAD) tools. Dopant segregated Schottky source/drain is applied to the device structure design (DS-TFET). The characteristics of the DS-TFET are compared and analyzed comprehensively. It is found that the performance of n-channel tri gate DS-TFET with a positive bias is insensitive to the dopant concentration and barrier height at n-type drain, and that the dopant concentration and barrier height at a p-type source considerably affect the device performance. The domination of electron current in the entire BTBT current of this device accounts for this phenomenon and the tri-gate DS-TFET is proved to have a higher performance than its dual-gate counterpart.

Internal Dynamics of Water Attached to a Photoacidic Substrate: High Resolution Electronic Spectroscopy of β-NAPHTHOL-WATER in the Gas Phase.

NASA Astrophysics Data System (ADS)

Fleisher, Adam J.; Young, Justin W.; Pratt, David W.

2010-06-01

An understanding of the structure and internal dynamics of water attached to the photoacid β-naphthol is attainable through rotationally resolved electronic spectroscopy. Here, we present rotational constants for the 1:1 acid-base cluster in both S0 and S1, which provide the location of water within the cluster, as well as the barrier height to internal rotation of water in each electronic state. The barrier height decreases slightly upon excitation, from 206 wn in S0, to 182 wn in S1. There is also little evidence of a large change in water location, orientation, or overall hydrogen bond length upon irradiation with UV light. Thus, a single water molecule has relatively little affect on the substrate photo-acidity measured in the liquid phase.

Effect of an InxGa1-xAs-GaAs blocking heterocathode metal contact on the GaAs TED operation

NASA Astrophysics Data System (ADS)

Arkusha, Yu. V.; Prokhorov, E. D.; Storozhenko, I. P.

2004-09-01

The frequency dependence of the generation efficiency of an mm- -nn:In:InxGaGa1-1-xAs- As-nn:GaAs-:GaAs-nn++:GaAs TED with the 2.5-mm long active region is calculated. The optimum values - which yield the diode maximum generation efficiency - for the :GaAs TED with the 2.5-mm long active region is calculated. The optimum values - which yield the diode maximum generation efficiency - for the nn:In:InxGaGa1-1-xAs cathode length, the cathode concentration of ionized impurities, and the height of the potential barrier on metal contact are determined.As cathode length, the cathode concentration of ionized impurities, and the height of the potential barrier on metal contact are determined.

Experimental analysis of the Schottky barrier height of metal contacts in black phosphorus field-effect transistors

NASA Astrophysics Data System (ADS)

Chang, Hsun-Ming; Fan, Kai-Lin; Charnas, Adam; Ye, Peide D.; Lin, Yu-Ming; Wu, Chih-I.; Wu, Chao-Hsin

2018-04-01

Compared to graphene and MoS2, studies on metal contacts to black phosphorus (BP) transistors are still immature. In this work, we present the experimental analysis of titanium contacts on BP based upon the theory of thermionic emssion. The Schottky barrier height (SBH) is extracted by thermionic emission methods to analyze the properties of Ti-BP contact. To examine the results, the band gap of BP is extracted followed by theoretical band alignment by Schottky-Mott rule. However, an underestimated SBH is found due to the hysteresis in electrical results. Hence, a modified SBH extraction for contact resistance that avoids the effects of hysteresis is proposed and demonstrated, showing a more accurate SBH that agrees well with theoretical value and results of transmission electron microscopy and energy-dispersive x-ray spectroscopy.

Analysis of electronic parameters and frequency-dependent properties of Au/NiO/ n-GaN heterojunctions

NASA Astrophysics Data System (ADS)

Reddy, Varra Niteesh; Padma, R.; Gunasekhar, K. R.

2018-01-01

The electrical and frequency-dependent properties of ten Au/NiO/ n-GaN heterojunctions fabricated with similar conditions are assessed by I-V, C-V, and G-V measurement methods. In addition, C-f and G-f measurements are conducted in the frequency range of 1 kHz-1 MHz. The electronic parameters are changed from junction to junction even if they are fabricated in the similar way. The calculated barrier height and ideality factor values are fitted by the Gaussian distribution function. Statistical analysis of the data provides the mean barrier height and ideality factor values of 0.84 eV and 2.70 for the heterojunction. Besides, the mean barrier height ( V b), donor concentration ( N d), space charge layer width ( W D), and Fermi level ( E F) are determined from the C-V data and the corresponding values are 1.30 eV, 2.00 × 1017 cm-3, 8.222 × 10-6 cm, and 0.018 eV, respectively. The interface state density ( N SS) and relaxation time (τ) are assessed from C-f and G-f measurements. Moreover, the dielectric constant ( ɛ'), dielectric loss ( ɛ″), tangent loss (tan δ), and electrical conductivity ( σ ac) are determined from C-f and G-f data in the frequency range of 1 kHz-1 MHz with various biases (0.1-0.6 V). ɛ' and ɛ″ are decreased with increasing frequency.

An Updated Equilibrium Machine

NASA Astrophysics Data System (ADS)

Schultz, Emeric

2008-08-01

A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are applied. Equilibrium can be approached from different distributions of balls in the container under different conditions. The Le Châtelier principle can be demonstrated. Kinetic concepts can be demonstrated by changing the nature of the barrier, either changing the height or by having various sized holes in the barrier. Thermodynamic concepts can be demonstrated by taping over some or all of the openings and restricting air flow into container on either side of the barrier.

Effects of ultrathin oxides in conducting MIS structures on GaAs

NASA Technical Reports Server (NTRS)

Childs, R. B.; Ruths, J. M.; Sullivan, T. E.; Fonash, S. J.

1978-01-01

Schottky barrier-type GaAs baseline devices (semiconductor surface etched and then immediately metalized) and GaAs conducting metal oxide-semiconductor devices are fabricated and characterized. The baseline surfaces (no purposeful oxide) are prepared by a basic or an acidic etch, while the surface for the MIS devices are prepared by oxidizing after the etch step. The metallizations used are thin-film Au, Ag, Pd, and Al. It is shown that the introduction of purposeful oxide into these Schottky barrier-type structures examined on n-type GaAs modifies the barrier formation, and that thin interfacial layers can modify barrier formation through trapping and perhaps chemical reactions. For Au- and Pd-devices, enhanced photovoltaic performance of the MIS configuration is due to increased barrier height.

A simple strategy to realize biomimetic surfaces with controlled anisotropic wetting

NASA Astrophysics Data System (ADS)

Wu, Dong; Chen, Qi-Dai; Yao, Jia; Guan, Yong-Chao; Wang, Jian-Nan; Niu, Li-Gang; Fang, Hong-Hua; Sun, Hong-Bo

2010-02-01

The study of anisotropic wetting has become one of the most important research areas in biomimicry. However, realization of controlled anisotropic surfaces remains challenging. Here we investigated anisotropic wetting on grooves with different linewidth, period, and height fabricated by laser interference lithography and found that the anisotropy strongly depended on the height. The anisotropy significantly increased from 9° to 48° when the height was changed from 100 nm to 1.3 μm. This was interpreted by a thermodynamic model as a consequence of the increase of free energy barriers versus the height increase. According to the relationship, controlled anisotropic surfaces were rapidly realized by adjusting the grooves' height that was simply accomplished by changing the resin thickness. Finally, the perpendicular contact angle was further enhanced to 131°±2° by surface modification, which was very close to 135°±3° of a common grass leaf.

Influence of interface inhomogeneities in thin-film Schottky diodes

NASA Astrophysics Data System (ADS)

Wilson, Joshua; Zhang, Jiawei; Li, Yunpeng; Wang, Yiming; Xin, Qian; Song, Aimin

2017-11-01

The scalability of thin-film transistors has been well documented, but there have been very few investigations into the effects of device scalability in Schottky diodes. Indium-gallium-zinc-oxide (IGZO) Schottky diodes were fabricated with IGZO thicknesses of 50, 150, and 250 nm. Despite the same IGZO-Pt interface and Schottky barrier being formed in all devices, reducing the IGZO thickness caused a dramatic deterioration of the current-voltage characteristics, most notably increasing the reverse current by nearly five orders of magnitude. Furthermore, the forward characteristics display an increase in the ideality factor and a reduction in the barrier height. The origins of this phenomenon have been elucidated using device simulations. First, when the semiconductor layer is fully depleted, the electric field increases with the reducing thickness, leading to an increased diffusion current. However, the effects of diffusion only offer a small contribution to the huge variations in reverse current seen in the experiments. To fully explain this effect, the role of inhomogeneities in the Schottky barrier height has been considered. Contributions from lower barrier regions (LBRs) are found to dominate the reverse current. The conduction band minimum below these LBRs is strongly dependent upon thickness and bias, leading to reverse current variations as large as several orders of magnitude. Finally, it is demonstrated that the thickness dependence of the reverse current is exacerbated as the magnitude of the inhomogeneities is increased and alleviated in the limit where the LBRs are large enough not to be influenced by the adjacent higher barrier regions.

Current transient spectroscopy for trapping analysis on Au-free AlGaN/GaN Schottky barrier diode

NASA Astrophysics Data System (ADS)

Hu, J.; Stoffels, S.; Lenci, S.; Bakeroot, B.; Venegas, R.; Groeseneken, G.; Decoutere, S.

2015-02-01

This paper presents a combined technique of high voltage off-state stress and current transient measurements to investigate the trapping/de-trapping characteristics of Au-free AlGaN/GaN Schottky barrier diodes. The device features a symmetric three-terminal structure with a central anode contact surrounded by two separate cathodes. Under the diode off-state stress conditions, the two separate cathodes were electrically shorted. The de-trapping dynamics was studied by monitoring the recovery of the two-dimensional electron gas (2DEG) current at different temperatures by applying 0.5 V at cathode 2 while grounding cathode 1. During the recovery, the anode contact acts as a sensor of changes in diode leakage current. This leakage variation was found to be mainly due to the barrier height variation. With this method, the energy level and capture cross section of different traps in the AlGaN/GaN Schottky barrier diode can be extracted. Furthermore, the physical location of different trapping phenomena is indicated by studying the variation of the diode leakage current during the recovery. We have identified two distinct trapping mechanisms: (i) electron trapping at the AlGaN surface in the vicinity of the Schottky contact which results in the leakage reduction (barrier height ϕB increase) together with RON degradation; (ii) the electron trapping in the GaN channel layer which partially depletes the 2DEG. The physical origin of the two different traps is discussed in the text.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Möller, Peter; Sierk, Arnold J.; Ichikawa, Takatoshi

We present calculated fission-barrier heights for 5239 nuclides for all nuclei between the proton and neutron drip lines with 171 ≤ A ≤ 330. The barriers are calculated in the macroscopic-microscopic finite-range liquid-drop (FRLDM) with a 2002 set of macroscopic-model parameters. The saddle-point energies are determined from potential-energy surfaces based on more than five million different shapes, defined by five deformation parameters in the three-quadratic-surface shape parametrization: elongation, neck diameter, left-fragment spheroidal deformation, right-fragment spheroidal deformation, and nascent-fragment mass asymmetry. The energy of the ground state is determined by calculating the lowest-energy configuration in both the Nilsson perturbed-spheroid (ϵ) andmore » the spherical-harmonic (β) parametrizations, including axially asymmetric deformations. The lower of the two results (correcting for zero-point motion) is defined as the ground-state energy. The effect of axial asymmetry on the inner barrier peak is calculated in the (ϵ,γ) parametrization. We have earlier benchmarked our calculated barrier heights to experimentally extracted barrier parameters and found average agreement to about one MeV for known data across the nuclear chart. Here we do additional benchmarks and investigate the qualitative and, when possible, quantitative agreement and/or consistency with data on β-delayed fission, isotope generation along prompt-neutron-capture chains in nuclear-weapons tests, and superheavy-element stability. In addition these studies all indicate that the model is realistic at considerable distances in Z and N from the region of nuclei where its parameters were determined.« less

Sensitivity of the nuclear deformability and fission barriers to the equation of state

NASA Astrophysics Data System (ADS)

Seif, W. M.; Anwer, Hisham

2018-07-01

The model-dependent analysis of the fission data impacts the extracted fission-related quantities, which are not directly observables, such as the super- and hyperdeformed isomeric states and their energies. We investigated the model dependence of the deformability of a nucleus and its fission barriers on the nuclear equation of state. Within the microscopic-macroscopic model based on a large number of Skyrme nucleon-nucleon interactions, the total energy surfaces and the double-humped fission barrier of 230Th are calculated in a multidimensional deformation space. In addition to the ground-state (GS) and the superdeformed (SD) minima, all the investigated forces yielded a hyperdeformed (HD) minimum. The contour map of the shell-plus-pairing energy clearly displayed the three minima. We found that the GS binding energy and the deformation energy of the different deformation modes along the fission path increase with the incompressibility coefficient K0, while the fission barrier heights and the excitation energies of the SD and HD modes decrease with it. Conversely, the surface-energy coefficient asurf, the symmetry-energy, and its density-slope parameter decrease the GS energy and the deformation energies, but increase the fission barrier heights and the excitation energies. The obtained deformation parameters of the different deformation modes exhibit almost independence on K0, and on the symmetry-energy and its density-slope. The principle deformation parameters of the SD and HD isomeric states tend to decrease with asurf.

Delay time and Hartman effect in strain engineered graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Xi, E-mail: xchen@shu.edu.cn; Deng, Zhi-Yong; Ban, Yue, E-mail: yban@shu.edu.cn

2014-05-07

Tunneling times, including group delay and dwell time, are studied for massless Dirac electrons transmitting through a one-dimensional barrier in strain-engineered graphene. The Hartman effect, the independence of group delay on barrier length, is induced by the strain effect, and associated with the transmission gap and the evanescent mode. The influence of barrier height/length and strain modulus/direction on the group delay is also discussed, which provides the flexibility to control the group delay with applications in graphene-based devices. The relationship between group delay and dwell time is finally derived to clarify the nature of the Hartman effect.

How tall can gelatin towers be? An introduction to elasticity and buckling

NASA Astrophysics Data System (ADS)

Taberlet, Nicolas; Ferrand, Jérémy; Camus, Élise; Lachaud, Léa; Plihon, Nicolas

2017-12-01

The stability of elastic towers is studied through simple hands-on experiments. Using gelatin-based stackable bricks, one can investigate the maximum height a simple structure can reach before collapsing. We show through experiments and by using the classical linear elastic theory that the main limitation to the height of such towers is the buckling of the elastic structures under their own weight. Moreover, the design and architecture of the towers can be optimized to greatly improve their resistance to self-buckling. To this aim, the maximum height of hollow and tapered towers is investigated. The experimental and theoretical developments presented in this paper can help students grasp the fundamental concepts in elasticity and mechanical stability.

Development and fabrication of improved Schottky power diodes, phases I and II

NASA Technical Reports Server (NTRS)

Cordes, L. F.; Garfinkle, M.; Taft, E. A.

1974-01-01

Reproducible methods for the fabrication of silicon Schottky diodes were developed for the metals tungsten, aluminum, conventional platinum silicide and low temperature platinum silicide. Barrier heights and barrier lowering were measured permitting the accurate prediction of ideal forward and reverse diode performance. Processing procedures were developed which permit the fabrication of large area (approximately 1 sqcm) mesa-geometry power Schottky diodes with forward and reverse characteristics that approach theoretical values.

Micro heat barrier

DOEpatents

Marshall, Albert C.; Kravitz, Stanley H.; Tigges, Chris P.; Vawter, Gregory A.

2003-08-12

A highly effective, micron-scale micro heat barrier structure and process for manufacturing a micro heat barrier based on semiconductor and/or MEMS fabrication techniques. The micro heat barrier has an array of non-metallic, freestanding microsupports with a height less than 100 microns, attached to a substrate. An infrared reflective membrane (e.g., 1 micron gold) can be supported by the array of microsupports to provide radiation shielding. The micro heat barrier can be evacuated to eliminate gas phase heat conduction and convection. Semi-isotropic, reactive ion plasma etching can be used to create a microspike having a cusp-like shape with a sharp, pointed tip (<0.1 micron), to minimize the tip's contact area. A heat source can be placed directly on the microspikes. The micro heat barrier can have an apparent thermal conductivity in the range of 10.sup.-6 to 10.sup.-7 W/m-K. Multiple layers of reflective membranes can be used to increase thermal resistance.

Semantic 3d City Model to Raster Generalisation for Water Run-Off Modelling

NASA Astrophysics Data System (ADS)

Verbree, E.; de Vries, M.; Gorte, B.; Oude Elberink, S.; Karimlou, G.

2013-09-01

Water run-off modelling applied within urban areas requires an appropriate detailed surface model represented by a raster height grid. Accurate simulations at this scale level have to take into account small but important water barriers and flow channels given by the large-scale map definitions of buildings, street infrastructure, and other terrain objects. Thus, these 3D features have to be rasterised such that each cell represents the height of the object class as good as possible given the cell size limitations. Small grid cells will result in realistic run-off modelling but with unacceptable computation times; larger grid cells with averaged height values will result in less realistic run-off modelling but fast computation times. This paper introduces a height grid generalisation approach in which the surface characteristics that most influence the water run-off flow are preserved. The first step is to create a detailed surface model (1:1.000), combining high-density laser data with a detailed topographic base map. The topographic map objects are triangulated to a set of TIN-objects by taking into account the semantics of the different map object classes. These TIN objects are then rasterised to two grids with a 0.5m cell-spacing: one grid for the object class labels and the other for the TIN-interpolated height values. The next step is to generalise both raster grids to a lower resolution using a procedure that considers the class label of each cell and that of its neighbours. The results of this approach are tested and validated by water run-off model runs for different cellspaced height grids at a pilot area in Amersfoort (the Netherlands). Two national datasets were used in this study: the large scale Topographic Base map (BGT, map scale 1:1.000), and the National height model of the Netherlands AHN2 (10 points per square meter on average). Comparison between the original AHN2 height grid and the semantically enriched and then generalised height grids shows that water barriers are better preserved with the new method. This research confirms the idea that topographical information, mainly the boundary locations and object classes, can enrich the height grid for this hydrological application.

Quantum Chemical Evaluation of the Astrochemical Significance of Reactions between S Atom and Acetylene or Ethylene

NASA Technical Reports Server (NTRS)

Woon, David E.

2007-01-01

Addition-elimination reactions of S atom in its P-3 ground state with acetylene (C2H2) and ethylene (C2H4) were characterized with both molecular orbital and density functional theory calculations employing correlation consistent basis sets in order to assess the likelihood either reaction might play a general role in astrochemistry or a specific role in the formation of S2 (X (sup 3 SIGMA (sub g) (sup -)) via a mechanism proposed by Saxena and Misra (Mon. Not. R. Astron. Soc. 1995, 272, 89). The acetylene and ethylene reactions proceed through C2H2S ((sup 3)A")) and C2H4S ((sup 3)A")) intermediates, respectively, to yield HCCS ((sup 2)II)) and C2H3S ((sup 2)A')). Substantial barriers were found in the exit channels for every combination of method and basis set considered in this work, which effectively precludes hydrogen elimination pathways for both S + C2H2 and S + C2H4 in the ultracold interstellar medium where only very modest barriers can be surmounted and processes without barriers tend to predominate. However, if one or both intermediates is formed and stabilized efficiently under cometary or dense interstellar cloud conditions, they could serve as temporary reservoirs for S atom and participate in reactions such as S + C2H2S (right arrow) S2 = C2H2 or S + C2H4S (right arrow) S2 + C2H4. For formation and stabilization to be efficient, the reaction must possess a barrier height small enough to be surmountable at low temperatures yet large enough to prevent redissociation to reactants. Barrier heights computed with B3LYP and large basis sets are very low, but more rigorous QCISD(T) and RCCSD(T) results indicate that the barrier heights are closer to 3-4 kcal/mol. The calculations therefore indicate that S + C2H2 or S + C2H4 could contribute to the formation of S2 in comets and may serve as a means to gauge coma temperature. The energetics of the ethylene reaction are more favorable.

[Effects of mulberry/soybean intercropping on the plant growth and rhizosphere soil microbial number and enzyme activities].

PubMed

Hu, Ju-Wei; Zhu, Wen-Xu; Zhang, Hui-Hui; Xu, Nan; Li, Xin; Yue, Bing-Bing; Sun, Guang-yu

2013-05-01

A root separation experiment was conducted to investigate the plant growth and rhizosphere soil microbes and enzyme activities in a mulberry/soybean intercropping system. As compared with those in plastic barrier and nylon mesh barrier treatments, the plant height, leaf number, root length, root nodule number, and root/shoot ratio of mulberry and soybean in non-barrier treatment were significantly higher, and the soybean's effective nodule number was larger. The available phosphorous content in the rhizosphere soils of mulberry and soybean in no barrier and nylon mesh barrier treatments was increased by 10.3% and 11.1%, and 5.1% and 4.6%, respectively, as compared with that in plastic barrier treatment. The microbial number, microbial diversity, and enzyme activities in the rhizosphere soils of mulberry and soybean were higher in the treatments of no barrier and nylon mesh barrier than in the treatment of plastic barrier. All the results indicated that there was an obvious interspecific synergistic effect between mulberry and soybean in the mulberry/soybean intercropping system.

Doping enhanced barrier lowering in graphene-silicon junctions

NASA Astrophysics Data System (ADS)

Zhang, Xintong; Zhang, Lining; Chan, Mansun

2016-06-01

Rectifying properties of graphene-semiconductor junctions depend on the Schottky barrier height. We report an enhanced barrier lowering in graphene-Si junction and its essential doping dependence in this paper. The electric field due to ionized charge in n-type Si induces the same type doping in graphene and contributes another Schottky barrier lowering factor on top of the image-force-induced lowering (IFIL). We confirm this graphene-doping-induced lowering (GDIL) based on well reproductions of the measured reverse current of our fabricated graphene-Si junctions by the thermionic emission theory. Excellent matching between the theoretical predictions and the junction data of the doping-concentration dependent barrier lowering serves as another evidence of the GDIL. While both GDIL and IFIL are enhanced with the Si doping, GDIL exceeds IFIL with a threshold doping depending on the as-prepared graphene itself.

Quantum mechanical streamlines. I - Square potential barrier

NASA Technical Reports Server (NTRS)

Hirschfelder, J. O.; Christoph, A. C.; Palke, W. E.

1974-01-01

Exact numerical calculations are made for scattering of quantum mechanical particles hitting a square two-dimensional potential barrier (an exact analog of the Goos-Haenchen optical experiments). Quantum mechanical streamlines are plotted and found to be smooth and continuous, to have continuous first derivatives even through the classical forbidden region, and to form quantized vortices around each of the nodal points. A comparison is made between the present numerical calculations and the stationary wave approximation, and good agreement is found between both the Goos-Haenchen shifts and the reflection coefficients. The time-independent Schroedinger equation for real wavefunctions is reduced to solving a nonlinear first-order partial differential equation, leading to a generalization of the Prager-Hirschfelder perturbation scheme. Implications of the hydrodynamical formulation of quantum mechanics are discussed, and cases are cited where quantum and classical mechanical motions are identical.

Theoretical prediction of crystallization kinetics of a supercooled Lennard-Jones fluid

NASA Astrophysics Data System (ADS)

Gunawardana, K. G. S. H.; Song, Xueyu

2018-05-01

The first order curvature correction to the crystal-liquid interfacial free energy is calculated using a theoretical model based on the interfacial excess thermodynamic properties. The correction parameter (δ), which is analogous to the Tolman length at a liquid-vapor interface, is found to be 0.48 ± 0.05 for a Lennard-Jones (LJ) fluid. We show that this curvature correction is crucial in predicting the nucleation barrier when the size of the crystal nucleus is small. The thermodynamic driving force (Δμ) corresponding to available simulated nucleation conditions is also calculated by combining the simulated data with a classical density functional theory. In this paper, we show that the classical nucleation theory is capable of predicting the nucleation barrier with excellent agreement to the simulated results when the curvature correction to the interfacial free energy is accounted for.

Study of Fission Barrier Heights of Uranium Isotopes by the Macroscopic-Microscopic Method

NASA Astrophysics Data System (ADS)

Zhong, Chun-Lai; Fan, Tie-Shuan

2014-09-01

Potential energy surfaces of uranium nuclei in the range of mass numbers 229 through 244 are investigated in the framework of the macroscopic-microscopic model and the heights of static fission barriers are obtained in terms of a double-humped structure. The macroscopic part of the nuclear energy is calculated according to Lublin—Strasbourg-drop (LSD) model. Shell and pairing corrections as the microscopic part are calculated with a folded-Yukawa single-particle potential. The calculation is carried out in a five-dimensional parameter space of the generalized Lawrence shapes. In order to extract saddle points on the potential energy surface, a new algorithm which can effectively find an optimal fission path leading from the ground state to the scission point is developed. The comparison of our results with available experimental data and others' theoretical results confirms the reliability of our calculations.

Effect of non-parabolicity and confinement potential on exciton binding energy in a quantum well

NASA Astrophysics Data System (ADS)

Vignesh, G.; Nithiananthi, P.

2018-04-01

The effect of non-parabolicity(NP) (both conduction and valance band) on the binding energy(EB) of a ground state exciton in GaAs/AlxGa1-xAs single Quantum Well(QW) has been calculated using variational method. Confinement of a light hole(LH-CB1-X) and heavy hole(HH-CB1-X) exciton have been numerically evaluated as a function of well width and barrier heights by imposing three different confinement potentials such as square(SQW), parabolic(PQW) and triangular(TQW). Due to NP effects, EB of exciton is increasedin the narrow well region irrespective of the type of exciton, barrier height and nature of the confinement potentials applied. Non-parabolicity effect is prominent in abrupt(SQW) and linearlyvarying(TQW) confinement potentials. All these effects are attributed to be an inter-play between the Coulombic interaction and NP effects among the subband structures.

Computational study of the reactions of methanol with the hydroperoxyl and methyl radicals. 1. Accurate thermochemistry and barrier heights.

PubMed

Alecu, I M; Truhlar, Donald G

2011-04-07

The reactions of CH(3)OH with the HO(2) and CH(3) radicals are important in the combustion of methanol and are prototypes for reactions of heavier alcohols in biofuels. The reaction energies and barrier heights for these reaction systems are computed with CCSD(T) theory extrapolated to the complete basis set limit using correlation-consistent basis sets, both augmented and unaugmented, and further refined by including a fully coupled treatment of the connected triple excitations, a second-order perturbative treatment of quadruple excitations (by CCSDT(2)(Q)), core-valence corrections, and scalar relativistic effects. It is shown that the M08-HX and M08-SO hybrid meta-GGA density functionals can achieve sub-kcal mol(-1) agreement with the high-level ab initio results, identifying these functionals as important potential candidates for direct dynamics studies on the rates of these and homologous reaction systems.

Ferroelectric-Domain-Patterning-Controlled Schottky Junction State in Monolayer MoS 2

DOE PAGES

Xiao, Zhiyong; Song, Jingfeng; Ferry, David K.; ...

2017-06-08

Here, we exploit scanning probe controlled domain patterning in a ferroelectric top-layer to induce nonvolatile modulation of the conduction characteristic of monolayer MoS 2 between a transistor and a junction state. In the presence of a domain wall, MoS 2 exhibits rectified I-V that is well described by the thermionic emission model. The induced Schottky barrier height Φ eff Β varies from 0.38 eV to 0.57 eV and is tunabe by a SiO 2 global back-gate, while the tuning range of Φ eff Β the barrier height depends sensitively on the conduction band tail trapping states. Our work points tomore » a new route to achieve programmable functionalities in van der Waals materials and sheds light on the critical performance limiting factors in these hybrid systems.« less

Cumulative dose 60Co gamma irradiation effects on AlGaN/GaN Schottky diodes and its area dependence

NASA Astrophysics Data System (ADS)

Sharma, Chandan; Laishram, Robert; Rawal, Dipendra Singh; Vinayak, Seema; Singh, Rajendra

2018-04-01

Cumulative dose gamma radiation effects on current-voltage characteristics of GaN Schottky diodes have been investigated. The different area diodes have been fabricated on AlGaN/GaN high electron mobility transistor (HEMT) epi-layer structure grown over SiC substrate and irradiated with a dose up to the order of 104 Gray (Gy). Post irradiation characterization shows a shift in the turn-on voltage and improvement in reverse leakage current. Other calculated parameters include Schottky barrier height, ideality factor and reverse saturation current. Schottky barrier height has been decreased whereas reverse saturation current shows an increase in the value post irradiation with improvement in the ideality factor. Transfer length measurement (TLM) characterization shows an improvement in the contact resistance. Finally, diodes with larger area have more variation in the calculated parameters due to the induced local heating effect.

Ferroelectric-Domain-Patterning-Controlled Schottky Junction State in Monolayer MoS 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiao, Zhiyong; Song, Jingfeng; Ferry, David K.

Here, we exploit scanning probe controlled domain patterning in a ferroelectric top-layer to induce nonvolatile modulation of the conduction characteristic of monolayer MoS 2 between a transistor and a junction state. In the presence of a domain wall, MoS 2 exhibits rectified I-V that is well described by the thermionic emission model. The induced Schottky barrier height Φ eff Β varies from 0.38 eV to 0.57 eV and is tunabe by a SiO 2 global back-gate, while the tuning range of Φ eff Β the barrier height depends sensitively on the conduction band tail trapping states. Our work points tomore » a new route to achieve programmable functionalities in van der Waals materials and sheds light on the critical performance limiting factors in these hybrid systems.« less

ZnO quantum dot-doped graphene/h-BN/GaN-heterostructure ultraviolet photodetector with extremely high responsivity

NASA Astrophysics Data System (ADS)

Lu, Yanghua; Wu, Zhiqian; Xu, Wenli; Lin, Shisheng

2016-12-01

A ZnO quantum dot photo-doped graphene/h-BN/GaN-heterostructure ultraviolet photodetector with extremely high responsivity of more than 1915 A W-1 and detectivity of more than 1.02 × 1013 Jones (Jones = cm Hz1/2 W-1) has been demonstrated. The interfaced h-BN layer increases the barrier height at the graphene/GaN heterojunction, which decreases the dark current and improves the on/off current ratio of the device. The photo-doping effect increases the barrier height and carrier concentration at the graphene/h-BN/GaN heterojunction, thus the responsivity is improved from 1473 A W-1 to 1915 A W-1 and the detectivity is improved from 5.8 × 1012 to 1.0 × 1013 Jones. Moreover, all of the responsivity and detectivity values are the highest values among all the graphene-based ultraviolet photodetectors.

Fabrication and characterization of tunnel barriers in a multi-walled carbon nanotube formed by argon atom beam irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tomizawa, H.; Department of Applied Physics, Tokyo University of Science, 6-3-1 Niijuku, Katsushika-ku, Tokyo 125-8585; Yamaguchi, T., E-mail: tyamag@riken.jp

We have evaluated tunnel barriers formed in multi-walled carbon nanotubes (MWNTs) by an Ar atom beam irradiation method and applied the technique to fabricate coupled double quantum dots. The two-terminal resistance of the individual MWNTs was increased owing to local damage caused by the Ar beam irradiation. The temperature dependence of the current through a single barrier suggested two different contributions to its Arrhenius plot, i.e., formed by direct tunneling through the barrier and by thermal activation over the barrier. The height of the formed barriers was estimated. The fabrication technique was used to produce coupled double quantum dots withmore » serially formed triple barriers on a MWNT. The current measured at 1.5 K as a function of two side-gate voltages resulted in a honeycomb-like charge stability diagram, which confirmed the formation of the double dots. The characteristic parameters of the double quantum dots were calculated, and the feasibility of the technique is discussed.« less

Scale-dependent behavior of the foredune: Implications for barrier island response to storms and sea-level rise

NASA Astrophysics Data System (ADS)

Houser, Chris; Wernette, Phil; Weymer, Bradley A.

2018-02-01

The impact of storm surge on a barrier island tends to be considered from a single cross-shore dimension, dependent on the relative elevations of the storm surge and dune crest. However, the foredune is rarely uniform and can exhibit considerable variation in height and width at a range of length scales. In this study, LiDAR data from barrier islands in Texas and Florida are used to explore how shoreline position and dune morphology vary alongshore, and to determine how this variability is altered or reinforced by storms and post-storm recovery. Wavelet analysis reveals that a power law can approximate historical shoreline change across all scales, but that storm-scale shoreline change ( 10 years) and dune height exhibit similar scale-dependent variations at swash and surf zone scales (< 1000 m). The in-phase nature of the relationship between dune height and storm-scale shoreline change indicates that areas of greater storm-scale shoreline retreat are associated with areas of smaller dunes. It is argued that the decoupling of storm-scale and historical shoreline change at swash and surf zone scales is also associated with the alongshore redistribution of sediment and the tendency of shorelines to evolve to a more diffusive (or straight) pattern with time. The wavelet analysis of the data for post-storm dune recovery is also characterized by red noise at the smallest scales characteristic of diffusive systems, suggesting that it is possible that small-scale variations in dune height can be repaired through alongshore recovery and expansion if there is sufficient time between storms. However, the time required for dune recovery exceeds the time between storms capable of eroding and overwashing the dune. Correlation between historical shoreline retreat and the variance of the dune at swash and surf zone scales suggests that the persistence of the dune is an important control on transgression through island migration or shoreline retreat with relative sea-level rise.

Phase-Space Approach to the Tunnel Effect: A New Semiclassical Traversal Time

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xavier, A.L. Jr.; de Aguiar, M.A.

1997-11-01

We determine the semiclassical coherent-state propagator for a particle going through one-dimensional evolution in a simple barrier potential. The described semiclassical method makes use of complex trajectories which, by its turn, enables the definition of (real) traversal times in the complexified phase space. We then discuss the behavior of this time for a wave packet whose average energy is below the barrier height. {copyright} {ital 1997} {ital The American Physical Society}

Droplets on liquid surfaces: Dual equilibrium states and their energy barrier

NASA Astrophysics Data System (ADS)

Shabani, Roxana; Kumar, Ranganathan; Cho, Hyoung J.

2013-05-01

Floating aqueous droplets were formed at oil-air interface, and two stable configurations of (i) non-coalescent droplet and (ii) cap/bead droplet were observed. General solutions for energy and force analysis were obtained for both configurations and were shown to be in good agreement with the experimental observations. The energy barrier obtained for transition from configuration (i) to configuration (ii) was correlated to the droplet release height and the probability of non-coalescent droplet formation.

Control of GaAs Microwave Schottky Diode Electrical Characteristics by Contact Geometry: The Gap Diode.

DTIC Science & Technology

1982-05-01

semiconductor Schottky-barrier contacts are used in many semiconductor devices, including switches, rectifiers, varactors , IMPATTs, mixer and detector...ionic materials such as most of the II-VI compound semiconductors (e.g. ZnS and ZnO) and the transition-metal oxides , the barrier height is strongly...the alloying process described above is nonuniformity, due to the incomplete removal of residual surface oxides prior to the evaporation of the metal

Origin of hydrogen-inclusion-induced critical current deviation in Nb/AlOx/Al/Nb Josephson junctions

NASA Astrophysics Data System (ADS)

Hinode, Kenji; Satoh, Tetsuro; Nagasawa, Shuichi; Hidaka, Mutsuo

2010-04-01

We investigated the mechanisms that change the critical current density (Jc) of Nb/AlOx/Al/Nb Josephson junctions due to the inclusion of hydrogen in the Nb electrodes. Our investigations were performed according to three aspects: the superconductivity change, the change in thickness of the barrier layer, and the change in the barrier height due to the electronic effect. The results are as follows: (a) the hydrogen-inclusion-accompanied changes in the superconductivity parameters, such as the junction gap voltage, were much less than those of the critical current density, (b) the effect of hydrogen inclusion on Jc varied depending on the electrodes, i.e., the upper electrode above the barrier layer was the most affected, (c) the junctions with increased Ics due to hydrogen exclusion showed the identical amount of decrease in the junction resistance measured at room temperature, and (d) the hydrogen exclusion from the junction electrodes had no influence on the Nb/Al/AlOx/Al/Nb junctions, which had an extra Al layer. Based on these results we conclude that the Jc change is mainly caused by the change in junction resistance. A one order of magnitude smaller effect is caused by the superconductivity change. We believe the Jc change is caused by a Nb work function increase due to the hydrogen inclusion, resulting in an increase in barrier height.

Influence of Asymmetric Contact Form on Contact Resistance and Schottky Barrier, and Corresponding Applications of Diode.

PubMed

Zhao, Yudan; Xiao, Xiaoyang; Huo, Yujia; Wang, Yingcheng; Zhang, Tianfu; Jiang, Kaili; Wang, Jiaping; Fan, Shoushan; Li, Qunqing

2017-06-07

We have fabricated carbon nanotube and MoS 2 field-effect transistors with asymmetric contact forms of source-drain electrodes, from which we found the current directionality of the devices and different contact resistances under the two current directions. By designing various structures, we can conclude that the asymmetric electrical performance was caused by the difference in the effective Schottky barrier height (Φ SB ) caused by the different contact forms. A detailed temperature-dependent study was used to extract and compare the Φ SB for both contact forms of CNT and MoS 2 devices; we found that the Φ SB for the metal-on-semiconductor form was much lower than that of the semiconductor-on-metal form and is suitable for all p-type, n-type, or ambipolar semiconductors. This conclusion is meaningful with respect to the design and application of nanomaterial electronic devices. Additionally, using the difference in barrier height caused by the contact forms, we have also proposed and fabricated Schottky barrier diodes with a current ratio up to 10 4 ; rectifying circuits consisting of these diodes were able to work in a wide frequency range. This design avoided the use of complex chemical doping or heterojunction methods to achieve fundamental diodes that are relatively simple and use only a single material; these may be suitable for future application in nanoelectronic radio frequency or integrated circuits.

Temperature dependent electrical characterisation of Pt/HfO{sub 2}/n-GaN metal-insulator-semiconductor (MIS) Schottky diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shetty, Arjun, E-mail: arjun@ece.iisc.ernet.in; Vinoy, K. J.; Roul, Basanta

2015-09-15

This paper reports an improvement in Pt/n-GaN metal-semiconductor (MS) Schottky diode characteristics by the introduction of a layer of HfO{sub 2} (5 nm) between the metal and semiconductor interface. The resulting Pt/HfO{sub 2}/n-GaN metal-insulator-semiconductor (MIS) Schottky diode showed an increase in rectification ratio from 35.9 to 98.9(@ 2V), increase in barrier height (0.52 eV to 0.63eV) and a reduction in ideality factor (2.1 to 1.3) as compared to the MS Schottky. Epitaxial n-type GaN films of thickness 300nm were grown using plasma assisted molecular beam epitaxy (PAMBE). The crystalline and optical qualities of the films were confirmed using high resolutionmore » X-ray diffraction and photoluminescence measurements. Metal-semiconductor (Pt/n-GaN) and metal-insulator-semiconductor (Pt/HfO{sub 2}/n-GaN) Schottky diodes were fabricated. To gain further understanding of the Pt/HfO{sub 2}/GaN interface, I-V characterisation was carried out on the MIS Schottky diode over a temperature range of 150 K to 370 K. The barrier height was found to increase (0.3 eV to 0.79 eV) and the ideality factor decreased (3.6 to 1.2) with increase in temperature from 150 K to 370 K. This temperature dependence was attributed to the inhomogeneous nature of the contact and the explanation was validated by fitting the experimental data into a Gaussian distribution of barrier heights.« less

Growth and interface properties of Au Schottky contact on ZnO grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Asghar, M.; Mahmood, K.; Malik, Faisal; Hasan, M. A.

2013-06-01

In this paper, we have discussed the growth of ZnO by molecular beam epitaxy (MBE) and interface properties of Au Schottky contacts on grown sample. After the verification of structure and surface properties by X-Ray Diffraction (XRD) and Scanning Electron Microscope (SEM), respectively, Au metal contact was fabricated by e-beam evaporation to study contact properties. The high value of ideality factor (2.15) and barrier height (0.61 eV) at room temperature obtained by current-voltage (I-V) characteristics suggested the presence of interface states between metal and semiconductor. To confirm this observation we carried out frequency dependent capacitance-voltage (C-V) and conductance-voltage (G-V) demonstrated that the capacitance of diode decreased with increasing frequency. The reason of this behavior is related with density of interface states, series resistance and image force lowering. The C-2-V plot drawn to calculate the carrier concentration and barrier height with values 1.4×1016 cm-3 and 0.92 eV respectively. Again, high value of barrier height obtained from C-V as compared to the value obtained from I-V measurements revealed the presence of interface states. The density of these interface states (Dit) was calculated by well known Hill-Coleman method. The calculated value of Dit at 1 MHz frequency was 2×1012 eV-1 cm-2. The plot between interface states and frequency was also drawn which demonstrated that density of interface states had inverse proportion with measuring frequency.

Association of human height-related genetic variants with familial short stature in Han Chinese in Taiwan.

PubMed

Lin, Ying-Ju; Liao, Wen-Ling; Wang, Chung-Hsing; Tsai, Li-Ping; Tang, Chih-Hsin; Chen, Chien-Hsiun; Wu, Jer-Yuarn; Liang, Wen-Miin; Hsieh, Ai-Ru; Cheng, Chi-Fung; Chen, Jin-Hua; Chien, Wen-Kuei; Lin, Ting-Hsu; Wu, Chia-Ming; Liao, Chiu-Chu; Huang, Shao-Mei; Tsai, Fuu-Jen

2017-07-25

Human height can be described as a classical and inherited trait model. Genome-wide association studies (GWAS) have revealed susceptible loci and provided insights into the polygenic nature of human height. Familial short stature (FSS) represents a suitable trait for investigating short stature genetics because disease associations with short stature have been ruled out in this case. In addition, FSS is caused only by genetically inherited factors. In this study, we explored the correlations of FSS risk with the genetic loci associated with human height in previous GWAS, alone and cumulatively. We systematically evaluated 34 known human height single nucleotide polymorphisms (SNPs) in relation to FSS in the additive model (p < 0.00005). A cumulative effect was observed: the odds ratios gradually increased with increasing genetic risk score quartiles (p < 0.001; Cochran-Armitage trend test). Six affected genes-ZBTB38, ZNF638, LCORL, CABLES1, CDK10, and TSEN15-are located in the nucleus and have been implicated in embryonic, organismal, and tissue development. In conclusion, our study suggests that 13 human height GWAS-identified SNPs are associated with FSS risk both alone and cumulatively.

Exploring the energy landscape of resistive switching in antiferromagnetic S r3I r2O7

NASA Astrophysics Data System (ADS)

Williamson, Morgan; Shen, Shida; Cao, Gang; Zhou, Jianshi; Goodenough, John B.; Tsoi, Maxim

2018-04-01

We study the resistive switching triggered by an applied electrical bias in the antiferromagnetic Mott insulator S r3I r2O7 . The switching was previously associated with an electric-field-driven structural transition. Here we use time-resolved measurements to probe the thermal activation behavior of the switching process and acquire information about the energy barrier associated with the transition. We quantify the changes in the energy-barrier height with respect to the applied bias and find a linear decrease of the barrier with increasing bias. Our observations support the potential of antiferromagnetic transition-metal oxides for spintronic applications.

Conformational relaxation dynamics in the excited electronic states of benzil in solution

NASA Astrophysics Data System (ADS)

Singh, Ajay K.; Palit, Dipak K.; Mittal, Jai P.

2002-07-01

Relaxation dynamics in the excited singlet (S1) state of benzil have been studied in solution using pico and subpicosecond transient absorption spectroscopic techniques. The triple exponential decay dynamics of the S1 state indicates that the process of conformational change from the cis-skewed to the trans-planar form takes place via the formation of a meta-stable intermediate conformer resulting the involvement of two consequent barrier crossing processes. The barrier crossing dynamics is governed by both the polarity of the solvent, which alters the barrier heights by `static' interactions, as well as the viscosity of the solvent via `dynamical' interactions.

Interferometry of Klein tunnelling electrons in graphene quantum rings

NASA Astrophysics Data System (ADS)

de Sousa, D. J. P.; Chaves, Andrey; Pereira, J. M.; Farias, G. A.

2017-01-01

We theoretically study a current switch that exploits the phase acquired by a charge carrier as it tunnels through a potential barrier in graphene. The system acts as an interferometer based on an armchair graphene quantum ring, where the phase difference between interfering electronic wave functions for each path can be controlled by tuning either the height or the width of a potential barrier in the ring arms. By varying the parameters of the potential barriers, the interference can become completely destructive. We demonstrate how this interference effect can be used for developing a simple graphene-based logic gate with a high on/off ratio.

Graphite based Schottky diodes formed semiconducting substrates

NASA Astrophysics Data System (ADS)

Schumann, Todd; Tongay, Sefaattin; Hebard, Arthur

2010-03-01

We demonstrate the formation of semimetal graphite/semiconductor Schottky barriers where the semiconductor is either silicon (Si), gallium arsenide (GaAs) or 4H-silicon carbide (4H-SiC). The fabrication can be as easy as allowing a dab of graphite paint to air dry on any one of the investigated semiconductors. Near room temperature, the forward-bias diode characteristics are well described by thermionic emission, and the extracted barrier heights, which are confirmed by capacitance voltage measurements, roughly follow the Schottky-Mott relation. Since the outermost layer of the graphite electrode is a single graphene sheet, we expect that graphene/semiconductor barriers will manifest similar behavior.

First-Principles Study of the Band Diagrams and Schottky-Type Barrier Heights of Aqueous Ta3N5 Interfaces.

PubMed

Watanabe, Eriko; Ushiyama, Hiroshi; Yamashita, Koichi

2017-03-22

The photo(electro)chemical production of hydrogen by water splitting is an efficient and sustainable method for the utilization of solar energy. To improve photo(electro)catalytic activity, a Schottky-type barrier is typically useful to separate excited charge carriers in semiconductor electrodes. Here, we focused on studying the band diagrams and the Schottky-type barrier heights of Ta 3 N 5 , which is one of the most promising materials as a photoanode for water splitting. The band alignments of the undoped and n-type Ta 3 N 5 with adsorbents in a vacuum were examined to determine how impurities and adsorbents affect the band positions and Fermi energies. The band edge positions as well as the density of surface states clearly depended on the density of O N impurities in the bulk and surface regions. Finally, the band diagrams of the n-type Ta 3 N 5 /water interfaces were calculated with an improved interfacial model to include the effect of electrode potential with explicit water molecules. We observed partial Fermi level pinning in our calculations at the Ta 3 N 5 /water interface, which affects the driving force for charge separation.

Interface state density of free-standing GaN Schottky diodes

NASA Astrophysics Data System (ADS)

Faraz, S. M.; Ashraf, H.; Imran Arshad, M.; Hageman, P. R.; Asghar, M.; Wahab, Q.

2010-09-01

Schottky diodes were fabricated on the HVPE-grown, free-standing gallium nitride (GaN) layers of n- and p-types. Both contacts (ohmic and Schottky) were deposited on the top surface using Al/Ti and Pd/Ti/Au, respectively. The Schottky diode fabricated on n-GaN exhibited double barriers with values of 0.9 and 0.6 eV and better performance in the rectification factor together with reverse and forward currents with an ideality factor of 1.8. The barrier height for the p-GaN Schottky diode is 0.6 eV with an ideality factor of 4.16. From the capacitance-voltage (C-V) measurement, the net doping concentration of n-GaN is 4 × 1017 cm-3, resulting in a lower reverse breakdown of around -12 V. The interface state density (NSS) as a function of EC-ESS is found to be in the range 4.23 × 1012-3.87 × 1011 eV-1 cm-2 (below the conduction band) from Ec-0.90 to EC-0.99. Possible reasons responsible for the low barrier height and high ideality factor have been addressed.

Enhancing photoresponsivity using MoTe2-graphene vertical heterostructures

NASA Astrophysics Data System (ADS)

Kuiri, Manabendra; Chakraborty, Biswanath; Paul, Arup; Das, Subhadip; Sood, A. K.; Das, Anindya

2016-02-01

MoTe2 with a narrow band-gap of ˜1.1 eV is a promising candidate for optoelectronic applications, especially for the near-infrared photo detection. However, the photo responsivity of few layers MoTe2 is very small (<1 mA W-1). In this work, we show that a few layer MoTe2-graphene vertical heterostructures have a much larger photo responsivity of ˜20 mA W-1. The trans-conductance measurements with back gate voltage show on-off ratio of the vertical transistor to be ˜(0.5-1) × 105. The rectification nature of the source-drain current with the back gate voltage reveals the presence of a stronger Schottky barrier at the MoTe2-metal contact as compared to the MoTe2-graphene interface. In order to quantify the barrier height, it is essential to measure the work function of a few layers MoTe2, not known so far. We demonstrate a method to determine the work function by measuring the photo-response of the vertical transistor as a function of the Schottky barrier height at the MoTe2-graphene interface tuned by electrolytic top gating.

Effects of glutamine alone or in combination with zinc and vitamin A on growth, intestinal barrier function, stress and satiety-related hormones in Brazilian shantytown children.

PubMed

Lima, Aldo A M; Anstead, Gregory M; Zhang, Qiong; Figueiredo, Ítalo L; Soares, Alberto M; Mota, Rosa M S; Lima, Noélia L; Guerrant, Richard L; Oriá, Reinaldo B

2014-01-01

To determine the impact of supplemental zinc, vitamin A, and glutamine alone or in combination on growth, intestinal barrier function, stress and satiety-related hormones among Brazilian shantytown children with low median height-for-age z-scores. A randomized, double-blind, placebo-controlled trial was conducted in children aged two months to nine years from the urban shanty compound community of Fortaleza, Brazil. Demographic and anthropometric information was assessed. The random treatment groups available for testing (a total of 120 children) were as follows: (1) glutamine alone, n = 38; (2) glutamine plus vitamin A plus zinc, n = 37; and a placebo (zinc plus vitamin A vehicle) plus glycine (isonitrogenous to glutamine) control treatment, n = 38. Leptin, adiponectin, insulin-like growth factor (IGF-1), and plasma levels of cortisol were measured with immune-enzymatic assays; urinary lactulose/mannitol and serum amino acids were measured with high-performance liquid chromatography. ClinicalTrials.gov: NCT00133406. Glutamine treatment significantly improved weight-for-height z-scores compared to the placebo-glycine control treatment. Either glutamine alone or all nutrients combined prevented disruption of the intestinal barrier function, as measured by the percentage of lactulose urinary excretion and the lactulose:mannitol absorption ratio. Plasma leptin was negatively correlated with plasma glutamine (p = 0.002) and arginine (p = 0.001) levels at baseline. After glutamine treatment, leptin was correlated with weight-for-age (WAZ) and weight-for-height z-scores (WHZ) (p≤0.002) at a 4-month follow-up. In addition, glutamine and all combined nutrients (glutamine, vitamin A, and zinc) improved the intestinal barrier function in these children. Taken together, these findings reveal the benefits of glutamine alone or in combination with other gut-trophic nutrients in growing children via interactions with leptin.

Maximum range of a projectile launched from a height h: a non-calculus treatment

NASA Astrophysics Data System (ADS)

Ganci, S.; Lagomarsino, D.

2014-07-01

The classical example of problem solving, maximizing the range of a projectile launched from height h with velocity v over the ground level, has received various solutions. In some of these, one can find the maximization of the range R by differentiating R as a function of an independent variable or through the implicit differentiation in Cartesian or polar coordinates. In other papers, various elegant non-calculus solutions can be found. In this paper, this problem is revisited on the basis of the elementary analytical geometry and the trigonometry only.

Rare and low-frequency coding variants alter human adult height

PubMed Central

Marouli, Eirini; Graff, Mariaelisa; Medina-Gomez, Carolina; Lo, Ken Sin; Wood, Andrew R; Kjaer, Troels R; Fine, Rebecca S; Lu, Yingchang; Schurmann, Claudia; Highland, Heather M; Rüeger, Sina; Thorleifsson, Gudmar; Justice, Anne E; Lamparter, David; Stirrups, Kathleen E; Turcot, Valérie; Young, Kristin L; Winkler, Thomas W; Esko, Tõnu; Karaderi, Tugce; Locke, Adam E; Masca, Nicholas GD; Ng, Maggie CY; Mudgal, Poorva; Rivas, Manuel A; Vedantam, Sailaja; Mahajan, Anubha; Guo, Xiuqing; Abecasis, Goncalo; Aben, Katja K; Adair, Linda S; Alam, Dewan S; Albrecht, Eva; Allin, Kristine H; Allison, Matthew; Amouyel, Philippe; Appel, Emil V; Arveiler, Dominique; Asselbergs, Folkert W; Auer, Paul L; Balkau, Beverley; Banas, Bernhard; Bang, Lia E; Benn, Marianne; Bergmann, Sven; Bielak, Lawrence F; Blüher, Matthias; Boeing, Heiner; Boerwinkle, Eric; Böger, Carsten A; Bonnycastle, Lori L; Bork-Jensen, Jette; Bots, Michiel L; Bottinger, Erwin P; Bowden, Donald W; Brandslund, Ivan; Breen, Gerome; Brilliant, Murray H; Broer, Linda; Burt, Amber A; Butterworth, Adam S; Carey, David J; Caulfield, Mark J; Chambers, John C; Chasman, Daniel I; Chen, Yii-Der Ida; Chowdhury, Rajiv; Christensen, Cramer; Chu, Audrey Y; Cocca, Massimiliano; Collins, Francis S; Cook, James P; Corley, Janie; Galbany, Jordi Corominas; Cox, Amanda J; Cuellar-Partida, Gabriel; Danesh, John; Davies, Gail; de Bakker, Paul IW; de Borst, Gert J.; de Denus, Simon; de Groot, Mark CH; de Mutsert, Renée; Deary, Ian J; Dedoussis, George; Demerath, Ellen W; den Hollander, Anneke I; Dennis, Joe G; Di Angelantonio, Emanuele; Drenos, Fotios; Du, Mengmeng; Dunning, Alison M; Easton, Douglas F; Ebeling, Tapani; Edwards, Todd L; Ellinor, Patrick T; Elliott, Paul; Evangelou, Evangelos; Farmaki, Aliki-Eleni; Faul, Jessica D; Feitosa, Mary F; Feng, Shuang; Ferrannini, Ele; Ferrario, Marco M; Ferrieres, Jean; Florez, Jose C; Ford, Ian; Fornage, Myriam; Franks, Paul W; Frikke-Schmidt, Ruth; Galesloot, Tessel E; Gan, Wei; Gandin, Ilaria; Gasparini, Paolo; Giedraitis, Vilmantas; Giri, Ayush; Girotto, Giorgia; Gordon, Scott D; Gordon-Larsen, Penny; Gorski, Mathias; Grarup, Niels; Grove, Megan L.; Gudnason, Vilmundur; Gustafsson, Stefan; Hansen, Torben; Harris, Kathleen Mullan; Harris, Tamara B; Hattersley, Andrew T; Hayward, Caroline; He, Liang; Heid, Iris M; Heikkilä, Kauko; Helgeland, Øyvind; Hernesniemi, Jussi; Hewitt, Alex W; Hocking, Lynne J; Hollensted, Mette; Holmen, Oddgeir L; Hovingh, G. Kees; Howson, Joanna MM; Hoyng, Carel B; Huang, Paul L; Hveem, Kristian; Ikram, M. Arfan; Ingelsson, Erik; Jackson, Anne U; Jansson, Jan-Håkan; Jarvik, Gail P; Jensen, Gorm B; Jhun, Min A; Jia, Yucheng; Jiang, Xuejuan; Johansson, Stefan; Jørgensen, Marit E; Jørgensen, Torben; Jousilahti, Pekka; Jukema, J Wouter; Kahali, Bratati; Kahn, René S; Kähönen, Mika; Kamstrup, Pia R; Kanoni, Stavroula; Kaprio, Jaakko; Karaleftheri, Maria; Kardia, Sharon LR; Karpe, Fredrik; Kee, Frank; Keeman, Renske; Kiemeney, Lambertus A; Kitajima, Hidetoshi; Kluivers, Kirsten B; Kocher, Thomas; Komulainen, Pirjo; Kontto, Jukka; Kooner, Jaspal S; Kooperberg, Charles; Kovacs, Peter; Kriebel, Jennifer; Kuivaniemi, Helena; Küry, Sébastien; Kuusisto, Johanna; La Bianca, Martina; Laakso, Markku; Lakka, Timo A; Lange, Ethan M; Lange, Leslie A; Langefeld, Carl D; Langenberg, Claudia; Larson, Eric B; Lee, I-Te; Lehtimäki, Terho; Lewis, Cora E; Li, Huaixing; Li, Jin; Li-Gao, Ruifang; Lin, Honghuang; Lin, Li-An; Lin, Xu; Lind, Lars; Lindström, Jaana; Linneberg, Allan; Liu, Yeheng; Liu, Yongmei; Lophatananon, Artitaya; Luan, Jian'an; Lubitz, Steven A; Lyytikäinen, Leo-Pekka; Mackey, David A; Madden, Pamela AF; Manning, Alisa K; Männistö, Satu; Marenne, Gaëlle; Marten, Jonathan; Martin, Nicholas G; Mazul, Angela L; Meidtner, Karina; Metspalu, Andres; Mitchell, Paul; Mohlke, Karen L; Mook-Kanamori, Dennis O; Morgan, Anna; Morris, Andrew D; Morris, Andrew P; Müller-Nurasyid, Martina; Munroe, Patricia B; Nalls, Mike A; Nauck, Matthias; Nelson, Christopher P; Neville, Matt; Nielsen, Sune F; Nikus, Kjell; Njølstad, Pål R; Nordestgaard, Børge G; Ntalla, Ioanna; O'Connel, Jeffrey R; Oksa, Heikki; Loohuis, Loes M Olde; Ophoff, Roel A; Owen, Katharine R; Packard, Chris J; Padmanabhan, Sandosh; Palmer, Colin NA; Pasterkamp, Gerard; Patel, Aniruddh P; Pattie, Alison; Pedersen, Oluf; Peissig, Peggy L; Peloso, Gina M; Pennell, Craig E; Perola, Markus; Perry, James A; Perry, John R.B.; Person, Thomas N; Pirie, Ailith; Polasek, Ozren; Posthuma, Danielle; Raitakari, Olli T; Rasheed, Asif; Rauramaa, Rainer; Reilly, Dermot F; Reiner, Alex P; Renström, Frida; Ridker, Paul M; Rioux, John D; Robertson, Neil; Robino, Antonietta; Rolandsson, Olov; Rudan, Igor; Ruth, Katherine S; Saleheen, Danish; Salomaa, Veikko; Samani, Nilesh J; Sandow, Kevin; Sapkota, Yadav; Sattar, Naveed; Schmidt, Marjanka K; Schreiner, Pamela J; Schulze, Matthias B; Scott, Robert A; Segura-Lepe, Marcelo P; Shah, Svati; Sim, Xueling; Sivapalaratnam, Suthesh; Small, Kerrin S; Smith, Albert Vernon; Smith, Jennifer A; Southam, Lorraine; Spector, Timothy D; Speliotes, Elizabeth K; Starr, John M; Steinthorsdottir, Valgerdur; Stringham, Heather M; Stumvoll, Michael; Surendran, Praveen; Hart, Leen M ‘t; Tansey, Katherine E; Tardif, Jean-Claude; Taylor, Kent D; Teumer, Alexander; Thompson, Deborah J; Thorsteinsdottir, Unnur; Thuesen, Betina H; Tönjes, Anke; Tromp, Gerard; Trompet, Stella; Tsafantakis, Emmanouil; Tuomilehto, Jaakko; Tybjaerg-Hansen, Anne; Tyrer, Jonathan P; Uher, Rudolf; Uitterlinden, André G; Ulivi, Sheila; van der Laan, Sander W; Van Der Leij, Andries R; van Duijn, Cornelia M; van Schoor, Natasja M; van Setten, Jessica; Varbo, Anette; Varga, Tibor V; Varma, Rohit; Edwards, Digna R Velez; Vermeulen, Sita H; Vestergaard, Henrik; Vitart, Veronique; Vogt, Thomas F; Vozzi, Diego; Walker, Mark; Wang, Feijie; Wang, Carol A; Wang, Shuai; Wang, Yiqin; Wareham, Nicholas J; Warren, Helen R; Wessel, Jennifer; Willems, Sara M; Wilson, James G; Witte, Daniel R; Woods, Michael O; Wu, Ying; Yaghootkar, Hanieh; Yao, Jie; Yao, Pang; Yerges-Armstrong, Laura M; Young, Robin; Zeggini, Eleftheria; Zhan, Xiaowei; Zhang, Weihua; Zhao, Jing Hua; Zhao, Wei; Zhao, Wei; Zheng, He; Zhou, Wei; Rotter, Jerome I; Boehnke, Michael; Kathiresan, Sekar; McCarthy, Mark I; Willer, Cristen J; Stefansson, Kari; Borecki, Ingrid B; Liu, Dajiang J; North, Kari E; Heard-Costa, Nancy L; Pers, Tune H; Lindgren, Cecilia M; Oxvig, Claus; Kutalik, Zoltán; Rivadeneira, Fernando; Loos, Ruth JF; Frayling, Timothy M; Hirschhorn, Joel N; Deloukas, Panos; Lettre, Guillaume

2016-01-01

Summary Height is a highly heritable, classic polygenic trait with ∼700 common associated variants identified so far through genome-wide association studies. Here, we report 83 height-associated coding variants with lower minor allele frequencies (range of 0.1-4.8%) and effects of up to 2 cm/allele (e.g. in IHH, STC2, AR and CRISPLD2), >10 times the average effect of common variants. In functional follow-up studies, rare height-increasing alleles of STC2 (+1-2 cm/allele) compromised proteolytic inhibition of PAPP-A and increased cleavage of IGFBP-4 in vitro, resulting in higher bioavailability of insulin-like growth factors. These 83 height-associated variants overlap genes mutated in monogenic growth disorders and highlight new biological candidates (e.g. ADAMTS3, IL11RA, NOX4) and pathways (e.g. proteoglycan/glycosaminoglycan synthesis) involved in growth. Our results demonstrate that sufficiently large sample sizes can uncover rare and low-frequency variants of moderate to large effect associated with polygenic human phenotypes, and that these variants implicate relevant genes and pathways. PMID:28146470

Large-scale field testing on flexible shallow landslide barriers

NASA Astrophysics Data System (ADS)

Bugnion, Louis; Volkwein, Axel; Wendeler, Corinna; Roth, Andrea

2010-05-01

Open shallow landslides occur regularly in a wide range of natural terrains. Generally, they are difficult to predict and result in damages to properties and disruption of transportation systems. In order to improve the knowledge about the physical process itself and to develop new protection measures, large-scale field experiments were conducted in Veltheim, Switzerland. Material was released down a 30° inclined test slope into a flexible barrier. The flow as well as the impact into the barrier was monitored using various measurement techniques. Laser devices recording flow heights, a special force plate measuring normal and shear basal forces as well as load cells for impact pressures were installed along the test slope. In addition, load cells were built in the support and retaining cables of the barrier to provide data for detailed back-calculation of load distribution during impact. For the last test series an additional guiding wall in flow direction on both sides of the barrier was installed to achieve higher impact pressures in the middle of the barrier. With these guiding walls the flow is not able to spread out before hitting the barrier. A special constructed release mechanism simulating the sudden failure of the slope was designed such that about 50 m3 of mixed earth and gravel saturated with water can be released in an instant. Analysis of cable forces combined with impact pressures and velocity measurements during a test series allow us now to develop a load model for the barrier design. First numerical simulations with the software tool FARO, originally developed for rockfall barriers and afterwards calibrated for debris flow impacts, lead already to structural improvements on barrier design. Decisive for the barrier design is the first dynamic impact pressure depending on the flow velocity and afterwards the hydrostatic pressure of the complete retained material behind the barrier. Therefore volume estimation of open shallow landslides by assessing the thickness of the failure layer and the width of the possible failure are essential for the required barrier design parameter height and width. First results of the calculated drag coefficients of dynamic impact pressure measurements showed that the dynamic coefficient cw is much lower than 1.0 which is contradictory to most of existing dimensioning property protection guidelines. It appears to us that special adaptation to the system like smaller mesh sizes and special ground-barrier interface compared to normal rock-fall barriers and channelised debris flow barriers are necessary to improve the retention behavior of shallow landslide barriers. Detailed analysis of the friction coefficient in relationship with pore water pressure measurements gives interesting insights into the dynamic of fluid-solid mixed flows. Impact pressures dependencies on flow features are analyzed and discussed with respect to existing models and guidelines for shallow landslides.

Conduction and rectification in NbO{sub x}- and NiO-based metal-insulator-metal diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Osgood, Richard M., E-mail: richard.m.osgood.civ@mail.mil; Giardini, Stephen; Carlson, Joel

2016-09-15

Conduction and rectification in nanoantenna-coupled NbO{sub x}- and NiO-based metal-insulator-metal (MIM) diodes (“nanorectennas”) are studied by comparing new theoretical predictions with the measured response of nanorectenna arrays. A new quantum mechanical model is reported and agrees with measurements of current–voltage (I–V) curves, over 10 orders of magnitude in current density, from [NbO{sub x}(native)-Nb{sub 2}O{sub 5}]- and NiO-based samples with oxide thicknesses in the range of 5–36 nm. The model, which introduces new physics and features, including temperature, electron effective mass, and image potential effects using the pseudobarrier technique, improves upon widely used earlier models, calculates the MIM diode's I–V curve, andmore » predicts quantitatively the rectification responsivity of high frequency voltages generated in a coupled nanoantenna array by visible/near-infrared light. The model applies both at the higher frequencies, when high-energy photons are incident, and at lower frequencies, when the formula for classical rectification, involving derivatives of the I–V curve, may be used. The rectified low-frequency direct current is well-predicted in this work's model, but not by fitting the experimentally measured I–V curve with a polynomial or by using the older Simmons model (as shown herein). By fitting the measured I–V curves with our model, the barrier heights in Nb-(NbO{sub x}(native)-Nb{sub 2}O{sub 5})-Pt and Ni-NiO-Ti/Ag diodes are found to be 0.41/0.77 and 0.38/0.39 eV, respectively, similar to literature reports, but with effective mass much lower than the free space value. The NbO{sub x} (native)-Nb{sub 2}O{sub 5} dielectric properties improve, and the effective Pt-Nb{sub 2}O{sub 5} barrier height increases as the oxide thickness increases. An observation of direct current of ∼4 nA for normally incident, focused 514 nm continuous wave laser beams are reported, similar in magnitude to recent reports. This measured direct current is compared to the prediction for rectified direct current, given by the rectification responsivity, calculated from the I–V curve times input power.« less

A simple explanation of the classic hydrostatic paradox

NASA Astrophysics Data System (ADS)

Kontomaris, Stylianos-Vasileios; Malamou, Anna

2016-07-01

An interesting problem in fluid mechanics, with significant educational importance, is the classic hydrostatic paradox. The hydrostatic paradox states the fact that in different shaped containers, with the same base area, which are filled with a liquid of the same height, the applied force by the liquid on the base of each container is exactly the same. However, if the shape of the container is different, the amount of the liquid (and as a consequence the weight) can greatly vary. In this paper, a simple explanation of the hydrostatic paradox, specifically designed and implemented for educational purposes regarding secondary education, is provided.

Comparison of lower limb kinetics during vertical jumps in turnout and neutral foot positions by classical ballet dancers.

PubMed

Imura, Akiko; Iino, Yoichi

2017-03-01

The purpose of this study was to investigate the effect of hip external rotation (turnout) on lower limb kinetics during vertical jumps by classical ballet dancers. Vertical jumps in a turnout (TJ) and a neutral hip position (NJ) performed by 12 classical female ballet dancers were analysed through motion capture, recording of the ground reaction forces, and inverse dynamics analysis. At push-off, the lower trunk leaned forward 18.2° and 20.1° in the TJ and NJ, respectively. The dancers jumped lower in the TJ than in the NJ. The knee extensor and hip abductor torques were smaller, whereas the hip external rotator torque was larger in the TJ than in the NJ. The work done by the hip joint moments in the sagittal plane was 0.28 J/(Body mass*Height) and 0.33 J/(Body mass*Height) in the TJ and NJ, respectively. The joint work done by the lower limbs were not different between the two jumps. These differences resulted from different planes in which the lower limb flexion-extension occurred, i.e. in the sagittal or frontal plane. This would prevent the forward lean of the trunk by decreasing the hip joint work in the sagittal plane and reduce the knee extensor torque in the jump.

GaN Schottky diodes with single-crystal aluminum barriers grown by plasma-assisted molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tseng, H. Y.; Yang, W. C.; Lee, P. Y.

2016-08-22

GaN-based Schottky barrier diodes (SBDs) with single-crystal Al barriers grown by plasma-assisted molecular beam epitaxy are fabricated. Examined using in-situ reflection high-energy electron diffractions, ex-situ high-resolution x-ray diffractions, and high-resolution transmission electron microscopy, it is determined that epitaxial Al grows with its [111] axis coincident with the [0001] axis of the GaN substrate without rotation. In fabricated SBDs, a 0.2 V barrier height enhancement and 2 orders of magnitude reduction in leakage current are observed in single crystal Al/GaN SBDs compared to conventional thermal deposited Al/GaN SBDs. The strain induced piezoelectric field is determined to be the major source of themore » observed device performance enhancements.« less

Conductance of graphene-based double-barrier nanostructures.

PubMed

Setare, M R; Jahani, D

2010-12-22

The effect of a mass gap on the conductance of graphene double-barrier heterojunctions is studied. By obtaining the 2D expression for the electronic transport of the low energy excitations of pure graphene through double-barrier systems, it is found that the conductivity of these structures does not depend on the type of charge carriers in the zones of the electric field. However, a finite induced gap in the graphene spectrum makes conductivity dependent on the energy band index. We also discuss a few controversies concerning double-barrier systems stemming from an improper choice of the scattering angle. Then it is observed that, for some special values of the incident energy and potential's height, graphene junctions behave like left-handed materials, resulting in a maximum value for the conductivity.

Spin-resolved conductance of Dirac electrons through multibarrier arrays

NASA Astrophysics Data System (ADS)

Dahal, Dipendra; Gumbs, Godfrey; Iurov, Andrii

We use a transfer matrix method to calculate the transmission coefficient of Dirac electrons through an arbitrary number of square potential barrier in gapped monolayer graphene(MLG) and bilayer graphene (BLG). The widths of barriers may not be chosen equal. The shift in the angle of incidence and the width of the barrier required for resonance are investigated numerically for both MLG and BLG. We compare the effects due to energy gap on these two transmission coefficient for each of these two structures (MLG and BLG). We present our results as functions of barrier width, height as well as incoming electron energy as well as band gap and examine the conditions for which perfect reflection or transmission occurs. Our transmission data are further used to calculate conductivity.

Current-induced changes of migration energy barriers in graphene and carbon nanotubes.

PubMed

Obodo, J T; Rungger, I; Sanvito, S; Schwingenschlögl, U

2016-05-21

An electron current can move atoms in a nanoscale device with important consequences for the device operation and breakdown. We perform first principles calculations aimed at evaluating the possibility of changing the energy barriers for atom migration in carbon-based systems. In particular, we consider the migration of adatoms and defects in graphene and carbon nanotubes. Although the current-induced forces are large for both the systems, in graphene the force component along the migration path is small and therefore the barrier height is little affected by the current flow. In contrast, the same barrier is significantly reduced in carbon nanotubes as the current increases. Our work also provides a real-system numerical demonstration that current-induced forces within density functional theory are non-conservative.

Why mucosal health?

USDA-ARS?s Scientific Manuscript database

Aquaculture species depend more heavily on mucosal barriers than their terrestrial agricultural counterparts as they are continuously interacting with the aquatic microbiota. Unlike classical immune centers, such as the spleen and kidney, the accessibility of mucosal surfaces through immersion/dip t...

Surmounting elusive barriers: the case for bioethics mediation.

PubMed

Bergman, Edward J

2013-01-01

This article describes, analyzes, and advocates for management of clinical healthcare conflict by a process commonly referred to as bioethics mediation. Section I provides a brief introduction to classical mediation outside the realm of clinical healthcare. Section II highlights certain distinguishing characteristics of bioethics mediation. Section III chronicles the history of bioethics mediation and references a number of seminal writings on the subject. Finally, Section IV analyzes barriers that have, thus far, limited the widespread implementation of bioethics mediation.

Frictional lubricity enhanced by quantum mechanics.

PubMed

Zanca, Tommaso; Pellegrini, Franco; Santoro, Giuseppe E; Tosatti, Erio

2018-04-03

The quantum motion of nuclei, generally ignored in the physics of sliding friction, can affect in an important manner the frictional dissipation of a light particle forced to slide in an optical lattice. The density matrix-calculated evolution of the quantum version of the basic Prandtl-Tomlinson model, describing the dragging by an external force of a point particle in a periodic potential, shows that purely classical friction predictions can be very wrong. The strongest quantum effect occurs not for weak but for strong periodic potentials, where barriers are high but energy levels in each well are discrete, and resonant Rabi or Landau-Zener tunneling to states in the nearest well can preempt classical stick-slip with nonnegligible efficiency, depending on the forcing speed. The resulting permeation of otherwise unsurmountable barriers is predicted to cause quantum lubricity, a phenomenon which we expect should be observable in the recently implemented sliding cold ion experiments.

Permeating disciplines: Overcoming barriers between molecular simulations and classical structure-function approaches in biological ion transport.

PubMed

Howard, Rebecca J; Carnevale, Vincenzo; Delemotte, Lucie; Hellmich, Ute A; Rothberg, Brad S

2018-04-01

Ion translocation across biological barriers is a fundamental requirement for life. In many cases, controlling this process-for example with neuroactive drugs-demands an understanding of rapid and reversible structural changes in membrane-embedded proteins, including ion channels and transporters. Classical approaches to electrophysiology and structural biology have provided valuable insights into several such proteins over macroscopic, often discontinuous scales of space and time. Integrating these observations into meaningful mechanistic models now relies increasingly on computational methods, particularly molecular dynamics simulations, while surfacing important challenges in data management and conceptual alignment. Here, we seek to provide contemporary context, concrete examples, and a look to the future for bridging disciplinary gaps in biological ion transport. This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain. Copyright © 2017 Elsevier B.V. All rights reserved.

Microscopic dynamics of charge separation at the aqueous electrochemical interface.

PubMed

Kattirtzi, John A; Limmer, David T; Willard, Adam P

2017-12-19

We have used molecular simulation and methods of importance sampling to study the thermodynamics and kinetics of ionic charge separation at a liquid water-metal interface. We have considered this process using canonical examples of two different classes of ions: a simple alkali-halide pair, Na + I - , or classical ions, and the products of water autoionization, H 3 O + OH - , or water ions. We find that for both ion classes, the microscopic mechanism of charge separation, including water's collective role in the process, is conserved between the bulk liquid and the electrode interface. However, the thermodynamic and kinetic details of the process differ between these two environments in a way that depends on ion type. In the case of the classical ion pairs, a higher free-energy barrier to charge separation and a smaller flux over that barrier at the interface result in a rate of dissociation that is 40 times slower relative to the bulk. For water ions, a slightly higher free-energy barrier is offset by a higher flux over the barrier from longer lived hydrogen-bonding patterns at the interface, resulting in a rate of association that is similar both at and away from the interface. We find that these differences in rates and stabilities of charge separation are due to the altered ability of water to solvate and reorganize in the vicinity of the metal interface.

Microscopic dynamics of charge separation at the aqueous electrochemical interface

PubMed Central

Kattirtzi, John A.; Limmer, David T.; Willard, Adam P.

2017-01-01

We have used molecular simulation and methods of importance sampling to study the thermodynamics and kinetics of ionic charge separation at a liquid water–metal interface. We have considered this process using canonical examples of two different classes of ions: a simple alkali–halide pair, Na+I−, or classical ions, and the products of water autoionization, H3O+OH−, or water ions. We find that for both ion classes, the microscopic mechanism of charge separation, including water’s collective role in the process, is conserved between the bulk liquid and the electrode interface. However, the thermodynamic and kinetic details of the process differ between these two environments in a way that depends on ion type. In the case of the classical ion pairs, a higher free-energy barrier to charge separation and a smaller flux over that barrier at the interface result in a rate of dissociation that is 40 times slower relative to the bulk. For water ions, a slightly higher free-energy barrier is offset by a higher flux over the barrier from longer lived hydrogen-bonding patterns at the interface, resulting in a rate of association that is similar both at and away from the interface. We find that these differences in rates and stabilities of charge separation are due to the altered ability of water to solvate and reorganize in the vicinity of the metal interface. PMID:28698368

Research on Inversion Models for Forest Height Estimation Using Polarimetric SAR Interferometry

NASA Astrophysics Data System (ADS)

Zhang, L.; Duan, B.; Zou, B.

2017-09-01

The forest height is an important forest resource information parameter and usually used in biomass estimation. Forest height extraction with PolInSAR is a hot research field of imaging SAR remote sensing. SAR interferometry is a well-established SAR technique to estimate the vertical location of the effective scattering center in each resolution cell through the phase difference in images acquired from spatially separated antennas. The manipulation of PolInSAR has applications ranging from climate monitoring to disaster detection especially when used in forest area, is of particular interest because it is quite sensitive to the location and vertical distribution of vegetation structure components. However, some of the existing methods can't estimate forest height accurately. Here we introduce several available inversion models and compare the precision of some classical inversion approaches using simulated data. By comparing the advantages and disadvantages of these inversion methods, researchers can find better solutions conveniently based on these inversion methods.

Atomically Thin Al2O3 Films for Tunnel Junctions

NASA Astrophysics Data System (ADS)

Wilt, Jamie; Gong, Youpin; Gong, Ming; Su, Feifan; Xu, Huikai; Sakidja, Ridwan; Elliot, Alan; Lu, Rongtao; Zhao, Shiping; Han, Siyuan; Wu, Judy Z.

2017-06-01

Metal-insulator-metal tunnel junctions are common throughout the microelectronics industry. The industry standard AlOx tunnel barrier, formed through oxygen diffusion into an Al wetting layer, is plagued by internal defects and pinholes which prevent the realization of atomically thin barriers demanded for enhanced quantum coherence. In this work, we employ in situ scanning tunneling spectroscopy along with molecular-dynamics simulations to understand and control the growth of atomically thin Al2O3 tunnel barriers using atomic-layer deposition. We find that a carefully tuned initial H2O pulse hydroxylated the Al surface and enabled the creation of an atomically thin Al2O3 tunnel barrier with a high-quality M -I interface and a significantly enhanced barrier height compared to thermal AlOx . These properties, corroborated by fabricated Josephson junctions, show that atomic-layer deposition Al2O3 is a dense, leak-free tunnel barrier with a low defect density which can be a key component for the next generation of metal-insulator-metal tunnel junctions.

Methods for fabricating a micro heat barrier

DOEpatents

Marshall, Albert C.; Kravitz, Stanley H.; Tigges, Chris P.; Vawter, Gregory A.

2004-01-06

Methods for fabricating a highly effective, micron-scale micro heat barrier structure and process for manufacturing a micro heat barrier based on semiconductor and/or MEMS fabrication techniques. The micro heat barrier has an array of non-metallic, freestanding microsupports with a height less than 100 microns, attached to a substrate. An infrared reflective membrane (e.g., 1 micron gold) can be supported by the array of microsupports to provide radiation shielding. The micro heat barrier can be evacuated to eliminate gas phase heat conduction and convection. Semi-isotropic, reactive ion plasma etching can be used to create a microspike having a cusp-like shape with a sharp, pointed tip (<0.1 micron), to minimize the tip's contact area. A heat source can be placed directly on the microspikes. The micro heat barrier can have an apparent thermal conductivity in the range of 10.sup.-6 to 10.sup.-7 W/m-K. Multiple layers of reflective membranes can be used to increase thermal resistance.

Analysing black phosphorus transistors using an analytic Schottky barrier MOSFET model.

PubMed

Penumatcha, Ashish V; Salazar, Ramon B; Appenzeller, Joerg

2015-11-13

Owing to the difficulties associated with substitutional doping of low-dimensional nanomaterials, most field-effect transistors built from carbon nanotubes, two-dimensional crystals and other low-dimensional channels are Schottky barrier MOSFETs (metal-oxide-semiconductor field-effect transistors). The transmission through a Schottky barrier-MOSFET is dominated by the gate-dependent transmission through the Schottky barriers at the metal-to-channel interfaces. This makes the use of conventional transistor models highly inappropriate and has lead researchers in the past frequently to extract incorrect intrinsic properties, for example, mobility, for many novel nanomaterials. Here we propose a simple modelling approach to quantitatively describe the transfer characteristics of Schottky barrier-MOSFETs from ultra-thin body materials accurately in the device off-state. In particular, after validating the model through the analysis of a set of ultra-thin silicon field-effect transistor data, we have successfully applied our approach to extract Schottky barrier heights for electrons and holes in black phosphorus devices for a large range of body thicknesses.

Analysing black phosphorus transistors using an analytic Schottky barrier MOSFET model

PubMed Central

Penumatcha, Ashish V.; Salazar, Ramon B.; Appenzeller, Joerg

2015-01-01

Owing to the difficulties associated with substitutional doping of low-dimensional nanomaterials, most field-effect transistors built from carbon nanotubes, two-dimensional crystals and other low-dimensional channels are Schottky barrier MOSFETs (metal-oxide-semiconductor field-effect transistors). The transmission through a Schottky barrier-MOSFET is dominated by the gate-dependent transmission through the Schottky barriers at the metal-to-channel interfaces. This makes the use of conventional transistor models highly inappropriate and has lead researchers in the past frequently to extract incorrect intrinsic properties, for example, mobility, for many novel nanomaterials. Here we propose a simple modelling approach to quantitatively describe the transfer characteristics of Schottky barrier-MOSFETs from ultra-thin body materials accurately in the device off-state. In particular, after validating the model through the analysis of a set of ultra-thin silicon field-effect transistor data, we have successfully applied our approach to extract Schottky barrier heights for electrons and holes in black phosphorus devices for a large range of body thicknesses. PMID:26563458

Oscillations above the barrier in the fusion of 28Si + 28Si

DOE PAGES

Montagnoli, G.; Stefanini, A.M.; Esbensen, H.; ...

2015-05-13

Fusion cross sections of 28Si+ 28Si have been measured in a range above the barrier with a very small energy step (Delta E lab=0.5 MeV). Regular oscillations have been observed, best evidenced in the first derivative of the energy-weighted excitation function. For the first time, quite different behaviors (the appearance of oscillations and the trend of sub-barrier cross sections) have been reproduced within the same theoretical frame, i.e., the coupled-channel model using the shallow M3Y+repulsion potential. The calculations suggest that channel couplings play an important role in the appearance of the oscillations, and that the simple relation between a peakmore » in the derivative of the energy-weighted cross section and the height of a centrifugal barrier is lost, and so is the interpretation of the second derivative of the excitation function as a barrier distribution for this system, at energies above the Coulomb barrier.« less

Atomistic simulations of activated processes in nanoparticles synthesis

NASA Astrophysics Data System (ADS)

Giberti, Federico; Galli, Giulia

Core-shell and Janus nanopartices are promising building blocks for new, highly efficient solar cells. One of the most common synthetic pathways to produce such nanostructures is the use of cation exchange reactions. Although widely used, these procedures are not completely understood. We employed classical Molecular Dynamics and Monte Carlo simulations to understand these transformation at the molecular level; in particular we investigated the conversion from CdSe (sphalerite) to PbSe (rocksalt) NPs with 2-3 nm diameter. In order to recover the equilibrium free energy surfaces we used state of the art enhanced sampling techniques, including Metadynamics. The formation of hybrid core-shell structures resulted to be an activated process, where the limiting step is the transition of a sphalerite to a rocksalt PbSe nucleus. We found that the barrier height and the stability of the two phases depend on the size of the PbSe nucleus, suggesting that the process could proceed via a two step mechanism, where a small sphalerite nucleus is formed first, and it then transforms to a rocksalt nucleus. Our results give insight into possible manipulation processes at the molecular scale, which could be used to stabilize metastable NPs and tune their physical and chemical properties. This work was supported by the DOE Grant No. DE-FG02-06ER46262.

Stochastic kinetics reveal imperative role of anisotropic interfacial tension to determine morphology and evolution of nucleated droplets in nematogenic films

NASA Astrophysics Data System (ADS)

Bhattacharjee, Amit Kumar

2017-01-01

For isotropic fluids, classical nucleation theory predicts the nucleation rate, barrier height and critical droplet size by ac- counting for the competition between bulk energy and interfacial tension. The nucleation process in liquid crystals is less understood. We numerically investigate nucleation in monolayered nematogenic films using a mesoscopic framework, in par- ticular, we study the morphology and kinetic pathway in spontaneous formation and growth of droplets of the stable phase in the metastable background. The parameter κ that quantifies the anisotropic elastic energy plays a central role in determining the geometric structure of the droplets. Noncircular nematic droplets with homogeneous director orientation are nucleated in a background of supercooled isotropic phase for small κ. For large κ, noncircular droplets with integer topological charge, accompanied by a biaxial ring at the outer surface, are nucleated. The isotropic droplet shape in a superheated nematic background is found to depend on κ in a similar way. Identical growth laws are found in the two cases, although an unusual two-stage mechanism is observed in the nucleation of isotropic droplets. Temporal distributions of successive events indi- cate the relevance of long-ranged elasticity-mediated interactions within the isotropic domains. Implications for a theoretical description of nucleation in anisotropic fluids are discussed.

Wave Overtopping of a Barrier Beach

DTIC Science & Technology

2009-09-01

but can result in increased dune erosion along Scenic Road as occurred in 1993, 1997, and 2005 (James, 2005). Field data and observations for...factors are equal to 1. The equations for these run-up formulas are parameterized on significant wave height at the toe of the structure as measured in...3 exp C r SS RQ C D HgH γ ⎛ ⎞ = −⎜ ⎟ ⎝ ⎠ 2pξ > where the significant wave height at the toe of the structure, SH and pT are used. Again the

Post-storm beach and dune recovery: Implications for barrier island resilience

NASA Astrophysics Data System (ADS)

Houser, Chris; Wernette, Phil; Rentschlar, Elizabeth; Jones, Hannah; Hammond, Brianna; Trimble, Sarah

2015-04-01

The ability of beaches and dunes to recover following an extreme storm is a primary control of barrier island response to sea-level rise and changes in the frequency and/or magnitude of storm surges. Whereas erosion of the beach and dune occurs over hours and days, it can be years to decades before the beach and dune are able to recover to their pre-storm state. As a consequence, there are numerous descriptions of near-instantaneous beach and dune erosion due to storms, the immediate onshore transport of sand, and the initial phases of beach and dune recovery following a storm, but a paucity of data on long-term beach and dune recovery. A combination of previously published data from Galveston Island, Texas and new remotely sensed data from Santa Rosa Island, Florida is used in the present study to quantify the rate of dune recovery for dissipative and intermediate beach types, respectively. Recovery of the dune height and volume on Galveston Island was observed within two years following Hurricane Alicia (1983) and was largely complete within six years of the storm, despite extensive washover. In contrast, the dunes on Santa Rosa Island in Northwest Florida began to recover four years after Hurricane Ivan (2004), and only after the profile approached its pre-storm level and the rate of vegetation recovery (regrowth) was at a maximum. Results show that complete recovery of the largest dunes (in height and volume) will take approximately 10 years on Santa Rosa Island, which suggests that these sections of the island are particularly vulnerable to significant change in island morphology if there is also a change in the frequency and magnitude of storm events. In contrast, the areas of the island with the smallest dunes before Hurricane Ivan exhibited a rapid recovery, but no further growth in profile volume and dune height beyond the pre-storm volume and height, despite continued recovery of the largest dunes to their pre-storm height. A change in storm magnitude and/or frequency is a potential threat to barrier island resilience, particularly for those sections of the island where dune recovery has historically taken the longest time. Further study is required to determine how and why dune recovery varies for the dissipative and intermediate beaches of Galveston Island and Santa Rosa Island, respectively.

Small Barriers Trigger Liftoff of Unconfined Dilute Heated Laboratory Density Currents

NASA Astrophysics Data System (ADS)

Fauria, K.; Andrews, B. J.; Manga, M.

2015-12-01

Dilute pyroclastic density currents (PDCs) are hot, turbulent, particle-laden flows that propagate because they are denser than air. PDCs can traverse tens to hundreds of kilometers and surmount ridges 100s of m tall, yet the effects of complex topography on PDC liftoff and runout distance are uncertain. Here we used scaled laboratory experiments to explore how barriers affect dilute density current dynamics and the occurrence of liftoff. We created dilute density currents by heating and suspending 20 μm diameter talc in air in an 8.5 x 6.1 x 2.6 m tank. We scaled the currents with respect to Froude, densimetric and thermal Richardson, particle Stokes and Settling numbers such that they were dynamically similar to natural PDCs. While currents were fully turbulent, their Reynolds numbers were not as high as those for natural PDCs. We performed the first set of experiments in a laterally unconfined volume, used laser sheets to illuminate the currents, measured bulk sedimentation rates down the current centerlines, and positioned four to twenty-four cm tall ridge-like barriers in the path of the currents. We found that relatively small barriers (~ half the current height) caused PDC liftoff. By comparison, conservation of kinetic and potential energy predicts that incompressible density currents are able to surmount barriers twice their height. Furthermore, we observed increased sedimentation immediately upstream of barriers and conclude that small barriers initiated buoyancy reversal through a combination of increased air entrainment and sedimentation. We conducted a second set of experiments with the same thermal scaling and mass flux rates but where the currents were laterally confined within a 0.6 m wide channel. We found that small barriers also triggered liftoff of confined currents, but that the body of these currents reattached after liftoff. Those results suggest that lateral confinement inhibits buoyancy reversal by limiting the surface area of the current-air interface and air entrainment. Real dilute PDCs that originate in confined valleys may therefore have different fates and longer runout distances than those on unconfined planes.

Non-classical nuclei and growth kinetics of Cr precipitates in FeCr alloys during ageing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yulan; Hu, Shenyang Y.; Zhang, Lei

2014-01-10

In this manuscript, we quantitatively calculated the thermodynamic properties of critical nuclei of Cr precipitates in FeCr alloys. The concentration profiles of the critical nuclei and nucleation energy barriers were predicted by the constrained shrinking dimer dynamics (CSDD) method. It is found that Cr concentration distribution in the critical nuclei strongly depend on the overall Cr concentration as well as temperature. The critical nuclei are non-classical because the concentration in the nuclei is smaller than the thermodynamic equilibrium value. These results are in agreement with atomic probe observation. The growth kinetics of both classical and non-classical nuclei was investigated bymore » the phase field approach. The simulations of critical nucleus evolution showed a number of interesting phenomena: 1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; 2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics. 3) a critical classical nucleus grows faster at the earlier growth stage than the non-classical nucleus. All of these results demonstrate that it is critical to introduce the correct critical nuclei in order to correctly capture the kinetics of precipitation.« less

Nanocrystals with linear and branched topology

DOEpatents

Alivisatos, A. Paul; Milliron, Delia; Manna, Liberato; Hughes, Steven M.

2007-12-04

Disclosed herein are nanostructures comprising distinct dots and rods coupled through potential barriers of tuneable height and width, and arranged in three dimensional space at well defined angles and distances. Such control allows investigation of potential applications ranging from quantum information processing to artificial photosynthesis.

Ballistics-Electron-Microscopy and Spectroscopy of Metal/GaN Interfaces

NASA Technical Reports Server (NTRS)

Bell, L. D.; Smith, R. P.; McDermott, B. T.; Gertner, E. R.; Pittman, R.; Pierson, R. L.; Sullivan, G. J.

1997-01-01

BEEM spectroscopy and imaging have been applied to the Au/GaN interface. In contrast to previous BEEM measurements, spectra yield a Schottky barrier height of 1.04eV that agrees well with the highest values measured by conventional methods.

1-kV vertical Ga2O3 field-plated Schottky barrier diodes

NASA Astrophysics Data System (ADS)

Konishi, Keita; Goto, Ken; Murakami, Hisashi; Kumagai, Yoshinao; Kuramata, Akito; Yamakoshi, Shigenobu; Higashiwaki, Masataka

2017-03-01

Ga2O3 field-plated Schottky barrier diodes (FP-SBDs) were fabricated on a Si-doped n--Ga2O3 drift layer grown by halide vapor phase epitaxy on a Sn-doped n+-Ga2O3 (001) substrate. The specific on-resistance of the Ga2O3 FP-SBD was estimated to be 5.1 mΩ.cm2. Successful field-plate engineering resulted in a high breakdown voltage of 1076 V. A larger-than-expected effective barrier height of 1.46 eV, which was extracted from the temperature-dependent current-voltage characteristics, could be caused by the effect of fluorine atoms delivered in a hydrofluoric acid solution process.

Intercalating cobalt between graphene and iridium (111): Spatially dependent kinetics from the edges

NASA Astrophysics Data System (ADS)

Vlaic, Sergio; Rougemaille, Nicolas; Kimouche, Amina; Burgos, Benito Santos; Locatelli, Andrea; Coraux, Johann

2017-10-01

Using low-energy electron microscopy, we image in real time the intercalation of a cobalt monolayer between graphene and the (111) surface of iridium. Our measurements reveal that the edges of a graphene flake represent an energy barrier to intercalation. Based on a simple description of the growth kinetics, we estimate this energy barrier and find small, but substantial, local variations. These local variations suggest a possible influence of the graphene orientation with respect to its substrate and of the graphene edge termination on the energy value of the barrier height. Besides, our measurements show that intercalated cobalt is energetically more favorable than cobalt on bare iridium, indicating a surfactant role of graphene.

Electrostatic and magnetic fields in bilayer graphene

NASA Astrophysics Data System (ADS)

Jellal, Ahmed; Redouani, Ilham; Bahlouli, Hocine

2015-08-01

We compute the transmission probability through rectangular potential barriers and p-n junctions in the presence of a magnetic and electric fields in bilayer graphene taking into account contributions from the full four bands of the energy spectrum. For energy E higher than the interlayer coupling γ1 (E >γ1) two propagation modes are available for transport giving rise to four possible ways for transmission and reflection coefficients. However, when the energy is less than the height of the barrier the Dirac fermions exhibit transmission resonances and only one mode of propagation is available for transport. We study the effect of the interlayer electrostatic potential denoted by δ and variations of different barrier geometry parameters on the transmission probability.

Isotype InGaN/GaN heterobarrier diodes by ammonia molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fireman, Micha N.; Browne, David A.; Speck, James S.

The design of isotype InGaN/GaN heterobarrier diode structures grown by ammonia molecular beam epitaxy is presented. On the (0001) Ga-polar plane, a structure consisting of a surface n{sup +} GaN contact layer, followed by a thin InGaN layer, followed by a thick unintentionally doped (UID) GaN layer, and atop a buried n{sup +} GaN contact layer induces a large conduction band barrier via a depleted UID GaN layer. Suppression of reverse and subthreshold current in such isotype barrier devices under applied bias depends on the quality of this composite layer polarization. Sample series were grown under fixed InGaN growth conditionsmore » that varied either the UID GaN NH{sub 3} flow rate or the UID GaN thickness, and under fixed UID GaN growth conditions that varied InGaN growth conditions. Decreases in subthreshold current and reverse bias current were measured for thicker UID GaN layers and increasing InGaN growth rates. Temperature-dependent analysis indicated that although extracted barrier heights were lower than those predicted by 1D Schrödinger Poisson simulations (0.9 eV–1.4 eV for In compositions from 10% to 15%), optimized growth conditions increased the extracted barrier height from ∼11% to nearly 85% of the simulated values. Potential subthreshold mechanisms are discussed, along with those growth factors which might affect their prevalence.« less

Electron Excess Doping and Effective Schottky Barrier Reduction on the MoS2/h-BN Heterostructure.

PubMed

Joo, Min-Kyu; Moon, Byoung Hee; Ji, Hyunjin; Han, Gang Hee; Kim, Hyun; Lee, Gwanmu; Lim, Seong Chu; Suh, Dongseok; Lee, Young Hee

2016-10-12

Layered hexagonal boron nitride (h-BN) thin film is a dielectric that surpasses carrier mobility by reducing charge scattering with silicon oxide in diverse electronics formed with graphene and transition metal dichalcogenides. However, the h-BN effect on electron doping concentration and Schottky barrier is little known. Here, we report that use of h-BN thin film as a substrate for monolayer MoS 2 can induce ∼6.5 × 10 11 cm -2 electron doping at room temperature which was determined using theoretical flat band model and interface trap density. The saturated excess electron concentration of MoS 2 on h-BN was found to be ∼5 × 10 13 cm -2 at high temperature and was significantly reduced at low temperature. Further, the inserted h-BN enables us to reduce the Coulombic charge scattering in MoS 2 /h-BN and lower the effective Schottky barrier height by a factor of 3, which gives rise to four times enhanced the field-effect carrier mobility and an emergence of metal-insulator transition at a much lower charge density of ∼1.0 × 10 12 cm -2 (T = 25 K). The reduced effective Schottky barrier height in MoS 2 /h-BN is attributed to the decreased effective work function of MoS 2 arisen from h-BN induced n-doping and the reduced effective metal work function due to dipole moments originated from fixed charges in SiO 2 .

[Diffusion and diffusion-osmosis models of the charged macromolecule transfer in barriers of biosystems].

PubMed

Varakin, A I; Mazur, V V; Arkhipova, N V; Serianov, Iu V

2009-01-01

Mathematical models of the transfer of charged macromolecules have been constructed on the basis of the classical equations of electromigration diffusion of Helmholtz-Smolukhovskii, Goldman, and Goldman-Hodgkin-Katz. It was shown that ion transfer in placental (mimicking lipid-protein barriers) and muscle barriers occurs by different mechanisms. In placental barriers, the electromigration diffusion occurs along lipid-protein channels formed due to the conformational deformation of phospholipid and protein molecules with the coefficients of diffusion D = (2.6-3.6) x 10(-8) cm2/s. The transfer in muscle barriers is due to the migration across charged interfibrillar channels with the negative diffusion activation energy, which is explained by changes in the structure of muscle fibers and expenditures of thermal energy for the extrusion of Cl- from channel walls with the diffusion coefficient D = (6.0-10.0) x 10(-6) cm2/s.

Graphene-insulator-semiconductor capacitors as superior test structures for photoelectric determination of semiconductor devices band diagrams

NASA Astrophysics Data System (ADS)

Piskorski, K.; Passi, V.; Ruhkopf, J.; Lemme, M. C.; Przewlocki, H. M.

2018-05-01

We report on the advantages of using Graphene-Insulator-Semiconductor (GIS) instead of Metal-Insulator-Semiconductor (MIS) structures in reliable and precise photoelectric determination of the band alignment at the semiconductor-insulator interface and of the insulator band gap determination. Due to the high transparency to light of the graphene gate in GIS structures large photocurrents due to emission of both electrons and holes from the substrate and negligible photocurrents due to emission of carriers from the gate can be obtained, which allows reliable determination of barrier heights for both electrons, Ee and holes, Eh from the semiconductor substrate. Knowing the values of both Ee and Eh allows direct determination of the insulator band gap EG(I). Photoelectric measurements were made of a series of Graphene-SiO2-Si structures and an example is shown of the results obtained in sequential measurements of the same structure giving the following barrier height values: Ee = 4.34 ± 0.01 eV and Eh = 4.70 ± 0.03 eV. Based on this result and results obtained for other structures in the series we conservatively estimate the maximum uncertainty of both barrier heights estimations at ± 0.05 eV. This sets the SiO2 band gap estimation at EG(I) = 7.92 ± 0.1 eV. It is shown that widely different SiO2 band gap values were found by research groups using various determination methods. We hypothesize that these differences are due to different sensitivities of measurement methods used to the existence of the SiO2 valence band tail.

Lab Experiments Probe Interactions Between Dilute Pyroclastic Density Currents and 3D Barriers

NASA Astrophysics Data System (ADS)

Fauria, K.; Andrews, B. J.; Manga, M.

2014-12-01

We conducted scaled laboratory experiments of unconfined dilute pyroclastic density currents (PDCs) to examine interactions between three - dimensional obstacles and dilute PDCs. While it is known that PDCs can surmount barriers by converting kinetic energy into potential energy, the signature of topography on PDC dynamics is unclear. To examine the interplay between PDCs and topography, we turbulently suspended heated and ambient-temperature 20 μm talc powder in air within an 8.5 x 6.1 x 2.6 m tank. Experimental parameters (Froude number, densimetric and thermal Richardson number, particle Stokes and Settling numbers) were scaled such that the experimental currents were dynamically similar to natural PCS. The Reynolds number, however, is much smaller than in natural currents, but still large enough for the flows to be turbulent. We placed cylindrical and ridge-like objects in the path of the currents, illuminated the currents with orthogonal laser sheets, and recorded each experiment with high definition cameras. We observed currents surmounting ridge-like barriers (barrier height = current height). Slanted ridges redirected the currents upward and parallel to the upstream face of the ridges (~45° from horizontal). Down stream of the slanted ridges, ambient-temperature currents reattached to the floor. By comparison, hot currents reversed buoyancy and lifted off. These observations suggest that obstacles enhance air entrainment, a process key to affecting runout distance and the depletion of fine particles in ignimbrites. Moreover, we observed vortex shedding in the wake of cylinders. Our experiments demonstrate that barriers of various shapes affect PDC dynamics and can shorten PDC runout distances. Understanding the effects of topography on PDCs is required for interpreting many deposits because processes such as vortex shedding and topographically-induced changes in turbulent length scales and entrainment likely leave depositional signatures.

Extreme storms, sea level rise, and coastal change: implications for infrastructure reliability in the Gulf of Mexico

NASA Astrophysics Data System (ADS)

Anarde, K.; Kameshwar, S.; Irza, N.; Lorenzo-Trueba, J.; Nittrouer, J. A.; Padgett, J.; Bedient, P. B.

2016-12-01

Predicting coastal infrastructure reliability during hurricane events is important for risk-based design and disaster planning, such as delineating viable emergency response routes. Previous research has focused on either infrastructure vulnerability to coastal flooding or the impact of changing sea level and landforms on surge dynamics. Here we investigate the combined impact of sea level, morphology, and coastal flooding on the reliability of highway bridges - the only access points between barrier islands and mainland communities - during future extreme storms. We forward model coastal flooding for static projections of geomorphic change using ADCIRC+SWAN. First-order parameters that are adjusted include sea level and elevation. These are varied for each storm simulation to evaluate relative impact on the reliability of bridges surrounding Freeport, TX. Simulated storms include both synthetic and historical events, which are classified by intensity using the storm's integrated kinetic energy, a metric for surge generation potential. Reliability is estimated through probability of failure - given wave and surge loads - and time inundated. Findings include that: 1) bridge reliability scales inversely with surge height, and 2) sea level rise reduces bridge reliability due to a monotonic increase in surge height. The impact of a shifting landscape on bridge reliability is more complex: barrier island rollback can increase or decrease inundation times for storms of different intensity due to changes in wind-setup and back-barrier bay interactions. Initial storm surge readily inundates the coastal landscape during large intensity storms, however the draining of inland bays following storm passage is significantly impeded by the barrier. From a coastal engineering standpoint, we determine that to protect critical infrastructure, efforts now implemented that nourish low-lying barriers may be enhanced by also armoring back-bay coastlines and elevating bridge approach ramps.

Proton and hydrogen transport through two-dimensional monolayers

NASA Astrophysics Data System (ADS)

Seel, Max; Pandey, Ravindra

2016-06-01

Diffusion of protons and hydrogen atoms in representative two-dimensional materials is investigated. Specifically, density functional calculations were performed on graphene, hexagonal boron nitride (h-BN), phosphorene, silicene, and molybdenum disulfide (MoS2) monolayers to study the surface interaction and penetration barriers for protons and hydrogen atoms employing finite cluster models. The calculated barrier heights correlate approximately with the size of the opening formed by the three-fold open sites in the monolayers considered. They range from 1.56 eV (proton) and 4.61 eV (H) for graphene to 0.12 eV (proton) and 0.20 eV (H) for silicene. The results indicate that only graphene and h-BN monolayers have the potential for membranes with high selective permeability. The MoS2 monolayer behaves differently: protons and H atoms become trapped between the outer S layers in the Mo plane in a well with a depth of 1.56 eV (proton) and 1.5 eV (H atom), possibly explaining why no proton transport was detected, suggesting MoS2 as a hydrogen storage material instead. For graphene and h-BN, off-center proton penetration reduces the barrier to 1.38 eV for graphene and 0.11 eV for h-BN. Furthermore, Pt acting as a substrate was found to have a negligible effect on the barrier height. In defective graphene, the smallest barrier for proton diffusion (1.05 eV) is found for an oxygen-terminated defect. Therefore, it seems more likely that thermal protons can penetrate a monolayer of h-BN but not graphene and defects are necessary to facilitate the proton transport in graphene.

On microseisms recorded near the Ligurian coast (Italy) and their relationship with sea wave height

NASA Astrophysics Data System (ADS)

Ferretti, G.; Zunino, A.; Scafidi, D.; Barani, S.; Spallarossa, D.

2013-07-01

In this study, microseism recordings from a near coast seismic station and concurrent significant sea wave heights (H_{1/3}) are analysed to calibrate an empirical relation for predicting sea wave height in the Ligurian Sea. The study stems from the investigation of the damaging sea storms occurred in the Ligurian Sea between 2008 October and November. Analysing data collected in this time frame allows identification of two types of microseism signal, one associated to the local sea wave motion and one attributable to a remote source area. The former is dominated by frequencies greater than 0.2 Hz and the latter by frequencies between 0.07 and 0.14 Hz. Moreover, comparison of microseism spectrogram and significant sea wave heights reveals a strong correlation in that the spectral energy content of microseism results proportional to the sea wave height observed in the same time window. Hence, an extended data set including also observations from January to December 2011 is used to calibrate an empirical predictive relation for sea wave height whose functional form is a modified version of the classical definition of H_{1/3}. By means of a Markov chain Monte Carlo algorithm we set up a procedure to investigate the inverse problem and to find a set of parameter values for predicting sea wave heights from microseism.

[Tall stature: some classical syndromes].

PubMed

Gusbin, N; Verloes, A; Daly, A; Beckers, A

2006-01-01

We describe the findings of XYY syndrome in the setting of encountering an individual with this particular condition in the endocrinology clinic. XYY syndrome is a relatively frequent if unfamiliar condition, which is characterized by taller than average height. The extra Y chromosome may play a role in determining the height of these individuals. From this case, a differential diagnosis of tall stature is outlined, in addition to a description of the principal syndromes associated with gigantism. These primarily include Klinefelter syndrome, Marfan syndrome, androgen resistance and growth hormone excess. These various entities are described from the point of view of their symptomatology, biology, pathophysiology and therapeutic characteristics.

Super-giant magnetoresistance at room-temperature in copper nanowires due to magnetic field modulation of potential barrier heights at nanowire-contact interfaces

NASA Astrophysics Data System (ADS)

Hossain, Md I.; Maksud, M.; Palapati, N. K. R.; Subramanian, A.; Atulasimha, J.; Bandyopadhyay, S.

2016-07-01

We have observed a super-giant (∼10 000 000%) negative magnetoresistance at 39 mT field in Cu nanowires contacted with Au contact pads. In these nanowires, potential barriers form at the two Cu/Au interfaces because of Cu oxidation that results in an ultrathin copper oxide layer forming between Cu and Au. Current flows when electrons tunnel through, and/or thermionically emit over, these barriers. A magnetic field applied transverse to the direction of current flow along the wire deflects electrons toward one edge of the wire because of the Lorentz force, causing electron accumulation at that edge and depletion at the other. This lowers the potential barrier at the accumulated edge and raises it at the depleted edge, causing a super-giant magnetoresistance at room temperature.

The triaxiality and Coriolis effects on the fission barrier in isovolumic nuclei with mass number A = 256 based on multidimensional total Routhian surface calculations

NASA Astrophysics Data System (ADS)

Chai, Qing-Zhen; Zhao, Wei-Juan; Wang, Hua-Lei; Liu, Min-Liang; Xu, Fu-Rong

2018-05-01

The triaxiality and Coriolis effects on the first fission barrier in even-even nuclei with A=256 have been studied in terms of the approach of multidimensional total Routhian surface calculations. The present results are compared with available data and other theories, showing a good agreement. Based on the deformation energy or Routhian curves, the first fission barriers are analyzed, focusing on their shapes, heights, and evolution with rotation. It is found that, relative to the effect on the ground-state minimum, the saddle point, at least the first one, can be strongly affected by the triaxial deformation degree of freedom and Coriolis force. The evolution trends of the macroscopic and microscopic (shell and pairing) contributions as well as the triaxial fission barriers are briefly discussed.

Super-giant magnetoresistance at room-temperature in copper nanowires due to magnetic field modulation of potential barrier heights at nanowire-contact interfaces.

PubMed

Hossain, Md I; Maksud, M; Palapati, N K R; Subramanian, A; Atulasimha, J; Bandyopadhyay, S

2016-07-29

We have observed a super-giant (∼10 000 000%) negative magnetoresistance at 39 mT field in Cu nanowires contacted with Au contact pads. In these nanowires, potential barriers form at the two Cu/Au interfaces because of Cu oxidation that results in an ultrathin copper oxide layer forming between Cu and Au. Current flows when electrons tunnel through, and/or thermionically emit over, these barriers. A magnetic field applied transverse to the direction of current flow along the wire deflects electrons toward one edge of the wire because of the Lorentz force, causing electron accumulation at that edge and depletion at the other. This lowers the potential barrier at the accumulated edge and raises it at the depleted edge, causing a super-giant magnetoresistance at room temperature.

Band-selective filter in a zigzag graphene nanoribbon.

PubMed

Nakabayashi, Jun; Yamamoto, Daisuke; Kurihara, Susumu

2009-02-13

Electric transport of a zigzag graphene nanoribbon through a steplike potential and a barrier potential is investigated by using the recursive Green's function method. In the case of the steplike potential, we demonstrate numerically that scattering processes obey a selection rule for the band indices when the number of zigzag chains is even; the electrons belonging to the "even" ("odd") bands are scattered only into the even (odd) bands so that the parity of the wave functions is preserved. In the case of the barrier potential, by tuning the barrier height to be an appropriate value, we show that it can work as the "band-selective filter", which transmits electrons selectively with respect to the indices of the bands to which the incident electrons belong. Finally, we suggest that this selection rule can be observed in the conductance by applying two barrier potentials.

Zitterbewegung and symmetry switching in Klein’s four-group

NASA Astrophysics Data System (ADS)

Chotorlishvili, L.; Zięba, P.; Tralle, I.; Ugulava, A.

2018-01-01

Zitterbewegung is the exotic phenomenon associated either with relativistic electron-positron rapid oscillation or to electron-hole transitions in narrow gap semiconductors. In the present work, we enlarge the concept of Zitterbewegung and show that trembling motion may occur due to dramatic changes in the symmetry of the system. In particular, we exploit a paradigmatic model of quantum chaos, the quantum mathematical pendulum (universal Hamiltonian). The symmetry group of this system is Klein’s four-group that possesses three invariant subgroups. The energy spectrum of the system parametrically depends on the height of the potential barrier, and contains degenerate and non-degenerate areas, corresponding to the different symmetry subgroups. Change in the height of the potential barrier switches the symmetry subgroup and leads to trembling motion. We analyzed mean square fluctuations of the velocity operator and observed that trembling is enhanced in highly excited states. We observed a link between the phenomena of trembling motion and the uncertainty relations of noncommutative operators of the system.

Temperature dependent transport characteristics of graphene/n-Si diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parui, S.; Ruiter, R.; Zomer, P. J.

2014-12-28

Realizing an optimal Schottky interface of graphene on Si is challenging, as the electrical transport strongly depends on the graphene quality and the fabrication processes. Such interfaces are of increasing research interest for integration in diverse electronic devices as they are thermally and chemically stable in all environments, unlike standard metal/semiconductor interfaces. We fabricate such interfaces with n-type Si at ambient conditions and find their electrical characteristics to be highly rectifying, with minimal reverse leakage current (<10{sup −10} A) and rectification of more than 10{sup 6}. We extract Schottky barrier height of 0.69 eV for the exfoliated graphene and 0.83 eV for themore » CVD graphene devices at room temperature. The temperature dependent electrical characteristics suggest the influence of inhomogeneities at the graphene/n-Si interface. A quantitative analysis of the inhomogeneity in Schottky barrier heights is presented using the potential fluctuation model proposed by Werner and Güttler.« less

Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. Part I: Accurate Thermochemistry and Barrier Heights

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alecu, I. M.; Truhlar, D. G.

2011-04-07

The reactions of CH 3OH with the HO 2 and CH 3 radicals are important in the combustion of methanol and are prototypes for reactions of heavier alcohols in biofuels. The reaction energies and barrier heights for these reaction systems are computed with CCSD(T) theory extrapolated to the complete basis set limit using correlation-consistent basis sets, both augmented and unaugmented, and further refined by including a fully coupled treatment of the connected triple excitations, a second-order perturbative treatment of quadruple excitations (by CCSDT(2) Q), core–valence corrections, and scalar relativistic effects. It is shown that the M08-HX and M08-SO hybrid meta-GGAmore » density functionals can achieve sub-kcal mol -1 agreement with the high-level ab initio results, identifying these functionals as important potential candidates for direct dynamics studies on the rates of these and homologous reaction systems.« less

On the effect of local barrier height in scanning tunneling microscopy: Measurement methods and control implications

NASA Astrophysics Data System (ADS)

Tajaddodianfar, Farid; Moheimani, S. O. Reza; Owen, James; Randall, John N.

2018-01-01

A common cause of tip-sample crashes in a Scanning Tunneling Microscope (STM) operating in constant current mode is the poor performance of its feedback control system. We show that there is a direct link between the Local Barrier Height (LBH) and robustness of the feedback control loop. A method known as the "gap modulation method" was proposed in the early STM studies for estimating the LBH. We show that the obtained measurements are affected by controller parameters and propose an alternative method which we prove to produce LBH measurements independent of the controller dynamics. We use the obtained LBH estimation to continuously update the gains of a STM proportional-integral (PI) controller and show that while tuning the PI gains, the closed-loop system tolerates larger variations of LBH without experiencing instability. We report experimental results, conducted on two STM scanners, to establish the efficiency of the proposed PI tuning approach. Improved feedback stability is believed to help in avoiding the tip/sample crash in STMs.

Schottky Barrier Height of Pd/MoS2 Contact by Large Area Photoemission Spectroscopy.

PubMed

Dong, Hong; Gong, Cheng; Addou, Rafik; McDonnell, Stephen; Azcatl, Angelica; Qin, Xiaoye; Wang, Weichao; Wang, Weihua; Hinkle, Christopher L; Wallace, Robert M

2017-11-08

MoS 2 , as a model transition metal dichalcogenide, is viewed as a potential channel material in future nanoelectronic and optoelectronic devices. Minimizing the contact resistance of the metal/MoS 2 junction is critical to realizing the potential of MoS 2 -based devices. In this work, the Schottky barrier height (SBH) and the band structure of high work function Pd metal on MoS 2 have been studied by in situ X-ray photoelectron spectroscopy (XPS). The analytical spot diameter of the XPS spectrometer is about 400 μm, and the XPS signal is proportional to the detection area, so the influence of defect-mediated parallel conduction paths on the SBH does not affect the measurement. The charge redistribution by Pd on MoS 2 is detected by XPS characterization, which gives insight into metal contact physics to MoS 2 and suggests that interface engineering is necessary to lower the contact resistance for the future generation electronic applications.

Substrate Vibrations as Promoters of Chemical Reactivity on Metal Surfaces.

PubMed

Campbell, Victoria L; Chen, Nan; Guo, Han; Jackson, Bret; Utz, Arthur L

2015-12-17

Studies exploring how vibrational energy (Evib) promotes chemical reactivity most often focus on molecular reagents, leaving the role of substrate atom motion in heterogeneous interfacial chemistry underexplored. This combined theoretical and experimental study of methane dissociation on Ni(111) shows that lattice atom motion modulates the reaction barrier height during each surface atom's vibrational period, which leads to a strong variation in the reaction probability (S0) with surface temperature (Tsurf). State-resolved beam-surface scattering studies at Tsurf = 90 K show a sharp threshold in S0 at translational energy (Etrans) = 42 kJ/mol. When Etrans decreases from 42 kJ/mol to 34 kJ/mol, S0 decreases 1000-fold at Tsurf = 90 K, but only 2-fold at Tsurf = 475 K. Results highlight the mechanism for this effect, provide benchmarks for DFT calculations, and suggest the potential importance of surface atom induced barrier height modulation in heterogeneously catalyzed reactions, particularly on structurally labile nanoscale particles and defect sites.

Catalytic mechanism of human N-acetylserotonin methyltransferase: a theoretical investigation

NASA Astrophysics Data System (ADS)

Wang, Li; Zhang, Ting; Li, Jieqiong; He, Chaozheng; He, Hongqing; Zhang, Jinglai

2015-11-01

The methyl-transfer mechanism of human N-acetylserotonin methyltransferase and the roles of several residues around the active sites are investigated by density function theory method. This enzyme will catalyse the conversion of N-acetylserotonin and S-adenosyl-L-methionine (SAM) into melatonin and S-asenosylhomocysteine, which is the terminal step in the melatonin (N-acetyl-5-methoxytryptamine) biosynthesis. The calculated results confirm that the methyl transfer and proton transfer will take place via a SN2 step with a concerted mechanism, which is different from the experimental estimation via a water bridge. The residues H255, D256, E311, and R252 play an important role in reducing the barrier height and inducing methyl transfer. In addition, a full SAM molecule is considered in this work, which is never explored in previous reports. We find that some residues around the SAM in the centre of active site are essential factors to influence the mechanism and barrier height. So a truncated SAM model may not be suitable for all reactions.

Stochastic Spiking Neural Networks Enabled by Magnetic Tunnel Junctions: From Nontelegraphic to Telegraphic Switching Regimes

NASA Astrophysics Data System (ADS)

Liyanagedera, Chamika M.; Sengupta, Abhronil; Jaiswal, Akhilesh; Roy, Kaushik

2017-12-01

Stochastic spiking neural networks based on nanoelectronic spin devices can be a possible pathway to achieving "brainlike" compact and energy-efficient cognitive intelligence. The computational model attempt to exploit the intrinsic device stochasticity of nanoelectronic synaptic or neural components to perform learning or inference. However, there has been limited analysis on the scaling effect of stochastic spin devices and its impact on the operation of such stochastic networks at the system level. This work attempts to explore the design space and analyze the performance of nanomagnet-based stochastic neuromorphic computing architectures for magnets with different barrier heights. We illustrate how the underlying network architecture must be modified to account for the random telegraphic switching behavior displayed by magnets with low barrier heights as they are scaled into the superparamagnetic regime. We perform a device-to-system-level analysis on a deep neural-network architecture for a digit-recognition problem on the MNIST data set.

Graphene/h-BN/GaAs sandwich diode as solar cell and photodetector.

PubMed

Li, Xiaoqiang; Lin, Shisheng; Lin, Xing; Xu, Zhijuan; Wang, Peng; Zhang, Shengjiao; Zhong, Huikai; Xu, Wenli; Wu, Zhiqian; Fang, Wei

2016-01-11

In graphene/semiconductor heterojunction, the statistic charge transfer between graphene and semiconductor leads to decreased junction barrier height and limits the Fermi level tuning effect in graphene, which greatly affects the final performance of the device. In this work, we have designed a sandwich diode for solar cells and photodetectors through inserting 2D hexagonal boron nitride (h-BN) into graphene/GaAs heterostructure to suppress the static charge transfer. The barrier height of graphene/GaAs heterojunction can be increased from 0.88 eV to 1.02 eV by inserting h-BN. Based on the enhanced Fermi level tuning effect with interface h-BN, through adopting photo-induced doping into the device, power conversion efficiency (PCE) of 10.18% has been achieved for graphene/h-BN/GaAs compared with 8.63% of graphene/GaAs structure. The performance of graphene/h-BN/GaAs based photodetector is also improved with on/off ratio increased by one magnitude compared with graphene/GaAs structure.

ZnO quantum dot-doped graphene/h-BN/GaN-heterostructure ultraviolet photodetector with extremely high responsivity.

PubMed

Lu, Yanghua; Wu, Zhiqian; Xu, Wenli; Lin, Shisheng

2016-12-02

A ZnO quantum dot  photo-doped graphene/h-BN/GaN-heterostructure ultraviolet photodetector with extremely high responsivity of more than 1915 A W -1 and detectivity of more than 1.02 × 10 13 Jones (Jones = cm Hz 1/2 W -1 ) has been demonstrated. The interfaced h-BN layer increases the barrier height at the graphene/GaN heterojunction, which decreases the dark current and improves the on/off current ratio of the device. The photo-doping effect increases the barrier height and carrier concentration at the graphene/h-BN/GaN heterojunction, thus the responsivity is improved from 1473 A W -1 to 1915 A W -1 and the detectivity is improved from 5.8 × 10 12 to 1.0 × 10 13 Jones. Moreover, all of the responsivity and detectivity values are the highest values among all the graphene-based ultraviolet photodetectors.

Analysis of aging time dependent electrical characteristics of AuCu/n-Si/Ti Schottky type diode

NASA Astrophysics Data System (ADS)

Taser, Ahmet; Şenarslan, Elvan; Güzeldir, Betül; Saǧlam, Mustafa

2017-04-01

The purpose of this study is to fabricate AuCu/n-Si/Ti Schottky type diode and determine the effects of aging time on the diode parameters such as ideality factor, barrier height, series resistance, interface state density and rectification ratio. Gold and copper ratios in the gold-copper alloy used in making the Schottky contact were taken as equal. Schottky barrier contact using AuCu alloy and ohmic contact using Ti metal were made on n-Si by thermal evaporation. The electrical characterization of the AuCu/n-Si/Ti diode was made immediately based on the aging time at room temperature in dark conditions. The I-V measurements were also repeated 1, 7, 15, 30 and 90 days after fabrication of the diode in order to observe the effect of the aging time. The determined values of the ideality factor are in the range of 1,21 (for immediately)-1,075 (for 90 days). In the same way, values of the barrier height are also in the range of 0,566 eV (for immediately)-0,584 eV (for 90 days). From the I-V characteristics, it is seen that the diode appears to have a good rectification character.

Weight gain as a barrier to smoking cessation among military personnel.

PubMed

Russ, C R; Fonseca, V P; Peterson, A L; Blackman, L R; Robbins, A S

2001-01-01

To assess the relationships between active-duty military status, military weight standards, concern about weight gain, and anticipated relapse after smoking cessation. Cross-sectional study. Hospital-based tobacco cessation program. Two hundred fifty-two enrollees, of 253 eligible, to a tobacco cessation program in 1999 (135 men, 117 women; 43% on active duty in the military). Independent variables included gender, body mass index (weight/height2), and military status. Dependent variables included about weight gain with smoking cessation and anticipated relapse. In multivariate regression analyses that controlled for gender and body mass index, active-duty military status was associated with an elevated level of concern about weight gain (1.9-point increase on a 10-point scale; 95% confidence interval [CI], 1.0- to 2.8-point increase), as well as higher anticipated relapse (odds ratio [OR] = 3.6; 95% CI, 1.3 to 9.8). Among subjects who were close to or over the U.S. Air Force maximum allowable weight for height, the analogous OR for active-duty military status was 6.9 (p = .02). Occupational weight standards or expectations may pose additional barriers for individuals contemplating or attempting smoking cessation, as they do among active-duty military personnel. These barriers are likely to hinder efforts to decrease smoking prevalence in certain groups.

Gate tunable spin transport in graphene with Rashba spin-orbit coupling

NASA Astrophysics Data System (ADS)

Tan, Xiao-Dong; Liao, Xiao-Ping; Sun, Litao

2016-10-01

Recently, it attracts much attention to study spin-resolved transport properties in graphene with Rashba spin-orbit coupling (RSOC). One remarkable finding is that Klein tunneling in single layer graphene (SLG) with RSOC (SLG + R for short below) behaves as in bi-layer graphene (BLG). Based on the effective Dirac theory, we reconsider this tunneling problem and derive the analytical solution for the transmission coefficients. Our result shows that Klein tunneling in SLG + R and BLG exhibits completely different behaviors. More importantly, we find two new transmission selection rules in SLG + R, i.e., the single band to single band (S → S) and the single band to multiple bands (S → M) transmission regimes, which strongly depend on the relative height among Fermi level, RSOC, and potential barrier. Interestingly, in the S → S transmission regime, only normally incident electrons have capacity to pass through the barrier, while in the S → M transmission regime the angle-dependent tunneling becomes very prominent. Using the transmission coefficients, we also derive spin-resolved conductance analytically, and conductance oscillation with the increasing barrier height and zero conductance gap are found in SLG + R. The present study offers new insights and opportunities for developing graphene-based spin devices.

New Global Calculation of Nuclear Masses and Fission Barriers for Astrophysical Applications

NASA Astrophysics Data System (ADS)

Möller, P.; Sierk, A. J.; Bengtsson, R.; Ichikawa, T.; Iwamoto, A.

2008-05-01

The FRDM(1992) mass model [1] has an accuracy of 0.669 MeV in the region where its parameters were determined. For the 529 masses that have been measured since, its accuracy is 0.46 MeV, which is encouraging for applications far from stability in astrophysics. We are developing an improved mass model, the FRDM(2008). The improvements in the calculations with respect to the FRDM(1992) are in two main areas. (1) The macroscopic model parameters are better optimized. By simulation (adjusting to a limited set of now known nuclei) we can show that this actually makes the results more reliable in new regions of nuclei. (2) The ground-state deformation parameters are more accurately calculated. We minimize the energy in a four-dimensional deformation space (ɛ2, V3, V4, V6,) using a grid interval of 0.01 in all 4 deformation variables. The (non-finalized) FRDM (2008-a) has an accuracy of 0.596 MeV with respect to the 2003 Audi mass evaluation before triaxial shape degrees of freedom are included (in progress). When triaxiality effects are incorporated preliminary results indicate that the model accuracy will improve further, to about 0.586 MeV. We also discuss very large-scale fission-barrier calculations in the related FRLDM (2002) model, which has been shown to reproduce very satisfactorily known fission properties, for example barrier heights from 70Se to the heaviest elements, multiple fission modes in the Ra region, asymmetry of mass division in fission and the triple-humped structure found in light actinides. In the superheavy region we find barriers consistent with the observed half-lives. We have completed production calculations and obtain barrier heights for 5254 nuclei heavier than A = 170 for all nuclei between the proton and neutron drip lines. The energy is calculated for 5009325 different shapes for each nucleus and the optimum barrier between ground state and separated fragments is determined by use of an ``immersion'' technique.

Rare and low-frequency coding variants alter human adult height.

PubMed

Marouli, Eirini; Graff, Mariaelisa; Medina-Gomez, Carolina; Lo, Ken Sin; Wood, Andrew R; Kjaer, Troels R; Fine, Rebecca S; Lu, Yingchang; Schurmann, Claudia; Highland, Heather M; Rüeger, Sina; Thorleifsson, Gudmar; Justice, Anne E; Lamparter, David; Stirrups, Kathleen E; Turcot, Valérie; Young, Kristin L; Winkler, Thomas W; Esko, Tõnu; Karaderi, Tugce; Locke, Adam E; Masca, Nicholas G D; Ng, Maggie C Y; Mudgal, Poorva; Rivas, Manuel A; Vedantam, Sailaja; Mahajan, Anubha; Guo, Xiuqing; Abecasis, Goncalo; Aben, Katja K; Adair, Linda S; Alam, Dewan S; Albrecht, Eva; Allin, Kristine H; Allison, Matthew; Amouyel, Philippe; Appel, Emil V; Arveiler, Dominique; Asselbergs, Folkert W; Auer, Paul L; Balkau, Beverley; Banas, Bernhard; Bang, Lia E; Benn, Marianne; Bergmann, Sven; Bielak, Lawrence F; Blüher, Matthias; Boeing, Heiner; Boerwinkle, Eric; Böger, Carsten A; Bonnycastle, Lori L; Bork-Jensen, Jette; Bots, Michiel L; Bottinger, Erwin P; Bowden, Donald W; Brandslund, Ivan; Breen, Gerome; Brilliant, Murray H; Broer, Linda; Burt, Amber A; Butterworth, Adam S; Carey, David J; Caulfield, Mark J; Chambers, John C; Chasman, Daniel I; Chen, Yii-Der Ida; Chowdhury, Rajiv; Christensen, Cramer; Chu, Audrey Y; Cocca, Massimiliano; Collins, Francis S; Cook, James P; Corley, Janie; Galbany, Jordi Corominas; Cox, Amanda J; Cuellar-Partida, Gabriel; Danesh, John; Davies, Gail; de Bakker, Paul I W; de Borst, Gert J; de Denus, Simon; de Groot, Mark C H; de Mutsert, Renée; Deary, Ian J; Dedoussis, George; Demerath, Ellen W; den Hollander, Anneke I; Dennis, Joe G; Di Angelantonio, Emanuele; Drenos, Fotios; Du, Mengmeng; Dunning, Alison M; Easton, Douglas F; Ebeling, Tapani; Edwards, Todd L; Ellinor, Patrick T; Elliott, Paul; Evangelou, Evangelos; Farmaki, Aliki-Eleni; Faul, Jessica D; Feitosa, Mary F; Feng, Shuang; Ferrannini, Ele; Ferrario, Marco M; Ferrieres, Jean; Florez, Jose C; Ford, Ian; Fornage, Myriam; Franks, Paul W; Frikke-Schmidt, Ruth; Galesloot, Tessel E; Gan, Wei; Gandin, Ilaria; Gasparini, Paolo; Giedraitis, Vilmantas; Giri, Ayush; Girotto, Giorgia; Gordon, Scott D; Gordon-Larsen, Penny; Gorski, Mathias; Grarup, Niels; Grove, Megan L; Gudnason, Vilmundur; Gustafsson, Stefan; Hansen, Torben; Harris, Kathleen Mullan; Harris, Tamara B; Hattersley, Andrew T; Hayward, Caroline; He, Liang; Heid, Iris M; Heikkilä, Kauko; Helgeland, Øyvind; Hernesniemi, Jussi; Hewitt, Alex W; Hocking, Lynne J; Hollensted, Mette; Holmen, Oddgeir L; Hovingh, G Kees; Howson, Joanna M M; Hoyng, Carel B; Huang, Paul L; Hveem, Kristian; Ikram, M Arfan; Ingelsson, Erik; Jackson, Anne U; Jansson, Jan-Håkan; Jarvik, Gail P; Jensen, Gorm B; Jhun, Min A; Jia, Yucheng; Jiang, Xuejuan; Johansson, Stefan; Jørgensen, Marit E; Jørgensen, Torben; Jousilahti, Pekka; Jukema, J Wouter; Kahali, Bratati; Kahn, René S; Kähönen, Mika; Kamstrup, Pia R; Kanoni, Stavroula; Kaprio, Jaakko; Karaleftheri, Maria; Kardia, Sharon L R; Karpe, Fredrik; Kee, Frank; Keeman, Renske; Kiemeney, Lambertus A; Kitajima, Hidetoshi; Kluivers, Kirsten B; Kocher, Thomas; Komulainen, Pirjo; Kontto, Jukka; Kooner, Jaspal S; Kooperberg, Charles; Kovacs, Peter; Kriebel, Jennifer; Kuivaniemi, Helena; Küry, Sébastien; Kuusisto, Johanna; La Bianca, Martina; Laakso, Markku; Lakka, Timo A; Lange, Ethan M; Lange, Leslie A; Langefeld, Carl D; Langenberg, Claudia; Larson, Eric B; Lee, I-Te; Lehtimäki, Terho; Lewis, Cora E; Li, Huaixing; Li, Jin; Li-Gao, Ruifang; Lin, Honghuang; Lin, Li-An; Lin, Xu; Lind, Lars; Lindström, Jaana; Linneberg, Allan; Liu, Yeheng; Liu, Yongmei; Lophatananon, Artitaya; Luan, Jian'an; Lubitz, Steven A; Lyytikäinen, Leo-Pekka; Mackey, David A; Madden, Pamela A F; Manning, Alisa K; Männistö, Satu; Marenne, Gaëlle; Marten, Jonathan; Martin, Nicholas G; Mazul, Angela L; Meidtner, Karina; Metspalu, Andres; Mitchell, Paul; Mohlke, Karen L; Mook-Kanamori, Dennis O; Morgan, Anna; Morris, Andrew D; Morris, Andrew P; Müller-Nurasyid, Martina; Munroe, Patricia B; Nalls, Mike A; Nauck, Matthias; Nelson, Christopher P; Neville, Matt; Nielsen, Sune F; Nikus, Kjell; Njølstad, Pål R; Nordestgaard, Børge G; Ntalla, Ioanna; O'Connel, Jeffrey R; Oksa, Heikki; Loohuis, Loes M Olde; Ophoff, Roel A; Owen, Katharine R; Packard, Chris J; Padmanabhan, Sandosh; Palmer, Colin N A; Pasterkamp, Gerard; Patel, Aniruddh P; Pattie, Alison; Pedersen, Oluf; Peissig, Peggy L; Peloso, Gina M; Pennell, Craig E; Perola, Markus; Perry, James A; Perry, John R B; Person, Thomas N; Pirie, Ailith; Polasek, Ozren; Posthuma, Danielle; Raitakari, Olli T; Rasheed, Asif; Rauramaa, Rainer; Reilly, Dermot F; Reiner, Alex P; Renström, Frida; Ridker, Paul M; Rioux, John D; Robertson, Neil; Robino, Antonietta; Rolandsson, Olov; Rudan, Igor; Ruth, Katherine S; Saleheen, Danish; Salomaa, Veikko; Samani, Nilesh J; Sandow, Kevin; Sapkota, Yadav; Sattar, Naveed; Schmidt, Marjanka K; Schreiner, Pamela J; Schulze, Matthias B; Scott, Robert A; Segura-Lepe, Marcelo P; Shah, Svati; Sim, Xueling; Sivapalaratnam, Suthesh; Small, Kerrin S; Smith, Albert Vernon; Smith, Jennifer A; Southam, Lorraine; Spector, Timothy D; Speliotes, Elizabeth K; Starr, John M; Steinthorsdottir, Valgerdur; Stringham, Heather M; Stumvoll, Michael; Surendran, Praveen; 't Hart, Leen M; Tansey, Katherine E; Tardif, Jean-Claude; Taylor, Kent D; Teumer, Alexander; Thompson, Deborah J; Thorsteinsdottir, Unnur; Thuesen, Betina H; Tönjes, Anke; Tromp, Gerard; Trompet, Stella; Tsafantakis, Emmanouil; Tuomilehto, Jaakko; Tybjaerg-Hansen, Anne; Tyrer, Jonathan P; Uher, Rudolf; Uitterlinden, André G; Ulivi, Sheila; van der Laan, Sander W; Van Der Leij, Andries R; van Duijn, Cornelia M; van Schoor, Natasja M; van Setten, Jessica; Varbo, Anette; Varga, Tibor V; Varma, Rohit; Edwards, Digna R Velez; Vermeulen, Sita H; Vestergaard, Henrik; Vitart, Veronique; Vogt, Thomas F; Vozzi, Diego; Walker, Mark; Wang, Feijie; Wang, Carol A; Wang, Shuai; Wang, Yiqin; Wareham, Nicholas J; Warren, Helen R; Wessel, Jennifer; Willems, Sara M; Wilson, James G; Witte, Daniel R; Woods, Michael O; Wu, Ying; Yaghootkar, Hanieh; Yao, Jie; Yao, Pang; Yerges-Armstrong, Laura M; Young, Robin; Zeggini, Eleftheria; Zhan, Xiaowei; Zhang, Weihua; Zhao, Jing Hua; Zhao, Wei; Zhao, Wei; Zheng, He; Zhou, Wei; Rotter, Jerome I; Boehnke, Michael; Kathiresan, Sekar; McCarthy, Mark I; Willer, Cristen J; Stefansson, Kari; Borecki, Ingrid B; Liu, Dajiang J; North, Kari E; Heard-Costa, Nancy L; Pers, Tune H; Lindgren, Cecilia M; Oxvig, Claus; Kutalik, Zoltán; Rivadeneira, Fernando; Loos, Ruth J F; Frayling, Timothy M; Hirschhorn, Joel N; Deloukas, Panos; Lettre, Guillaume

2017-02-09

Height is a highly heritable, classic polygenic trait with approximately 700 common associated variants identified through genome-wide association studies so far. Here, we report 83 height-associated coding variants with lower minor-allele frequencies (in the range of 0.1-4.8%) and effects of up to 2 centimetres per allele (such as those in IHH, STC2, AR and CRISPLD2), greater than ten times the average effect of common variants. In functional follow-up studies, rare height-increasing alleles of STC2 (giving an increase of 1-2 centimetres per allele) compromised proteolytic inhibition of PAPP-A and increased cleavage of IGFBP-4 in vitro, resulting in higher bioavailability of insulin-like growth factors. These 83 height-associated variants overlap genes that are mutated in monogenic growth disorders and highlight new biological candidates (such as ADAMTS3, IL11RA and NOX4) and pathways (such as proteoglycan and glycosaminoglycan synthesis) involved in growth. Our results demonstrate that sufficiently large sample sizes can uncover rare and low-frequency variants of moderate-to-large effect associated with polygenic human phenotypes, and that these variants implicate relevant genes and pathways.

On the role of the termolecular reactions 2O2 + H2 → 2HO2 and 2O2 + H2 → H + HO2 + O2 in formation of the first radicals in hydrogen combustion: ab initio predictions of energy barriers.

PubMed

Monge-Palacios, M; Rafatijo, Homayoon

2017-01-18

We have investigated the role of termolecular reactions in the early chemistry of hydrogen combustion. We performed molecular chemical dynamics simulations using ReaxFF in LAMMPS to identify potential initial reactions for a 1 : 4 mixture of H 2  : O 2 in the NVT ensemble at density 276.3 kg m -3 and ∼3000 K (∼4000 atm) and ∼4000 K (∼5000 atm), and then characterized the saddle points for those reactions using ab initio methods: CCSD(T) = FC/cc-pVTZ//MP2/6-31G, CCSD(T) = FULL/aug-cc-pVTZ//CCSD = FC/cc-pVTZ and CASSCF MP2/6-31G//MP2/6-31G. The main initial reaction is H 2 + O 2 → H + HO 2 , frequently occurring in the presence of a second O 2 as a third body; that is, 2O 2 + H 2 → H + HO 2 + O 2 . The second most frequent reaction is 2O 2 + H 2 → 2HO 2 . We found three saddle points on the triplet PES of these termolecular reactions: one for 2O 2 + H 2 → H + HO 2 + O 2 and two for 2O 2 + H 2 → 2HO 2 . In the latter case, one has a symmetric structure consistent with simultaneous formation of two HO 2 and the other corresponds to a bimolecular reaction between O 2 and H 2 that is "interrupted" by a second O 2 before going to completion. The classical barrier height of the symmetric saddle point for 2O 2 + H 2 → 2HO 2 is 49.8 kcal mol -1 . The barrier to H 2 + O 2 → H + HO 2 is 58.9 kcal mol -1 . The termolecular reaction will be competitive with H 2 + O 2 → H + HO 2 only at sufficiently high pressures.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, James B.

We report the third in a series of ’exact’ quantum Monte Carlo calculations for the potential energy of the saddle point of the barrier for the reaction H + H{sub 2} → H{sub 2} + H. The barrier heights determined are 9.61 ± 0.01 in 1992/94, 9.608 ± 0.001 in 2003, and 9.6089 ± 0.0001 in 2016 (this work), all in kcal/mole and successively a factor of ten more accurate. The new value is below the lowest value from explicitly correlated Gaussian calculations and within the estimated limits of extrapolated multireference configuration calculations.

Energy band and transport properties in magnetic aperiodic graphene superlattices of Thue-Morse sequence

NASA Astrophysics Data System (ADS)

Yin, Yiheng; Niu, Yanxiong; Zhang, Huiyun; Zhang, Yuping; Liu, Haiyue

2016-02-01

Utilizing the transfer matrix method, we develop the electronic band structure and transport properties in Thue-Morse aperiodic graphene superlattices with magnetic barriers. It is found that the normal transmission is blocked and the position of the Dirac point can be shifted along the wavevector axis by changing the height and width ratio of magnetic barriers, which is intrinsic different from electronic field modulated superlattices. In addition, the angular threshold property of the transmission spectra and the oscillatory property of the conductance have been studied.

Height-Based Indices of Pubertal Timing in Male Adolescents

ERIC Educational Resources Information Center

Khairullah, Ammar; May, Margaret T.; Tilling, Kate; Howe, Laura D.; Leonard, Gabriel; Perrond, Michel; Richer, Louis; Veillette, Suzanne; Pausova, Zdenka; Paus, Tomáš

2013-01-01

It is important to account for timing of puberty when studying the adolescent brain and cognition. The use of classical methods for assessing pubertal status may not be feasible in some studies, especially in male adolescents. Using data from a sample of 478 males from a longitudinal birth cohort, we describe the calculations of three independent…

Extent of height variability explained by known height-associated genetic variants in an isolated population of the Adriatic coast of Croatia.

PubMed

Zhang, Ge; Karns, Rebekah; Sun, Guangyun; Indugula, Subba Rao; Cheng, Hong; Havas-Augustin, Dubravka; Novokmet, Natalija; Rudan, Dusko; Durakovic, Zijad; Missoni, Sasa; Chakraborty, Ranajit; Rudan, Pavao; Deka, Ranjan

2011-01-01

Human height is a classical example of a polygenic quantitative trait. Recent large-scale genome-wide association studies (GWAS) have identified more than 200 height-associated loci, though these variants explain only 2∼10% of overall variability of normal height. The objective of this study was to investigate the variance explained by these loci in a relatively isolated population of European descent with limited admixture and homogeneous genetic background from the Adriatic coast of Croatia. In a sample of 1304 individuals from the island population of Hvar, Croatia, we performed genome-wide SNP typing and assessed the variance explained by genetic scores constructed from different panels of height-associated SNPs extracted from five published studies. The combined information of the 180 SNPs reported by Lango Allen el al. explained 7.94% of phenotypic variation in our sample. Genetic scores based on 20~50 SNPs reported by the remaining individual GWA studies explained 3~5% of height variance. These percentages of variance explained were within ranges comparable to the original studies and heterogeneity tests did not detect significant differences in effect size estimates between our study and the original reports, if the estimates were obtained from populations of European descent. We have evaluated the portability of height-associated loci and the overall fitting of estimated effect sizes reported in large cohorts to an isolated population. We found proportions of explained height variability were comparable to multiple reference GWAS in cohorts of European descent. These results indicate similar genetic architecture and comparable effect sizes of height loci among populations of European descent. © 2011 Zhang et al.

Effects of monochromatic light on mucosal mechanical and immunological barriers in the small intestine of broilers.

PubMed

Xie, D; Li, J; Wang, Z X; Cao, J; Li, T T; Chen, J L; Chen, Y X

2011-12-01

Our previous studies demonstrated that green and blue monochromatic lights were effective to stimulate immune response of the spleen in broilers. This study was designed to investigate the effects of monochromatic light on both gut mucosal mechanical and immunological barriers. A total of 120 Arbor Acre male broilers on post-hatching day (P) 0 were exposed to red light, green light (GL), blue light (BL), and white light (WL) for 49 d, respectively. As compared with broilers exposed to WL, the broilers exposed to GL showed that the villus height of small intestine was increased by 19.5% (P = 0.0205) and 38.8% (P = 0.0149), the crypt depth of small intestine was decreased by 15.1% (P = 0.0049) and 10.1% (P = 0.0005), and the ratios of villus height to crypt depth were increased by 39.3% (P < 0.0001) and 52.5% (P < 0.0001) at P7 and P21, respectively. Until P49, an increased villus height (33.6%, P = 0.0076), a decreased crypt depth (15.4%, P = 0.0201), and an increased villus height-to-crypt depth ratio (58.5%, P < 0.0001) were observed in the BL group as compared with the WL group. On the other hand, the numbers of intestinal intraepithelial lymphocytes (27.9%, P < 0.0001 and 37.0%, P < 0.0001), goblet cells (GC, 22.1%, P < 0.0001 and 18.1%, P < 0.0001), and IgA(+) cells (14.8%, P = 0.0543 and 47.9%, P = 0.0377) in the small intestine were significantly increased in the GL group as compared with the WL group at P7 and P21, respectively. The numbers of intestinal intraepithelial lymphocytes (36.2%, P < 0.0001), GC (26.5%, P < 0.0001), and IgA(+) cells (68.0%, P = 0.0177) in the BL group were also higher than those in the WL group at P49. These results suggest that both mucosal mechanical and immunological barriers of the small intestine may be improved by rearing broilers under GL at an early age and under BL at an older age.

Testicular adrenal rest tumors develop independently of long-term disease control: a longitudinal analysis of 50 adult men with congenital adrenal hyperplasia due to classic 21-hydroxylase deficiency.

PubMed

Reisch, Nicole; Rottenkolber, Marietta; Greifenstein, Anais; Krone, Nils; Schmidt, Heinrich; Reincke, Martin; Schwarz, Hans-Peter; Beuschlein, Felix

2013-11-01

Testicular adrenal rest tumors (TARTs) and hypogonadotropic hypogonadism are the two most common causes for male infertility in classic 21-hydroxylase deficiency. Current hypotheses suggest the quality of disease control to be one of the main pathogenic factors for TART development. The aim was to study long-term predictors for TART development in a retrospective longitudinal study. Fifty men with classic 21-hydroxylase deficiency (31 salt wasting, 19 simple virilizing) were investigated. Testicular ultrasound at a median age at investigation of 27 years detected TARTs in 28 of 50 subjects (19 salt wasting, 9 simple virilizing). TART presence was correlated with long-term parameters of disease control during childhood and adolescence obtained from patients' charts: 24-hour urine pregnanetriol, serum 17-hydroxyprogesterone, onset and stage of pubic hair development, testicular growth, and bone age in relation to chronological age. There was no difference in pregnanetriol excretion over lifetime between patients with and without TARTs. Similarly, neither development of pubic hair and testicular volume (Tanner) nor bone age in relation to chronological age differed between the two groups. Furthermore, the two groups had the same body mass index and the same impairment of final height in relation to midparental target height. Our longitudinal analysis demonstrates no association between TART presence and parameters of disease control. These data, therefore, argue for other mechanisms more relevant for TART induction including those occurring during fetal development.

Trajectories and traversal times in quantum tunneling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Zhi Hong.

1989-01-01

The classical concepts of trajectories and traversal times applied to quantum tunneling are discussed. By using the Wentzel-Kramers-Brillouin approximation, it is found that in a forbidden region of a multidimensional space the wave function can be described by two sets of trajectories, or equivalently by two sets of wave fronts. The trajectories belonging to different sets are mutually orthogonal. An extended Huygens construction is proposed to determine these wave fronts and trajectories. In contrast to the classical results in the allowed region, these trajectories couple to each other. However, if the incident wave is normal to the turning surface, themore » trajectories are found to be independent and can be determined by Newton's equations of motion with inverted potential and energy. The multidimensional tunneling theory is then applied to the scanning tunneling microscope to calculate the current density distribution and to derive the expressions for the lateral resolution and the surface corrugation amplitude. The traversal time in quantum tunneling, i.e. tunneling time, is found to depend on model calculations and simulations. Computer simulation of a wave packet tunneling through a square barrier is performed. Several approaches, including the phase method, Larmor clock, and time-dependent barrier model, are investigated. For a square barrier, two characteristic times are found: One is equal to the barrier width divided by the magnitude of the imaginary velocity; the other is equal to the decay length divided by the incident velocity. It is believed that the tunneling time can only be defined operationally.« less

Determination of minimum height and lateral design load for MASH test level 4 bridge rails.

DOT National Transportation Integrated Search

2011-12-01

The Manual for Assessing Safety Hardware (MASH) prescribes higher design vehicle impact speed and mass for test level 4 barriers compared to its predecessor National Cooperative Highway Research Program (NCHRP) Report 350. This has resulted in a 56 p...

Simple improvements to classical bubble nucleation models.

PubMed

Tanaka, Kyoko K; Tanaka, Hidekazu; Angélil, Raymond; Diemand, Jürg

2015-08-01

We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a correct prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by Tolman, the precise evaluations of the free energy barriers suggest the Tolman length is ≃0.3σ independently of the temperature for argon bubble nucleation, where σ is the unit length of the Lennard-Jones potential. With this Tolman correction and our prefactor one gets accurate bubble nucleation rate predictions in the parameter range probed by current experiments and molecular dynamics simulations.

Double Barriers and Magnetic Field in Bilayer Graphene

NASA Astrophysics Data System (ADS)

Redouani, Ilham; Jellal, Ahmed; Bahlouli, Hocine

2015-12-01

We study the transmission probability in an AB-stacked bilayer graphene of Dirac fermions scattered by a double-barrier structure in the presence of a magnetic field. We take into account the full four bands structure of the energy spectrum and use the suitable boundary conditions to determine the transmission probability. Our numerical results show that for energies higher than the interlayer coupling, four ways for transmission are possible while for energies less than the height of the barrier, Dirac fermions exhibit transmission resonances and only one transmission channel is available. We show that, for AB-stacked bilayer graphene, there is no Klein tunneling at normal incidence. We find that the transmission displays sharp peaks inside the transmission gap around the Dirac point within the barrier regions while they are absent around the Dirac point in the well region. The effect of the magnetic field, interlayer electrostatic potential, and various barrier geometry parameters on the transmission probabilities is also discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, G.D.; Bharadwaj, R.K.

The molecular geometries and conformational energies of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 1,3-dimethyl-1,3-dinitro methyldiamine (DDMD) and have been determined from high-level quantum chemistry calculations and have been used in parametrizing a classical potential function for simulations of HMX. Geometry optimizations for HMX and DDMD and rotational energy barrier searches for DDMD were performed at the B3LYP/6-311G** level, with subsequent single-point energy calculations at the MP2/6-311G** level. Four unique low-energy conformers were found for HMX, two whose conformational geometries correspond closely to those found in HMX polymorphs from crystallographic studies and two additional, lower energy conformers that are not seen in the crystallinemore » phases. For DDMD, three unique low-energy conformers, and the rotational energy barriers between them, were located. In parametrizing the classical potential function for HMX, nonbonded repulsion/dispersion parameters, valence parameters, and parameters describing nitro group rotation and out-of-plane distortion at the amine nitrogen were taken from the previous studies of dimethylnitramine. Polar effects in HMX and DDMD were represented by sets of partial atomic charges that reproduce the electrostatic potential and dipole moments for the low-energy conformers of these molecules as determined from the quantum chemistry wave functions. Parameters describing conformational energetics for the C-N-C-N dihedrals were determined by fitting the classical potential function to reproduce relative conformational energies in HMX as found from quantum chemistry. The resulting potential was found to give a good representation of the conformer geometries and relative conformer energies in HMX and a reasonable description of the low-energy conformers and rotational energy barriers in DDMD.« less

Debris flow impact estimation on a rigid barrier

NASA Astrophysics Data System (ADS)

Vagnon, Federico; Segalini, Andrea

2016-07-01

The aim of this paper is to analyse debris flow impact against rigid and undrained barrier in order to propose a new formulation for the estimation of acting force after the flow impact to safe design protection structures. For this reason, this work concentrates on the flow impact, by performing a series of small scale tests in a specifically created flume. Flow characteristics (flow height and velocity) and applied loads (dynamic and static) on barrier were measured using four ultrasonic devices, four load cells and a contact surface pressure gauge. The results obtained were compared with main existing models and a new equation is proposed. Furthermore, a brief review of the small scale theory was provided to analyse the scale effects that can affect the results.

Nonaxial hexadecapole deformation effects on the fission barrier

NASA Astrophysics Data System (ADS)

Kardan, A.; Nejati, S.

2016-06-01

Fission barrier of the heavy nucleus 250Cf is analyzed in a multi-dimensional deformation space. This space includes two quadrupole (ɛ2,γ) and three hexadecapole deformation (ɛ40,ɛ42,ɛ44) parameters. The analysis is performed within an unpaired macroscopic-microscopic approach. Special attention is given to the effects of the axial and non-axial hexadecapole deformation shapes. It is found that the inclusion of the nonaxial hexadecapole shapes does not change the fission barrier heights, so it should be sufficient to minimize the energy in only one degree of freedom in the hexadecapole space ɛ4. The role of hexadecapole deformation parameters is also discussed on the Lublin-Strasbourg drop (LSD) macroscopic and the Strutinsky shell energies.

Tunneling rates in electron transport through double-barrier molecular junctions in a scanning tunneling microscope

PubMed Central

Nazin, G. V.; Wu, S. W.; Ho, W.

2005-01-01

The scanning tunneling microscope enables atomic-scale measurements of electron transport through individual molecules. Copper phthalocyanine and magnesium porphine molecules adsorbed on a thin oxide film grown on the NiAl(110) surface were probed. The single-molecule junctions contained two tunneling barriers, vacuum gap, and oxide film. Differential conductance spectroscopy shows that electron transport occurs via vibronic states of the molecules. The intensity of spectral peaks corresponding to the individual vibronic states depends on the relative electron tunneling rates through the two barriers of the junction, as found by varying the vacuum gap tunneling rate by changing the height of the scanning tunneling microscope tip above the molecule. A simple, sequential tunneling model explains the observed trends. PMID:15956189

Tunneling rates in electron transport through double-barrier molecular junctions in a scanning tunneling microscope.

PubMed

Nazin, G V; Wu, S W; Ho, W

2005-06-21

The scanning tunneling microscope enables atomic-scale measurements of electron transport through individual molecules. Copper phthalocyanine and magnesium porphine molecules adsorbed on a thin oxide film grown on the NiAl(110) surface were probed. The single-molecule junctions contained two tunneling barriers, vacuum gap, and oxide film. Differential conductance spectroscopy shows that electron transport occurs via vibronic states of the molecules. The intensity of spectral peaks corresponding to the individual vibronic states depends on the relative electron tunneling rates through the two barriers of the junction, as found by varying the vacuum gap tunneling rate by changing the height of the scanning tunneling microscope tip above the molecule. A simple, sequential tunneling model explains the observed trends.

Modulating emission intensity of GaN-based green light emitting diodes on c-plane sapphire

DOE Office of Scientific and Technical Information (OSTI.GOV)

Du, Chunhua; Ma, Ziguang; Zhou, Junming

2014-04-14

The asymmetric dual-wavelength (green/blue) coupled InGaN/GaN multiple quantum wells were proposed to modulate the green emission intensity. Electroluminescent measurements demonstrate the conspicuous increment of the green light intensity by decreasing the coupled barrier thickness. This was partly attributed to capture of more carriers when holes tunnel across the thinner barrier from the blue quantum wells, as a hole reservoir, to the green quantum wells. While lower effective barrier height of the blue quantum wells benefits improved hole transportation from p-GaN to the active region. Efficiency droop of the green quantum wells was partially alleviated due to the enhanced injection efficiencymore » of holes.« less

Performance of RF sputtered p-Si/n-ZnO nanoparticle thin film heterojunction diodes in high temperature environment

NASA Astrophysics Data System (ADS)

Singh, Satyendra Kumar; Hazra, Purnima

2017-04-01

In this article, temperature-dependent current-voltage characteristics of n-ZnO/p-Si nanoparticle thin film heterojunction diode grown by RF sputtering technique are analyzed in the temperature range of 300-433 k to investigate the performance of the device in high temperature environment. The microstructural, morphological, optical and temptrature dependent electrical properties of as-grown nanoparticle thin film were characterized by X-ray diffractometer (XRD), atomic force microscopy (AFM), field emmision scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDX), variable angle ellipsometer and semiconductor device analyzer. XRD spectra of as-grown ZnO films are exhibited that highly c-axis oriented ZnO nanostructures are grown on p- Si〈100〉 substrate whereas AFM and FESEM images confirm the homogeneous deposition of ZnO nanoparticles on surface of Si substratewith minimum roughness.The optical propertiesof as-grown ZnO nanoparticles have been measured in the spectral range of 300-800 nm using variable angle ellipsometer.To measure electrical parameters of the device prototype in the temperature range of room temperature (300 K) to 433 K, large area ohmic contacts were fabricated on both side of the ZnO/Si heterostructure. From the current-voltage charcteristics of ZnO/Si heterojunction device, it is observed that the device exhibits rectifing nature at room temperature. However, with increase in temperature, reverse saturation current and barrier height are found to increase, whereas ideality factor is started decreasing. This phenomenon confirms that barrier inhomogeneities are present at the interface of ZnO/Si heterojunction, as a result of lattice constant and thermal coefficient mismatch between Si and ZnO. Therefore, a modified value of Richardson constant [33.06 Acm-2K-2] has been extracted from the temperature-dependent electrical characteristics after assuming the Gaussian distribution of special barrier height inhomogeneities across the Si/ZnO interface which is close to its theoretical value [32 Acm-2K-2]. This result indicates that regardless of presence of barrier height inmogeneities, ZnO/Si heterojunction diode still hasability to perform well in high temperature environment.

Metal-semiconductor barrier modulation for high photoresponse in transition metal dichalcogenide field effect transistors.

PubMed

Li, Hua-Min; Lee, Dae-Yeong; Choi, Min Sup; Qu, Deshun; Liu, Xiaochi; Ra, Chang-Ho; Yoo, Won Jong

2014-02-10

A gate-controlled metal-semiconductor barrier modulation and its effect on carrier transport were investigated in two-dimensional (2D) transition metal dichalcogenide (TMDC) field effect transistors (FETs). A strong photoresponse was observed in both unipolar MoS2 and ambipolar WSe2 FETs (i) at the high drain voltage due to a high electric field along the channel for separating photo-excited charge carriers and (ii) at the certain gate voltage due to the optimized barriers for the collection of photo-excited charge carriers at metal contacts. The effective barrier height between Ti/Au and TMDCs was estimated by a low temperature measurement. An ohmic contact behavior and drain-induced barrier lowering (DIBL) were clearly observed in MoS2 FET. In contrast, a Schottky-to-ohmic contact transition was observed in WSe2 FET as the gate voltage increases, due to the change of majority carrier transport from holes to electrons. The gate-dependent barrier modulation effectively controls the carrier transport, demonstrating its great potential in 2D TMDCs for electronic and optoelectronic applications.

Classical mapping for Hubbard operators: Application to the double-Anderson model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Bin; Miller, William H.; Levy, Tal J.

A classical Cartesian mapping for Hubbard operators is developed to describe the nonequilibrium transport of an open quantum system with many electrons. The mapping of the Hubbard operators representing the many-body Hamiltonian is derived by using analogies from classical mappings of boson creation and annihilation operators vis-à-vis a coherent state representation. The approach provides qualitative results for a double quantum dot array (double Anderson impurity model) coupled to fermionic leads for a range of bias voltages, Coulomb couplings, and hopping terms. While the width and height of the conduction peaks show deviations from the master equation approach considered to bemore » accurate in the limit of weak system-leads couplings and high temperatures, the Hubbard mapping captures all transport channels involving transition between many electron states, some of which are not captured by approximate nonequilibrium Green function closures.« less

Influence of in doping in GaN barriers on luminescence properties of InGaN/GaN multiple quantum well LEDs

NASA Astrophysics Data System (ADS)

Wang, Xiaowei; Yang, Jing; Zhao, Degang; Jiang, Desheng; Liu, Zongshun; Liu, Wei; Liang, Feng; Liu, Shuangtao; Xing, Yao; Wang, Wenjie; Li, Mo

2018-02-01

Room-temperature photoluminescence (RT PL) spectra of InGaN/GaN multiple quantum well (MQW) structures grown by metalorganic chemical vapor deposition (MOCVD) was investigated. It is found that with increasing In content in GaN barriers, the FWHM and emission intensity decreases, and the emission wavelength is first red shift and then blue shift. The shrinkage of FWHM and emission wavelength blue shift can be attributed to the reduction of piezoelectric field, and the lower height of potential barrier will make carrier confinement weaker and ground state level lower, which resulting in emission intensity decreasing and wavelength red shift. In addition, doping the barrier with In will induce more inhomogeneous and deeper localized states in InGaN QWs, which also contribute to a red shift of PL emission wavelength.

Planar edge Schottky barrier-tunneling transistors using epitaxial graphene/SiC junctions.

PubMed

Kunc, Jan; Hu, Yike; Palmer, James; Guo, Zelei; Hankinson, John; Gamal, Salah H; Berger, Claire; de Heer, Walt A

2014-09-10

A purely planar graphene/SiC field effect transistor is presented here. The horizontal current flow over one-dimensional tunneling barrier between planar graphene contact and coplanar two-dimensional SiC channel exhibits superior on/off ratio compared to conventional transistors employing vertical electron transport. Multilayer epitaxial graphene (MEG) grown on SiC(0001̅) was adopted as the transistor source and drain. The channel is formed by the accumulation layer at the interface of semi-insulating SiC and a surface silicate that forms after high vacuum high temperature annealing. Electronic bands between the graphene edge and SiC accumulation layer form a thin Schottky barrier, which is dominated by tunneling at low temperatures. A thermionic emission prevails over tunneling at high temperatures. We show that neglecting tunneling effectively causes the temperature dependence of the Schottky barrier height. The channel can support current densities up to 35 A/m.

Doubly charged coronene clusters—Much smaller than previously observed

NASA Astrophysics Data System (ADS)

Mahmoodi-Darian, Masoomeh; Raggl, Stefan; Renzler, Michael; Goulart, Marcelo; Huber, Stefan E.; Mauracher, Andreas; Scheier, Paul; Echt, Olof

2018-05-01

The smallest doubly charged coronene cluster ions reported so far, Cor152+, were produced by charge exchange between bare coronene clusters and He2+ [H. A. B. Johansson et al., Phys. Rev. A 84, 043201 (2011)]. These dications are at least five times larger than the estimated Rayleigh limit, i.e., the size at which the activation barrier for charge separation vanishes. Such a large discrepancy is unheard of for doubly charged atomic or molecular clusters. Here we report the mass spectrometric observation of doubly charged coronene trimers, produced by electron ionization of helium nanodroplets doped with coronene. The observation implies that Cor32+ features a non-zero fission barrier too large to overcome under the present experimental conditions. The height of the barriers for the dimer and trimer has been estimated by means of density functional theory calculations. A sizeable barrier for the trimer has been revealed in agreement with the experimental findings.

Barrier scattering with complex-valued quantum trajectories: Taxonomy and analysis of isochrones

DOE Office of Scientific and Technical Information (OSTI.GOV)

David, Julianne K.; Wyatt, Robert E.

2008-03-07

To facilitate the search for isochrones when using complex-valued trajectory methods for quantum barrier scattering calculations, the structure and shape of isochrones in the complex plane were studied. Isochrone segments were categorized based on their distinguishing features, which are shared by each situation studied: High and low energy wave packets, scattering from both thick and thin Gaussian and Eckart barriers of varying height. The characteristic shape of the isochrone is a trifurcated system: Trajectories that transmit the barrier are launched from the lower branch (T), while the middle and upper branches form the segments for reflected trajectories (F and B).more » In addition, a model is presented for the curved section of the lower branch (from which transmitted trajectories are launched), and important features of the complex extension of the initial wave packet are identified.« less

Multi-barrier field-emission behavior in PBTTT thin films at low temperatures

PubMed Central

Kang, Evan S. H.; Kim, Eunseong

2015-01-01

We investigated the low-temperature transport mechanism for poly[2,5-bis(3-alkylthiophen-2-yl)thieno(3,2-b)thiophene] (PBTTT). The temperature-dependent transport behavior was studied by varying the drain–source electric field and gate bias. The results suggest that low-temperature charge transport is dominated by direct tunneling at low electric fields, while field emission is prevailing for high electric fields with high carrier densities. However, the obtained barrier heights are remarkably greater than expected in a conventional field emission. We propose a simplified model of field emission through quasi-one-dimensional path with multiple barriers which shows good agreement with the results more clearly. Field emission across the domain boundaries may assist in overcoming the transport barriers induced by the interchain disorder, which results in the weak temperature dependence of conductivities and nonlinear current–voltage relation at low temperatures. PMID:25670532

Graphene barristor, a triode device with a gate-controlled Schottky barrier.

PubMed

Yang, Heejun; Heo, Jinseong; Park, Seongjun; Song, Hyun Jae; Seo, David H; Byun, Kyung-Eun; Kim, Philip; Yoo, InKyeong; Chung, Hyun-Jong; Kim, Kinam

2012-06-01

Despite several years of research into graphene electronics, sufficient on/off current ratio I(on)/I(off) in graphene transistors with conventional device structures has been impossible to obtain. We report on a three-terminal active device, a graphene variable-barrier "barristor" (GB), in which the key is an atomically sharp interface between graphene and hydrogenated silicon. Large modulation on the device current (on/off ratio of 10(5)) is achieved by adjusting the gate voltage to control the graphene-silicon Schottky barrier. The absence of Fermi-level pinning at the interface allows the barrier's height to be tuned to 0.2 electron volt by adjusting graphene's work function, which results in large shifts of diode threshold voltages. Fabricating GBs on respective 150-mm wafers and combining complementary p- and n-type GBs, we demonstrate inverter and half-adder logic circuits.

Transient Intervals of Hyper-Gravity Enhance Endothelial Barrier Integrity: Impact of Mechanical and Gravitational Forces Measured Electrically

PubMed Central

Szulcek, Robert; van Bezu, Jan; Boonstra, Johannes; van Loon, Jack J. W. A.; van Nieuw Amerongen, Geerten P.

2015-01-01

Background Endothelial cells (EC) guard vascular functions by forming a dynamic barrier throughout the vascular system that sensitively adapts to ‘classical’ biomechanical forces, such as fluid shear stress and hydrostatic pressure. Alterations in gravitational forces might similarly affect EC integrity, but remain insufficiently studied. Methods In an unique approach, we utilized Electric Cell-substrate Impedance Sensing (ECIS) in the gravity-simulators at the European Space Agency (ESA) to study dynamic responses of human EC to simulated micro- and hyper-gravity as well as to classical forces. Results Short intervals of micro- or hyper-gravity evoked distinct endothelial responses. Stimulated micro-gravity led to decreased endothelial barrier integrity, whereas hyper-gravity caused sustained barrier enhancement by rapid improvement of cell-cell integrity, evidenced by a significant junctional accumulation of VE-cadherin (p = 0.011), significant enforcement of peripheral F-actin (p = 0.008) and accompanied by a slower enhancement of cell-matrix interactions. The hyper-gravity triggered EC responses were force dependent and nitric-oxide (NO) mediated showing a maximal resistance increase of 29.2±4.8 ohms at 2g and 60.9±6.2 ohms at 4g vs. baseline values that was significantly suppressed by NO blockage (p = 0.011). Conclusion In conclusion, short-term application of hyper-gravity caused a sustained improvement of endothelial barrier integrity, whereas simulated micro-gravity weakened the endothelium. In clear contrast, classical forces of shear stress and hydrostatic pressure induced either short-lived or no changes to the EC barrier. Here, ECIS has proven a powerful tool to characterize subtle and distinct EC gravity-responses due to its high temporal resolution, wherefore ECIS has a great potential for the study of gravity-responses such as in real space flights providing quantitative assessment of a variety of cell biological characteristics of any adherent growing cell type in an automated and continuous fashion. PMID:26637177

Systematic analysis of hot Yb* isotopes using the energy density formalism

NASA Astrophysics Data System (ADS)

Jain, Deepika; Sharma, Manoj K.; Rajni; Kumar, Raj; Gupta, Raj K.

2014-10-01

A systematic study of the spin-orbit density interaction potential is carried out, with spherical as well as deformed choices of nuclei, for a variety of near-symmetric and asymmetric colliding nuclei leading to various isotopes of the compound nucleus Yb*, using the semiclassical extended Thomas-Fermi formulation (ETF) of the Skyrme energy density formalism (SEDF). We observe that the spin-orbit density interaction barrier height ( and barrier position ( increase systematically with the increase in number of neutrons in both the projectile and target, for spherical systems. On allowing deformation effects with optimum orientations, the barrier-height increases by a large order of magnitude, as compared to the spherical case, in going from 156Yb* to 172Yb* nuclear systems formed via near-symmetric Ni+Mo or asymmetric O+Sm colliding nuclei, except that for the oblate-shaped nuclei, the is the highest and shifts towards a smaller (compact) interaction radius. The temperature does not change the behavior of spin-orbit density dependent ( and independent ( interaction potentials, except for some minor changes in the magnitude. The orientation degree of freedom also plays an important role in modifying the barrier characteristics and hence produces a large effect on the fusion cross section. The fusion excitation function of the compound nuclei 160, 164Yb* formed in different incoming channels, show clearly that the new forces GSkI and KDE0v1 respond better than the old SIII force. Among the first two, KDE0v1 seems to perform better. The fusion cross-sections are also predicted for a few other isotopes of Yb*.

Synchrotron Radiation and the Far-Infrared and Mid-Infrared Spectra of Ncncs

NASA Astrophysics Data System (ADS)

Winnewisser, Manfred; Winnewisser, Brenda P.; De Lucia, Frank C.; Tokaryk, Dennis; Ross, Stephen Cary; Billinghurst, Brant E.

2014-06-01

The large-amplitude in-plane bending vibration of NCNCS at 85 wn has a potential energy function which includes a barrier to linearity with a height of about 285 wn. The topology of the surface of the space defined by this two-dimensional potential function exhibits non-trivial monodromy. Therefore an energy/momentum map for a quantum system with its motion determined by such a potential takes the form of a lattice which contains a defect associated with the top of the barrier. In NCNCS, the wavenumber values of the fundamental vibrational excitation and the barrier height mean that easily accessible energy levels allow us to observe 3 bending vibrational levels below and 3 above the barrier, yet still below all of the other vibrational levels, allowing the study of all the levels in the neighborhood of the defect. In three measuring campaigns at the Canadian Light Source in May of the years 2011, 2012, and 2013 we have now obtained 8 of the 9 fundamental vibrational band systems of NCNCS in high resolution, in particular that of the large-amplitude bend in the FIR. So far only a-type spectra have been assigned. Thus we have now determined the Δvb = 1, and ΔKa = 0 vibrational intervals (using bent molecule notation) but do not yet have experimental values for either rotational ΔKa = +/- 1 intervals nor ro-vibrational Δvb = 1, ΔKa = +/- 1 intervals. In May of 2014 we will have our last measuring campaign and hope to observe the more elusive b-type transitions.

36 CFR 1192.105 - Priority seating signs.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Priority seating signs. 1192.105 Section 1192.105 Parks, Forests, and Public Property ARCHITECTURAL AND TRANSPORTATION BARRIERS...” spacing (generally, the space between letters shall be 1/16 the height of upper case letters), and shall...

36 CFR 1192.105 - Priority seating signs.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false Priority seating signs. 1192.105 Section 1192.105 Parks, Forests, and Public Property ARCHITECTURAL AND TRANSPORTATION BARRIERS...” spacing (generally, the space between letters shall be 1/16 the height of upper case letters), and shall...

36 CFR 1192.39 - Destination and route signs.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Destination and route signs. 1192.39 Section 1192.39 Parks, Forests, and Public Property ARCHITECTURAL AND TRANSPORTATION BARRIERS... (generally, the space between letters shall be 1/16 the height of upper case letters), and shall contrast...

36 CFR 1192.55 - Priority seating signs.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false Priority seating signs. 1192.55 Section 1192.55 Parks, Forests, and Public Property ARCHITECTURAL AND TRANSPORTATION BARRIERS... 5/8 inch, with “Wide” spacing (generally, the space between letters shall be 1/16 the height of...

36 CFR 1192.55 - Priority seating signs.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Priority seating signs. 1192.55 Section 1192.55 Parks, Forests, and Public Property ARCHITECTURAL AND TRANSPORTATION BARRIERS... 5/8 inch, with “Wide” spacing (generally, the space between letters shall be 1/16 the height of...

36 CFR 1192.27 - Priority seating signs.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false Priority seating signs. 1192.27 Section 1192.27 Parks, Forests, and Public Property ARCHITECTURAL AND TRANSPORTATION BARRIERS..., the space between letters shall be 1/16 the height of upper case letters), and shall contrast with the...

36 CFR 1192.39 - Destination and route signs.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false Destination and route signs. 1192.39 Section 1192.39 Parks, Forests, and Public Property ARCHITECTURAL AND TRANSPORTATION BARRIERS... (generally, the space between letters shall be 1/16 the height of upper case letters), and shall contrast...

Apolipoprotein E4 influences growth and cognitive responses to micronutrient supplementation in shantytown children from northeast Brazil.

PubMed

Mitter, Sumeet S; Oriá, Reinaldo B; Kvalsund, Michelle P; Pamplona, Paula; Joventino, Emanuella Silva; Mota, Rosa M S; Gonçalves, Davi C; Patrick, Peter D; Guerrant, Richard L; Lima, Aldo A M

2012-01-01

Apolipoprotein E4 may benefit children during early periods of life when the body is challenged by infection and nutritional decline. We examined whether apolipoprotein E4 affects intestinal barrier function, improving short-term growth and long-term cognitive outcomes in Brazilian shantytown children. A total of 213 Brazilian shantytown children with below-median height-for-age z-scores (HAZ) received 200,000 IU of retinol (every four months), zinc (40 mg twice weekly), or both for one year, with half of each group receiving glutamine supplementation for 10 days. Height-for-age z-scores, weight-for-age z-scores, weight-for-height z-scores, and lactulose:mannitol ratios were assessed during the initial four months of treatment. An average of four years (range 1.4-6.6) later, the children underwent cognitive testing to evaluate non-verbal intelligence, coding, verbal fluency, verbal learning, and delayed verbal learning. Apolipoprotein E4 carriage was determined by PCR analysis for 144 children. Thirty-seven children were apolipoprotein E4(+), with an allele frequency of 13.9%. Significant associations were found for vitamin A and glutamine with intestinal barrier function. Apolipoprotein E4(+) children receiving glutamine presented significant positive Pearson correlations between the change in height-for-age z-scores over four months and delayed verbal learning, along with correlated changes over the same period in weight-for-age z-scores and weight-for-height z-scores associated with non-verbal intelligence quotients. There was a significant correlation between vitamin A supplementation of apolipoprotein E4(+) children and improved delta lactulose/mannitol. Apolipoprotein E4(-) children, regardless of intervention, exhibited negative Pearson correlations between the change in lactulose-to-mannitol ratio over four months and verbal learning and non-verbal intelligence. During development, apolipoprotein E4 may function concomitantly with gut-tropic nutrients to benefit immediate nutritional status, which can translate into better long-term cognitive outcomes.

Scaling analysis and instantons for thermally assisted tunneling and quantum Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Jiang, Zhang; Smelyanskiy, Vadim N.; Isakov, Sergei V.; Boixo, Sergio; Mazzola, Guglielmo; Troyer, Matthias; Neven, Hartmut

2017-01-01

We develop an instantonic calculus to derive an analytical expression for the thermally assisted tunneling decay rate of a metastable state in a fully connected quantum spin model. The tunneling decay problem can be mapped onto the Kramers escape problem of a classical random dynamical field. This dynamical field is simulated efficiently by path-integral quantum Monte Carlo (QMC). We show analytically that the exponential scaling with the number of spins of the thermally assisted quantum tunneling rate and the escape rate of the QMC process are identical. We relate this effect to the existence of a dominant instantonic tunneling path. The instanton trajectory is described by nonlinear dynamical mean-field theory equations for a single-site magnetization vector, which we solve exactly. Finally, we derive scaling relations for the "spiky" barrier shape when the spin tunneling and QMC rates scale polynomially with the number of spins N while a purely classical over-the-barrier activation rate scales exponentially with N .

A Temporal Assessment of Barrier Island Vulnerability to Extreme Wave Events, Virginia Coast Reserve

NASA Astrophysics Data System (ADS)

Oster, D. J.; Moore, L. J.; Doran, K. J.; Stockdon, H. F.

2010-12-01

Barrier island vulnerability to storm-generated waves is directly related to interactions between shoreface morphology and surf-zone dynamics. During storms, the seaward-most dune often limits the landward extent of wave energy; however, if maximum wave run-up exceeds the elevation of the top of the dune, overwash or inundation may occur. The ‘Storm Impact Scale’ presented by Sallenger (2000) classifies barrier beach vulnerability to individual storm events based on the elevation of the frontal dune crest and toe relative to maximum wave run-up. Changes to the dune and beachface can occur over a range of time scales, altering local vulnerability to extreme waves from storms, even as a storm is occurring. As sea level continues to rise, barrier beaches will become increasingly vulnerable to overwash and inundation from a greater number of storms. Our objective is to assess temporal trends in barrier island vulnerability while also exploring island-chain-wide response and recovery from two notably different storm events (Nor’Ida and Hurricane Bonnie) along the undeveloped barrier islands of the Virginia Coast Reserve (VCR). We compare shoreline position and elevations of the frontal dune crest (DHIGH) and dune toe (DLOW) across four lidar data sets collected between 1998-2010. Observed significant wave height and period from the National Data Buoy Center and the Duck, NC Field Research Facility for the time period between 1985 and 2009 are classified to represent one-year, five-year, and ten-year storm events that serve as the basis for comparison of island vulnerability through time to a range of storm severity. Initial results reveal significant spatial and temporal variation in barrier island vulnerability to storms throughout the VCR. Despite the range of variability, all three beach features (i.e., shoreline position, DHIGH and DLOW), have moved landward indicating large-scale, widespread migration, or narrowing, of VCR barrier island landforms over the last 10 years. Potentially evolving long-term trends in island vulnerability appear to be difficult to detect, likely due to the short time window of analysis and the preferential capture of short-term variations as two out of the four lidar data sets were collected immediately following a storm event. Further statistical analysis of changes in frontal dune height (DHIGH) and the distance between the dune toe (DLOW) and shoreline will provide insight into short-term responses to individual storms as well as the potential for future long-term changes in barrier island vulnerability, contributing to a better understanding of barrier island response to rising seas and severe storms.

The Characterization of Atmospheric Boundary Layer Depth and Turbulence in a Mixed Rural and Urban Convective Environment

NASA Astrophysics Data System (ADS)

Hicks, Micheal M.

A comprehensive analysis of surface-atmosphere flux exchanges over a mixed rural and urban convective environment is conducted at Howard University Beltsville, MD Research Campus. This heterogeneous site consists of rural, suburban and industrial surface covers to its south, east and west, within a 2 km radius of a flux sensor. The eddy covariance method is utilized to estimate surface-atmosphere flux exchanges of momentum, heat and moisture. The attributes of these surface flux exchanges are contrasted to those of classical homogeneous sites and assessed for accuracy, to evaluate the following: (I) their similarity to conventional convective boundary layer (CBL) processes and (II) their representativeness of the surrounding environment's turbulent properties. Both evaluations are performed as a function of upwind surface conditions. In particular, the flux estimates' obedience to spectrum power laws and similarity theory relationships is used for performing the first evaluation, and their ability to close the surface energy balance and accurately model CBL heights is used for the latter. An algorithm that estimates atmospheric boundary layer heights from observed lidar extinction backscatter was developed, tested and applied in this study. The derived lidar based CBL heights compared well with those derived from balloon borne soundings, with an overall Pearson correlation coefficient and standard deviation of 0.85 and 223 m, respectively. This algorithm assisted in the evaluation of the response of CBL processes to surface heterogeneity, by deriving high temporal CBL heights and using them as independent references of the surrounding area averaged sensible heat fluxes. This study found that the heterogeneous site under evaluation was rougher than classical homogeneous sites, with slower dissipation rates of turbulent kinetic energy. Flux measurements downwind of the industrial complexes exhibited enhanced efficiency in surface-atmosphere momentum, heat, and moisture transport relative to their similarity theory predictions. In addition, these enhanced heat flux estimates ingested into the CBL slab model overestimated observed CBL heights. More spatial flux observations are needed to better understand the role that the industrial complexes are playing in enhancing the efficiency of turbulent processes, which may have important implications on the role humans are assuming in regional climate change.

Malnutrition and Environmental Enrichment: A Statistical Reappraisal of the Findings of the Adoption Study of Winick et al. (1975).

ERIC Educational Resources Information Center

Trueman, Mark

1985-01-01

Critically reviews the influential study "Malnutrition and Environmental Enrichment" by Winick et al. (1975) and highlights what are considered to be statistical flaws in its analysis. Data in the classic study of height, weight, and IQ changes in three groups of adopted, malnourished Korean girls are reanalysed and conclusions…

Learning-based computing techniques in geoid modeling for precise height transformation

NASA Astrophysics Data System (ADS)

Erol, B.; Erol, S.

2013-03-01

Precise determination of local geoid is of particular importance for establishing height control in geodetic GNSS applications, since the classical leveling technique is too laborious. A geoid model can be accurately obtained employing properly distributed benchmarks having GNSS and leveling observations using an appropriate computing algorithm. Besides the classical multivariable polynomial regression equations (MPRE), this study attempts an evaluation of learning based computing algorithms: artificial neural networks (ANNs), adaptive network-based fuzzy inference system (ANFIS) and especially the wavelet neural networks (WNNs) approach in geoid surface approximation. These algorithms were developed parallel to advances in computer technologies and recently have been used for solving complex nonlinear problems of many applications. However, they are rather new in dealing with precise modeling problem of the Earth gravity field. In the scope of the study, these methods were applied to Istanbul GPS Triangulation Network data. The performances of the methods were assessed considering the validation results of the geoid models at the observation points. In conclusion the ANFIS and WNN revealed higher prediction accuracies compared to ANN and MPRE methods. Beside the prediction capabilities, these methods were also compared and discussed from the practical point of view in conclusions.

Wave Overtopping of a Barrier Beach

NASA Astrophysics Data System (ADS)

Thornton, E. B.; Laudier, N.; Macmahan, J. H.

2009-12-01

The rate of wave overtopping of a barrier beach is measured and modeled as a first step in modeling the breaching of a beach impounding an ephemeral river. Unique rate of wave overtopping data are obtained from the measure of the Carmel River, California, lagoon filling during a time when the lagoon is closed-off and there is no river inflow. Volume changes are calculated from measured lagoon height changes owing to wave overtopping by a stage-volume curve, then center differenced and averaged to provide volume rates of change in the lagoon. Wave height and period are obtained from CDIP MOPS directional wave spectra data in 15m fronting the beach. Beach morphology was measured by GPS walking surveys and interpolated for beach slopes and berm heights. Three empirical overtopping models by van der Meer and Janssen (1995), Hedges and Reis (1998) and Pullen et al. (2007) with differing parameterizations on wave height, period and beach slope and calibrated using extensive laboratory data obtained over plane, impermeable beaches are compared with the data. In addition, the run-up model by Stockdon et al. (2006) based on field data is examined. Three wave overtopping storm events are considered when morphology data were available less than 2 weeks prior to the event. The models are tuned to fit the data using a reduction factor to account for beach permeability, berm characteristics, non-normal wave incidence and surface roughness influence. It is concluded that the Stockdon et al. (2006) model underestimates run-up as no overtopping is predicted with this model. The three empirical overtopping models behaved similarly well with regression coefficients ranging 0.72 to 0.86 using a reasonable range of reduction factors 0.66 - 0.81 with an average of 0.74.

Superluminal tunneling of a relativistic half-integer spin particle through a potential barrier

NASA Astrophysics Data System (ADS)

Nanni, Luca

2017-11-01

This paper investigates the problem of a relativistic Dirac half-integer spin free particle tunneling through a rectangular quantum-mechanical barrier. If the energy difference between the barrier and the particle is positive, and the barrier width is large enough, there is proof that the tunneling may be superluminal. For first spinor components of particle and antiparticle states, the tunneling is always superluminal regardless the barrier width. Conversely, the second spinor components of particle and antiparticle states may be either subluminal or superluminal depending on the barrier width. These results derive from studying the tunneling time in terms of phase time. For the first spinor components of particle and antiparticle states, it is always negative while for the second spinor components of particle and antiparticle states, it is always positive, whatever the height and width of the barrier. In total, the tunneling time always remains positive for particle states while it becomes negative for antiparticle ones. Furthermore, the phase time tends to zero, increasing the potential barrier both for particle and antiparticle states. This agrees with the interpretation of quantum tunneling that the Heisenberg uncertainty principle provides. This study's results are innovative with respect to those available in the literature. Moreover, they show that the superluminal behaviour of particles occurs in those processes with high-energy confinement.

Understanding the fusion cross section among light nuclei around the Coulomb barrier

NASA Astrophysics Data System (ADS)

Del Zoppo, Antonio; La Cognata, Marco

2017-11-01

In this work we investigate fusion induced by a radioactive 8Li projectile on a 4He gas target, at center-of-mass energies between 0.6 and 5 MeV. The main result is the tendency of the dimensionless fusion cross section to form well visible plateaus alternated to steep rises. This is likely to be the most genuine consequence of the discrete nature of the intervening angular momenta observed so far in fusion reactions right above the Coulomb barrier. A partial-wave analysis, exclusively based on a pure quantal penetration fusion model, identifies a remarkably low-height barrier. Indeed, these plateaus allow enhanced experimental sensitivity to the fusion barrier given that the most barrier-sensitive lowest partial waves are well separated. We expect that the present results for 8Li+4He will promote further investigations of the fusion reaction mechanism between very light ions at energies much below the interaction barrier. For the moment, we believe that understanding the plateau origin in the cross section above the barrier will almost certainly be useful to corroborate the extrapolation to the important astrophysical region below the Coulomb barrier, not only in the case of the 8Li+4He fusion but also for other systems, such as the 12C+12C.

Relativistic quantum Darwinism in Dirac fermion and graphene systems

NASA Astrophysics Data System (ADS)

Ni, Xuan; Huang, Liang; Lai, Ying-Cheng; Pecora, Louis

2012-02-01

We solve the Dirac equation in two spatial dimensions in the setting of resonant tunneling, where the system consists of two symmetric cavities connected by a finite potential barrier. The shape of the cavities can be chosen to yield both regular and chaotic dynamics in the classical limit. We find that certain pointer states about classical periodic orbits can exist, which are signatures of relativistic quantum Darwinism (RQD). These localized states suppress quantum tunneling, and the effect becomes less severe as the underlying classical dynamics in the cavity is chaotic, leading to regularization of quantum tunneling. Qualitatively similar phenomena have been observed in graphene. A physical theory is developed to explain relativistic quantum Darwinism and its effects based on the spectrum of complex eigenenergies of the non-Hermitian Hamiltonian describing the open cavity system.

A model for explaining fusion suppression using classical trajectory method

NASA Astrophysics Data System (ADS)

Phookan, C. K.; Kalita, K.

2015-01-01

We adopt a semi-classical approach for explanation of projectile breakup and above barrier fusion suppression for the reactions 6Li+152Sm and 6Li+144Sm. The cut-off impact parameter for fusion is determined by employing quantum mechanical ideas. Within this cut-off impact parameter for fusion, the fraction of projectiles undergoing breakup is determined using the method of classical trajectory in two-dimensions. For obtaining the initial conditions of the equations of motion, a simplified model of the 6Li nucleus has been proposed. We introduce a simple formula for explanation of fusion suppression. We find excellent agreement between the experimental and calculated fusion cross section. A slight modification of the above formula for fusion suppression is also proposed for a three-dimensional model.

Far-infrared response of spherical quantum dots: Dielectric effects and the generalized Kohn's theorem

NASA Astrophysics Data System (ADS)

Movilla, J. L.; Planelles, J.

2007-05-01

The influence of the dielectric environment on the far-infrared (FIR) absorption spectra of two-electron spherical quantum dots is theoretically studied. Effective mass and envelope function approaches with realistic steplike confining potentials are used. Special attention is paid to absorptions that are induced by the electron-electron interaction. High confining barriers make the FIR absorption coefficients almost independent of the quantum dot dielectric environment. Low barrier heights and strong dielectric mismatches preserve the strong fundamental (Kohn) mode but yield the cancellation of excited absorptions, thus monitoring dielectrically induced phase transitions from volume to surface states.

A New Potential Energy Surface for N+O2: Is There an NOO Minimum?

NASA Technical Reports Server (NTRS)

Walch, Stephen P.

1995-01-01

We report a new calculation of the N+02 potential energy surface using complete active space self-consistent field internally contracted configuration interaction with the Dunning correlation consistent basis sets. The peroxy isomer of N02 is found to be a very shallow minimum separated from NO+O by a barrier of only 0.3 kcal/mol (excluding zero-point effects). The entrance channel barrier height is estimated to be 8.6 kcal/mol for ICCI+Q calculations correlating all but the Ols and N1s electrons with a cc-p VQZ basis set.

Electrical transport properties of nanoplates shaped tungsten oxide embedded poly(vinyl-alcohol) film

NASA Astrophysics Data System (ADS)

Das, Amit Kumar; Chatterjee, Piyali; Meikap, Ajit Kumar

2018-04-01

Tungsten oxide (WO3) nanoplates have been synthesized via hydrothermal method. The average crystallite size of the nanoplates is 28.9 ± 0.5 nm. The direct and indirect band gap of WO3 is observed. The AC conductivity of PVA-WO3 composite film has been observed and carrier transport mechanism follows correlated barrier hopping model. The maximum barrier height of the composite film is 0.1 eV. The electric modulus reflects the non-Debye type behaviour of relaxation time which is simulated by Kohlrausch-Willims-Watts (KWW) function.

Van der Waals heterostructure of phosphorene and graphene: tuning the Schottky barrier and doping by electrostatic gating.

PubMed

Padilha, J E; Fazzio, A; da Silva, Antônio J R

2015-02-13

In this Letter, we study the structural and electronic properties of single-layer and bilayer phosphorene with graphene. We show that both the properties of graphene and phosphorene are preserved in the composed heterostructure. We also show that via the application of a perpendicular electric field, it is possible to tune the position of the band structure of phosphorene with respect to that of graphene. This leads to control of the Schottky barrier height and doping of phosphorene, which are important features in the design of new devices based on van der Waals heterostructures.

Effect of substitution group on dielectric properties of 4H-pyrano [3, 2-c] quinoline derivatives thin films

NASA Astrophysics Data System (ADS)

H, M. Zeyada; F, M. El-Taweel; M, M. El-Nahass; M, M. El-Shabaan

2016-07-01

The AC electrical conductivity and dielectrical properties of 2-amino-6-ethyl-5-oxo-4-(3-phenoxyphenyl)-5,6-dihydro-4H-pyrano[3, 2-c]quinoline-3-carbonitrile (Ph-HPQ) and 2-amino-4-(2-chlorophenyl)-6-ethyl-5-oxo-5,6-dihydro-4H-pyrano [3, 2-c] quinoline-3-carbonitrile (Ch-HPQ) thin films were determined in the frequency range of 0.5 kHz-5 MHz and the temperature range of 290-443 K. The AC electrical conduction of both compounds in thin film form is governed by the correlated barrier hopping (CBH) mechanism. Some parameters such as the barrier height, the maximum barrier height, the density of charges, and the hopping distance were determined as functions of temperature and frequency. The phenoxyphenyl group has a greater influence on those parameters than the chlorophenyl group. The AC activation energies were determined at different frequencies and temperatures. The dielectric behaviors of Ph-HPQ and Ch-HPQ were investigated using the impedance spectroscopy technique. The impedance data are presented in Nyquist diagrams for different temperatures. The Ch-HPQ films have higher impedance than the Ph-HPQ films. The real dielectric constant and dielectric loss show a remarkable dependence on the frequency and temperature. The Ph-HPQ has higher dielectric constants than the Ch-HPQ.

Band structure effects on resonant tunneling in III-V quantum wells versus two-dimensional vertical heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campbell, Philip M., E-mail: philip.campbell@gatech.edu; Electronic Systems Laboratory, Georgia Tech Research Institute, Atlanta, Georgia 30332; Tarasov, Alexey

Since the invention of the Esaki diode, resonant tunneling devices have been of interest for applications including multi-valued logic and communication systems. These devices are characterized by the presence of negative differential resistance in the current-voltage characteristic, resulting from lateral momentum conservation during the tunneling process. While a large amount of research has focused on III-V material systems, such as the GaAs/AlGaAs system, for resonant tunneling devices, poor device performance and device-to-device variability have limited widespread adoption. Recently, the symmetric field-effect transistor (symFET) was proposed as a resonant tunneling device incorporating symmetric 2-D materials, such as transition metal dichalcogenides (TMDs),more » separated by an interlayer barrier, such as hexagonal boron-nitride. The achievable peak-to-valley ratio for TMD symFETs has been predicted to be higher than has been observed for III-V resonant tunneling devices. This work examines the effect that band structure differences between III-V devices and TMDs has on device performance. It is shown that tunneling between the quantized subbands in III-V devices increases the valley current and decreases device performance, while the interlayer barrier height has a negligible impact on performance for barrier heights greater than approximately 0.5 eV.« less

The role of confined collagen geometry in decreasing nucleation energy barriers to intrafibrillar mineralization.

PubMed

Kim, Doyoon; Lee, Byeongdu; Thomopoulos, Stavros; Jun, Young-Shin

2018-03-06

Mineralization of collagen is critical for the mechanical functions of bones and teeth. Calcium phosphate nucleation in collagenous structures follows distinctly different patterns in highly confined gap regions (nanoscale confinement) than in less confined extrafibrillar spaces (microscale confinement). Although the mechanism(s) driving these differences are still largely unknown, differences in the free energy for nucleation may explain these two mineralization behaviors. Here, we report on experimentally obtained nucleation energy barriers to intra- and extrafibrillar mineralization, using in situ X-ray scattering observations and classical nucleation theory. Polyaspartic acid, an extrafibrillar nucleation inhibitor, increases interfacial energies between nuclei and mineralization fluids. In contrast, the confined gap spaces inside collagen fibrils lower the energy barrier by reducing the reactive surface area of nuclei, decreasing the surface energy penalty. The confined gap geometry, therefore, guides the two-dimensional morphology and structure of bioapatite and changes the nucleation pathway by reducing the total energy barrier.

Fluid Flow and Mass Transfer in Micro/Nano-Channels

NASA Astrophysics Data System (ADS)

Conlisk, A. T.; McFerran, Jennifer; Hansford, Derek; Zheng, Zhi

2001-11-01

In this work the fluid flow and mass transfer due to the presence of an electric field in a rectangular channel is examined. We consider a mixture of water or other neutral solvent and a salt compound such as sodium chloride for which the ionic species are entirely dissociated. Results are produced for the case where the channel height is much greater than the electric double layer(EDL)(microchannel) and for the case where the channel height is of the order or somewhat greater than the width of the EDL(nanochannel). For the electroosmotic flow so induced, the velocity field and the potential are similar. The fluid is assumed to behave as a continuum and the Boltzmann distribution for the mole fractions of the ions emerges from the classical dilute mass transfer equation in the limiting case where the EDL thickness is much less than the channel height. Depending on the relative magnitude of the mole fractions at the walls of the channel, both forward and reversed flow may occur. The volume flow rate is observed to vary linearly with channel height for electrically driven flow in contrast to pressure driven flow which varies as height cubed. This means that power requirements for small channels are much greater for pressure driven flow. Supported by DARPA

Biological and Sociocultural Differences in Perceived Barriers to Physical Activity Among Fifth- to Seventh-Grade Urban Girls.

PubMed

Vermeesch, Amber L; Ling, Jiying; Voskuil, Vicki R; Bakhoya, Marion; Wesolek, Stacey M; Bourne, Kelly A; Pfeiffer, Karin A; Robbins, Lorraine B

2015-01-01

Inadequate physical activity (PA) contributes to the high prevalence of overweight and obesity among U.S. adolescent girls. Barriers preventing adolescent girls from meeting PA guidelines have not been thoroughly examined. The threefold purpose of this study was to (a) determine pubertal stage, racial/ethnic, and socioeconomic status (SES) differences in ratings of interference of barriers to PA; (b) examine relationships between perceived barriers and age, body mass index, recreational screen time, sedentary activity, and PA; and (c) identify girls' top-rated perceived barriers to PA. Girls (N = 509) from eight Midwestern U.S. schools participated. Demographic, pubertal stage, perceived barriers, and recreational screen time data were collected via surveys. Height and weight were measured. Accelerometers measured sedentary activity, moderate-to-vigorous PA (MVPA), and light plus MVPA. Girls of low SES reported greater interference of perceived barriers to PA than those who were not of low SES (1.16 vs. 0.97, p = .01). Girls in early/middle puberty had lower perceived barriers than those in late puberty (1.03 vs. 1.24, p < .001). Girls' perceived barriers were negatively related to MVPA (r = -.10, p = .03) and light plus MVPA (r = -.11, p = .02). Girls' top five perceived barriers included lack of skills, hating to sweat, difficulty finding programs, being tired, and having pain. Innovative interventions, particularly focusing on skill development, are needed to assist girls in overcoming their perceived barriers to PA.

Modelling Of Anticipated Damage Ratio On Breakwaters Using Fuzzy Logic

NASA Astrophysics Data System (ADS)

Mercan, D. E.; Yagci, O.; Kabdasli, S.

2003-04-01

In breakwater design the determination of armour unit weight is especially important in terms of the structure's life. In a typical experimental breakwater stability study, different wave series composed of different wave heights; wave period and wave steepness characteristics are applied in order to investigate performance the structure. Using a classical approach, a regression equation is generated for damage ratio as a function of characteristic wave height. The parameters wave period and wave steepness are not considered. In this study, differing from the classical approach using a fuzzy logic, a relationship between damage ratio as a function of mean wave period (T_m), wave steepness (H_s/L_m) and significant wave height (H_s) was further generated. The system's inputs were mean wave period (T_m), wave steepness (H_s/L_m) and significant wave height (H_s). For fuzzification all input variables were divided into three fuzzy subsets, their membership functions were defined using method developed by Mandani (Mandani, 1974) and the rules were written. While for defuzzification the centroid method was used. In order to calibrate and test the generated models an experimental study was conducted. The experiments were performed in a wave flume (24 m long, 1.0 m wide and 1.0 m high) using 20 different irregular wave series (P-M spectrum). Throughout the study, the water depth was 0.6 m and the breakwater cross-sectional slope was 1V/2H. In the armour layer, a type of artificial armour unit known as antifer cubes were used. The results of the established fuzzy logic model and regression equation model was compared with experimental data and it was determined that the established fuzzy logic model gave a more accurate prediction of the damage ratio on this type of breakwater. References Mandani, E.H., "Application of Fuzzy Algorithms for Control of Simple Dynamic Plant", Proc. IEE, vol. 121, no. 12, December 1974.

On the validity of the Arrhenius equation for electron attachment rate coefficients.

PubMed

Fabrikant, Ilya I; Hotop, Hartmut

2008-03-28

The validity of the Arrhenius equation for dissociative electron attachment rate coefficients is investigated. A general analysis allows us to obtain estimates of the upper temperature bound for the range of validity of the Arrhenius equation in the endothermic case and both lower and upper bounds in the exothermic case with a reaction barrier. The results of the general discussion are illustrated by numerical examples whereby the rate coefficient, as a function of temperature for dissociative electron attachment, is calculated using the resonance R-matrix theory. In the endothermic case, the activation energy in the Arrhenius equation is close to the threshold energy, whereas in the case of exothermic reactions with an intermediate barrier, the activation energy is found to be substantially lower than the barrier height.

Chiral tunneling in a twisted graphene bilayer.

PubMed

He, Wen-Yu; Chu, Zhao-Dong; He, Lin

2013-08-09

The perfect transmission in a graphene monolayer and the perfect reflection in a Bernal graphene bilayer for electrons incident in the normal direction of a potential barrier are viewed as two incarnations of the Klein paradox. Here we show a new and unique incarnation of the Klein paradox. Owing to the different chiralities of the quasiparticles involved, the chiral fermions in a twisted graphene bilayer show an adjustable probability of chiral tunneling for normal incidence: they can be changed from perfect tunneling to partial or perfect reflection, or vice versa, by controlling either the height of the barrier or the incident energy. As well as addressing basic physics about how the chiral fermions with different chiralities tunnel through a barrier, our results provide a facile route to tune the electronic properties of the twisted graphene bilayer.

Serb Guardrail : South Ashland Interchange California State Line Section Pacific Highway (Interstate 5) Jackson County, Oregon : final report.

DOT National Transportation Integrated Search

1997-02-01

The Self Restoring Barrier (SERB) is a proprietary guardrail unit comprised of a single tubular thrie beam held outward from the supporting wooden posts by pivoting metal arms, its height above the ground secured by short cables attached to the top o...

36 CFR § 1192.23 - Mobility aid accessibility.

Code of Federal Regulations, 2013 CFR

2013-07-01

... at vehicle floor height with the inner barrier (if applicable) down or retracted, gaps between the.... Such space shall adjoin, and may overlap, an access path. Not more than 6 inches of the required clear floor space may be accommodated for footrests under another seat provided there is a minimum of 9 inches...

36 CFR 1192.23 - Mobility aid accessibility.

Code of Federal Regulations, 2014 CFR

2014-07-01

... at vehicle floor height with the inner barrier (if applicable) down or retracted, gaps between the.... Such space shall adjoin, and may overlap, an access path. Not more than 6 inches of the required clear floor space may be accommodated for footrests under another seat provided there is a minimum of 9 inches...

36 CFR 1192.23 - Mobility aid accessibility.

Code of Federal Regulations, 2012 CFR

2012-07-01

... at vehicle floor height with the inner barrier (if applicable) down or retracted, gaps between the.... Such space shall adjoin, and may overlap, an access path. Not more than 6 inches of the required clear floor space may be accommodated for footrests under another seat provided there is a minimum of 9 inches...

49 CFR 38.23 - Mobility aid accessibility.

Code of Federal Regulations, 2012 CFR

2012-10-01

... in width. When the platform is at vehicle floor height with the inner barrier (if applicable) down or... accessible entrance as practicable and shall have a clear floor area of 30 inches by 48 inches. Such space shall adjoin, and may overlap, an access path. Not more than 6 inches of the required clear floor space...

49 CFR 38.23 - Mobility aid accessibility.

Code of Federal Regulations, 2014 CFR

2014-10-01

... in width. When the platform is at vehicle floor height with the inner barrier (if applicable) down or... accessible entrance as practicable and shall have a clear floor area of 30 inches by 48 inches. Such space shall adjoin, and may overlap, an access path. Not more than 6 inches of the required clear floor space...

A new ab initio potential energy surface of LiClH (1A') system and quantum dynamics calculation for Li + HCl (v = 0, j = 0-2) → LiCl + H reaction

NASA Astrophysics Data System (ADS)

Tan, Rui Shan; Zhai, Huan Chen; Yan, Wei; Gao, Feng; Lin, Shi Ying

2017-04-01

A new ab initio potential energy surface (PES) for the ground state of Li + HCl reactive system has been constructed by three-dimensional cubic spline interpolation of 36 654 ab initio points computed at the MRCI+Q/aug-cc-pV5Z level of theory. The title reaction is found to be exothermic by 5.63 kcal/mol (9 kcal/mol with zero point energy corrections), which is very close to the experimental data. The barrier height, which is 2.99 kcal/mol (0.93 kcal/mol for the vibrationally adiabatic barrier height), and the depth of van der Waals minimum located near the entrance channel are also in excellent agreement with the experimental findings. This study also identified two more van der Waals minima. The integral cross sections, rate constants, and their dependence on initial rotational states are calculated using an exact quantum wave packet method on the new PES. They are also in excellent agreement with the experimental measurements.

Design consideration of δ-doping channels for high-performance n + - GaAs / p + -InGaP/n-GaAs camel-gate field effect transistors

NASA Astrophysics Data System (ADS)

Tsai, Jung-Hui; Chen, Jeng-Shyan; Chu, Yu-Jui

2005-01-01

The influence of δ-doping channels on the performance of n +-GaAs/p +-InGaP/n-GaAs camel-gate field effect transistors is investigated by theoretical analysis and experimental results. The depleted pn junction of the camel gate and the existence of considerable conduction band discontinuity at the InGaP/GaAs heterojunction enhance the potential barrier height and the forward gate voltage. As the concentration-thickness products of the n-GaAs layer and δ-doping layer are fixed, the higher δ-doping device exhibits a higher potential barrier height, a larger drain current, and a broader gate voltage swing, whereas the transconductance is somewhat lower. For a n +=5.5×10 12 cm -2δ-doping device, the experimental result exhibits a maximum transconductance of 240 mS/mm and a gate voltage swing of 3.5 V. Consequently, the studied devices provide a good potential for large signal and linear circuit applications.

An Evaluation of Structural, Topographic, Optical, and Temperature-Dependent Electrical Features of Sol-Gel Spin-Coated p-NiO/n-Si Heterojunction

NASA Astrophysics Data System (ADS)

Turgut, Güven; Duman, Songül; Özcelik, Fikriye Şeyma

2017-06-01

p-NiO/n-Si heterodiode was deposited with an easy and cheap sol-gel route using a spin coater. The XRD results revealed that NiO film had polycrystalline cubic bunsenite structure with (200) preferential direction. The AFM and SEM micrographs indicated that the film was composed of homogenously distributed nanoparticles on n-Si surface. The uniform scattering of Ni and O elements was also seen from EDX mapping pictures. The band gap value for NiO sample was found to be 3.74 eV. The current-voltage ( I- V) properties of Ag/p-NiO/n-Si heterojunction were inquired in the temperature range of 80 K to 300 K (-193 °C to 27 °C). The temperature coefficient of barrier height of the Ag/p-NiO/n-Si heterojunction was determined to be 2.6 meV/K. The I- V measurements showed that the barrier height of the heterojunction increased with an increment in the temperature.

Force and light tuning vertical tunneling current in the atomic layered MoS2.

PubMed

Li, Feng; Lu, Zhixing; Lan, Yann-Wen; Jiao, Liying; Xu, Minxuan; Zhu, Xiaoyang; Zhang, Xiankun; Wu, Hualin; Qi, Junjie

2018-07-06

In this work, the vertical electrical transport behavior of bilayer MoS 2 under the coupling of force and light was explored by the use of conductive atomic force microscopy. We found that the current-voltage behavior across the tip-MoS 2 -Pt junction is a tunneling current that can be well fitted by a Simmons approximation. The transport behavior is direct tunneling at low bias and Fowler-Nordheim tunneling at high bias, and the transition voltage and tunnel barrier height are extracted. The effect of force and light on the effective band gap of the junction is investigated. Furthermore, the source-drain current drops surprisingly when we continually increase the force, and the dropping point is altered by the provided light. This mechanism is responsible for the tuning of tunneling barrier height and width by force and light. These results provide a new way to design devices that take advantage of ultrathin two-dimensional materials. Ultrashort channel length electronic components that possess tunneling current are important for establishing high-efficiency electronic and optoelectronic systems.

Structural and electrical characterization of epitaxial Ge thin films on Si(001) formed by sputtering

NASA Astrophysics Data System (ADS)

Otsuka, Shintaro; Mori, Takahiro; Morita, Yukinori; Uchida, Noriyuki; Liu, Yongxun; O'uchi, Shin-ichi; Fuketa, Hiroshi; Migita, Shinji; Masahara, Meishoku; Matsukawa, Takashi

2017-04-01

We structurally and electrically characterize sub-10-nm-thick heteroepitaxial Ge films on Si(001), formed by heated sputtering and subsequent rapid thermal annealing (RTA). After RTA treatment at 720 °C, we find the heteroepitaxial Ge films to have smooth surfaces with a roughness root mean square value of 0.54 nm. Raman measurement reveals that the 720 °C RTA improves the crystallinity of Ge films while maintaining abrupt Ge/Si interfaces. Cross-sectional transmission electron microscopy confirms that the 720 °C RTA step effectively reduces stacking faults and dislocations in the Ge films. The Richardson plot of the TaN/Ge/n-Si diode indicates a Schottky barrier height (SBH) of 0.33 V, which is close to the height of 0.37 V measured from the capacitance-voltage measurement. These values are reasonable compared with the reported SBH of the TaN/bulk Ge Schottky barrier diode, indicating that the method involving heated sputtering and subsequent RTA provides adequate thin Ge films for Ge/Si heterostructures.

Enhancing analog performance and suppression of subthreshold swing using hetero-junctionless double gate TFETs

NASA Astrophysics Data System (ADS)

Chauhan, Sudakar Singh; Sharma, Neha

2017-12-01

This paper proposes hetero-junctionless double gate tunnel field effect transistor (HJLDG-TFETs) for suppression of subthreshold swing (SS) using an InAs compound semiconductor material. The proposed device with high dielectric material, gives an excellent performance when InAs uses at source side. Because of low band gap of 0.36 eV , it reduces the potential barrier height of source channel interface causing higher band to band tunneling. Whereas, Si at the drain side with higher band gap of 1.12 eV , increasing the barrier height of drain channel interface causing lower quantum tunneling. As a result, the proposed device with high-k (HfO2) at 30 nm channel section provides a tremendous characteristics with high ION /IOFF ratio of 2 ×1011 , a point SS of 43.30 mV / decade and moderate SS of 56.75 mV / decade . All the above results show that the proposed device is assured for a low power switching application. The variation in gate supply voltage also analyzed for transconductance property of the device.

A theoretical study of structural and electronic properties of pentacene/Al(100) interface.

PubMed

Saranya, G; Nair, Shiny; Natarajan, V; Kolandaivel, P; Senthilkumar, K

2012-09-01

The first principle calculations within the framework of density functional theory have been performed for the pentacene molecule deposited on the aluminum Al(100) substrate to study the structural and electronic properties of the pentacene/Al(100) interface. The most stable configuration was found at bridge site with 45° rotation of the pentacene molecule on Al(100) surface with a vertical distance of 3.4 Å within LDA and 3.8 Å within GGA functionals. The calculated adsorption energy reveals that the adsorption of pentacene molecule on Al(100) surface is physisorption. For the stable adsorption geometry the electronic properties such as density of states (DOS), partial density of states (PDOS), Mulliken population analysis and Schottky barrier height are studied. The analysis of atomic charge, DOS and PDOS show that the charge is transferred from the Al(100) surface to pentacene molecule, and the transferred charge is about -0.05 electrons. For the adsorbed system, the calculated Schottky barrier height for hole and electron transport is 0.27 and 1.55 eV, respectively. Copyright © 2012 Elsevier Inc. All rights reserved.

Carrier-transport mechanism of Er-silicide Schottky contacts to strained-silicon-on-insulator and silicon-on-insulator.

PubMed

Jyothi, I; Janardhanam, V; Kang, Min-Sung; Yun, Hyung-Joong; Lee, Jouhahn; Choi, Chel-Jong

2014-11-01

The current-voltage characteristics and the carrier-transport mechanism of the Er-silicide (ErSi1.7) Schottky contacts to strained-silicon-on-insulator (sSOI) and silicon-on-insulator (SOI) were investigated. Barrier heights of 0.74 eV and 0.82 eV were obtained for the sSOI and SOI structures, respectively. The barrier height of the sSOI structure was observed to be lower than that of the SoI structure despite the formation of a Schottky contact using the same metal silicide. The sSOI structure exhibited better rectification and higher current level than the SOI structure, which could be associated with a reduction in the band gap of Si caused by strain. The generation-recombination mechanism was found to be dominant in the forward bias for both structures. Carrier generation along with the Poole-Frenkel mechanism dominated the reverse-biased current in the SOI structure. The saturation tendency of the reverse leakage current in the sSOI structure could be attributed to strain-induced defects at the interface in non-lattice-matched structures.

Flexible piezotronic strain sensor.

PubMed

Zhou, Jun; Gu, Yudong; Fei, Peng; Mai, Wenjie; Gao, Yifan; Yang, Rusen; Bao, Gang; Wang, Zhong Lin

2008-09-01

Strain sensors based on individual ZnO piezoelectric fine-wires (PFWs; nanowires, microwires) have been fabricated by a simple, reliable, and cost-effective technique. The electromechanical sensor device consists of a single electrically connected PFW that is placed on the outer surface of a flexible polystyrene (PS) substrate and bonded at its two ends. The entire device is fully packaged by a polydimethylsiloxane (PDMS) thin layer. The PFW has Schottky contacts at its two ends but with distinctly different barrier heights. The I- V characteristic is highly sensitive to strain mainly due to the change in Schottky barrier height (SBH), which scales linear with strain. The change in SBH is suggested owing to the strain induced band structure change and piezoelectric effect. The experimental data can be well-described by the thermionic emission-diffusion model. A gauge factor of as high as 1250 has been demonstrated, which is 25% higher than the best gauge factor demonstrated for carbon nanotubes. The strain sensor developed here has applications in strain and stress measurements in cell biology, biomedical sciences, MEMS devices, structure monitoring, and more.

Theoretical studies of damage to 3'-uridine monophosphate induced by electron attachment.

PubMed

Zhang, Ru Bo; Zhang, Ke; Eriksson, Leif A

2008-01-01

Low-energy electrons (LEE) are well known to induce nucleic acid damage. However, the damage mechanisms related to charge state and structural features remain to be explored in detail. In the present work, we have investigated the N1-glycosidic and C3'-O(P) bond ruptures of 3'-UMP (UMP=uridine monophosphate) and the protonated form 3'-UMPH with -1 and zero charge, respectively, based on hybrid density functional theory (DFT) B3 LYP together with the 6-31+G(d,p) basis set. The glycosidic bond breakage reactions of the 3'UMP and 3'UMPH electron adducts are exothermic in both cases, with barrier heights of 19-20 kcal mol(-1) upon inclusion of bulk solvation. The effects of the charge state on the phosphate group are marginal, but the C2'-OH group destabilizes the transition structure of glycosidic bond rupture of 3'-UMPH in the gas phase by approximately 5.0 kcal mol(-1). This is in contrast with the C3'-O(P) bond ruptures induced by LEE in which the charge state on the phosphate influences the barrier heights and reaction energies considerably. The barrier towards C3'-O(P) bond dissociation in the 3'UMP electron adduct is higher in the gas phase than the one corresponding to glycosidic bond rupture and is dramatically influenced by the C2'-OH group and bulk salvation, which decreases the barrier to 14.7 kcal mol(-1). For the C3'-O(P) bond rupture of the 3'UMPH electron adduct, the reaction is exothermic and the barrier is even lower, 8.2 kcal mol(-1), which is in agreement with recent results for 3'-dTMPH and 5'-dTMPH (dTMPH=deoxythymidine monophosphate). Both the Mulliken atomic charges and unpaired-spin distribution play significant roles in the reactions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maurer, K. D.; Bohrer, G.; Kenny, W. T.

Surface roughness parameters, namely the roughness length and displacement height, are an integral input used to model surface fluxes. However, most models assume these parameters to be a fixed property of plant functional type and disregard the governing structural heterogeneity and dynamics. In this study, we use large-eddy simulations to explore, in silico, the effects of canopy-structure characteristics on surface roughness parameters. We performed a virtual experiment to test the sensitivity of resolved surface roughness to four axes of canopy structure: (1) leaf area index, (2) the vertical profile of leaf density, (3) canopy height, and (4) canopy gap fraction.more » We found roughness parameters to be highly variable, but uncovered positive relationships between displacement height and maximum canopy height, aerodynamic canopy height and maximum canopy height and leaf area index, and eddy-penetration depth and gap fraction. We also found negative relationships between aerodynamic canopy height and gap fraction, as well as between eddy-penetration depth and maximum canopy height and leaf area index. We generalized our model results into a virtual "biometric" parameterization that relates roughness length and displacement height to canopy height, leaf area index, and gap fraction. Using a decade of wind and canopy-structure observations in a site in Michigan, we tested the effectiveness of our model-driven biometric parameterization approach in predicting the friction velocity over heterogeneous and disturbed canopies. We compared the accuracy of these predictions with the friction-velocity predictions obtained from the common simple approximation related to canopy height, the values calculated with large-eddy simulations of the explicit canopy structure as measured by airborne and ground-based lidar, two other parameterization approaches that utilize varying canopy-structure inputs, and the annual and decadal means of the surface roughness parameters at the site from meteorological observations. We found that the classical representation of constant roughness parameters (in space and time) as a fraction of canopy height performed relatively well. Nonetheless, of the approaches we tested, most of the empirical approaches that incorporate seasonal and interannual variation of roughness length and displacement height as a function of the dynamics of canopy structure produced more precise and less biased estimates for friction velocity than models with temporally invariable parameters.« less

Microstructural, electrical and frequency-dependent properties of Au/p-Cu2ZnSnS4/n-GaN heterojunction.

PubMed

Rajagopal Reddy, V; Janardhanam, V; Won, Jonghan; Choi, Chel-Jong

2017-08-01

An Au/Cu 2 ZnSnS 4 (CZTS)/n-GaN heterojunction (HJ) is fabricated with a CZTS interlayer and probed its chemical states, structural, electrical and frequency-dependent characteristics by XPS, TEM, I-V and C-V measurements. XPS and TEM results confirmed that the CZTS films are formed on the n-GaN surface. The band gap of deposited CZTS film is found to be 1.55eV. The electrical properties of HJ correlated with the Au/n-GaN Schottky junction (SJ). The Au/CZTS/n-GaN HJ reveals a good rectification nature with high barrier height (0.82eV) compared to the Au/n-GaN SJ (0.69eV), which suggests the barrier height is influenced by the CZTS interlayer. The barrier height values assessed by I-V, Cheung's and Norde functions are closely matched with one other, thus the methods used here are reliable and valid. The extracted interface state density (N SS ) of Au/CZTS/n-GaN HJ is lower compared to the Au/n-GaN SJ that suggests the CZTS interlayer plays an important role in the reduction of N SS . Moreover, the capacitance-frequency (C-f) and conductance-frequency (G-f) characteristics of SJ and HJ are measured in the range of 1kHz-1MHz, and found that the capacitance and conductance strappingly dependent on frequency. It is found that the N SS estimated from C-f and G-f characteristics is lower compared to those estimated from I-V characteristics. Analysis confirmed that Poole-Frenkel emission dominates the reverse leakage current in both SJ and HJ, probably related to the structural defects and trap levels in the CZTS interlayer. Copyright © 2017 Elsevier Inc. All rights reserved.

Temperature and voltage dependence of barrier height and ideality factor in Au/0.07 graphene-doped PVA/n-Si structures

NASA Astrophysics Data System (ADS)

Altındal Yerişkin, S.; Balbaşı, M.; Demirezen, S.

2017-04-01

In this study, Au/0.07 graphene-doped PVA/n-Si structures were fabricated and current conduction mechanism in these structures were investigated in the temperature range of 80-380 K through forward bias current-voltage ( I- V) measurements. Main electrical parameters were extracted from I-V data. Zero-bias barrier height (\\overline{Φ}_{B0}) and ideality factor (n) were found strong functions of temperature and their values ranged from 0.234 eV and 4.98 (at 80 K) to 0.882 eV and 1.15 (at 380 K), respectively. Φ ap versus q/2k T plot was drawn to obtain an evidence of a Gaussian distribution of the barrier heights (BHs) and it revealed two distinct linear regions with different slopes and intercepts. The mean values of BH ( Φ Bo) and zero-bias standard deviation (σ s ) were obtained from the intercept and slope of the linear regions of this plot as 1.30 eV and 0.16 V for the first region (280-380 K) and 0.74 eV and 0.085 V for the second region (80-240 K), respectively. Thus, the values of \\overline{Φ}_{B0} and effective Richardson constant ( A*) were also found from the intercept and slope of the modified Richardson plot [ln( I s /T 2) - q 2 σ o 2 /2k 2 T 2 vs q/ kT] as 1.31 eV and 130 A/cm2 K2 for the first region and 0.76 eV and 922 A/cm2 K2 for the second region, respectively. The value of A* for the first region was very close to the theoretical value for n-Si (112 A/cm2 K2). The energy density distribution profile of surface states (Nss) was also extracted from the forward bias I-V data by taking into account voltage dependent effective BH (Φe) and n.

Schottky barrier diode based on β-Ga2O3 (100) single crystal substrate and its temperature-dependent electrical characteristics

NASA Astrophysics Data System (ADS)

He, Qiming; Mu, Wenxiang; Dong, Hang; Long, Shibing; Jia, Zhitai; Lv, Hangbing; Liu, Qi; Tang, Minghua; Tao, Xutang; Liu, Ming

2017-02-01

The Pt/β-Ga2O3 Schottky barrier diode and its temperature-dependent current-voltage characteristics were investigated for power device application. The edge-defined film-fed growth (EFG) technique was utilized to grow the (100)-oriented β-Ga2O3 single crystal substrate that shows good crystal quality characterized by X-ray diffraction and high resolution transmission electron microscope. Ohmic and Schottky electrodes were fabricated by depositing Ti and Pt metals on the two surfaces, respectively. Through the current-voltage (I-V) measurement under different temperature and the thermionic emission modeling, the fabricated Pt/β-Ga2O3 Schottky diode was found to show good performances at room temperature, including rectification ratio of 1010, ideality factor (n) of 1.1, Schottky barrier height (ΦB) of 1.39 eV, threshold voltage (Vbi) of 1.07 V, ON-resistance (RON) of 12.5 mΩ.cm2, forward current density at 2 V (J@2V) of 56 A/cm2, and saturation current density (J0) of 2 × 10-16 A/cm2. The effective donor concentration Nd - Na was calculated to be about 2.3 × 1014 cm3. Good temperature dependent performance was also found in the device. The Schottky barrier height was estimated to be about 1.3 eV-1.39 eV at temperatures ranging from room temperature to 150 °C. With increasing temperature, parameters such as RON and J@2V become better, proving that the diode can work well at high temperature. The EFG grown β-Ga2O3 single crystal is a promising material to be used in the power devices.

Controlling potential barrier height by changing V-shaped pit size and the effect on optical and electrical properties for InGaN/GaN based light-emitting diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Okada, Narihito, E-mail: nokada@yamaguchi-u.ac.jp; Kashihara, Hiroyuki; Sugimoto, Kohei

2015-01-14

The internal quantum efficiency (IQE) of InGaN/GaN multiple quantum wells (MQWs) with blue light emission was improved by inserting an InGaN/GaN superlattice (SL) beneath the MQWs. While the SL technique is useful for improving the light-emitting diode (LED) performance, its effectiveness from a multilateral point of view requires investigation. V-shaped pits (V-pits), which generate a potential barrier and screen the effect of the threading dislocation, are one of the candidates for increasing the light emission efficiency of LEDs exceptionally. In this research, we investigated the relationship between the V-pit and SL and revealed that the V-pit diameter is strongly correlatedmore » with the IQE by changing the number of SL periods. Using scanning near-field optical microscopy and photoluminescence measurements, we demonstrated the distinct presence of the potential barrier formed by the V-pits around the dislocations. The relationship between the V-pit and the number of SL periods resulted in changing the potential barrier height, which is related to the V-pit diameter determined by the number of SL periods. In addition, we made an attempt to insert pit expansion layers (PELs) composed of combination of SL and middle temperature grown GaN layer instead of only SL structure. As a result of the evaluation of LEDs using SL or PEL, the EL intensity was strongly related to pit diameter regardless of the structures to form the V-pits. In addition, it was clear that larger V-pits reduce the efficiency droop, which is considered to be suppression of the carrier loss at high injection current.« less

Multi-component fluid flow through porous media by interacting lattice gas computer simulation

NASA Astrophysics Data System (ADS)

Cueva-Parra, Luis Alberto

In this work we study structural and transport properties such as power-law behavior of trajectory of each constituent and their center of mass, density profile, mass flux, permeability, velocity profile, phase separation, segregation, and mixing of miscible and immiscible multicomponent fluid flow through rigid and non-consolidated porous media. The considered parameters are the mass ratio of the components, temperature, external pressure, and porosity. Due to its solid theoretical foundation and computational simplicity, the selected approaches are the Interacting Lattice Gas with Monte Carlo Method (Metropolis Algorithm) and direct sampling, combined with particular collision rules. The percolation mechanism is used for modeling initial random porous media. The introduced collision rules allow to model non-consolidated porous media, because part of the kinetic energy of the fluid particles is transfered to barrier particles, which are the components of the porous medium. Having gained kinetic energy, the barrier particles can move. A number of interesting results are observed. Some findings include, (i) phase separation in immiscible fluid flow through a medium with no barrier particles (porosity p P = 1). (ii) For the flow of miscible fluids through rigid porous medium with porosity close to percolation threshold (p C), the flux density (measure of permeability) shows a power law increase ∝ (pC - p) mu with mu = 2.0, and the density profile is found to decay with height ∝ exp(-mA/Bh), consistent with the barometric height law. (iii) Sedimentation and driving of barrier particles in fluid flow through non-consolidated porous medium. This study involves developing computer simulation models with efficient serial and parallel codes, extensive data analysis via graphical utilities, and computer visualization techniques.

Perceived barriers to weight maintenance among university students in Kuwait: the role of gender and obesity.

PubMed

Musaiger, Abdulrahman O; Al-Kandari, Fawzia I; Al-Mannai, Mariam; Al-Faraj, Alaa M; Bouriki, Fajer A; Shehab, Fatima S; Al-Dabous, Lulwa A; Al-Qalaf, Wassin B

2014-05-01

To investigate the barriers to weight maintenance among university students in Kuwait by gender and obesity. A sample of 530 students was selected at convenience from four universities in Kuwait (2 public and 2 private). The age of students ranged from 19 to 26 years. A self-reported pretested questionnaire was used to obtain the barriers, which were divided into barriers to healthy eating and barriers to physical activity. Weight and height were based on self-reporting, and the students were grouped into non-obese and obese according to the WHO classification. The response options to barriers were: very important, somewhat important and not important. The main barriers to healthy eating for both genders were: "Do not have skills to plan, shop for, prepare or cook healthy foods" and "Not having time to prepare or eat healthy food". In general, there were no significant differences between men and women in barriers to healthy eating. There were highly significant differences between men and women regarding barriers to physical activity (P values ranged from <0.001 to <0.016). "Not having time to be physically active" and "The climate is not suitable for practising exercise" were the main barriers reported. Obese men were more likely to face barriers to healthy eating than non-obese men. There were no significant differences between obese and non-obese women regarding barriers to healthy eating and physical activity. The findings of this study can be utilized in intervention activities to promote a healthy lifestyle and to combat obesity in Kuwait, and maybe in other Arab countries.

New Global Calculation of Nuclear Masses and Fission Barriers for Astrophysical Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moeller, P.; Sierk, A. J.; Bengtsson, R.

The FRDM(1992) mass model [1] has an accuracy of 0.669 MeV in the region where its parameters were determined. For the 529 masses that have been measured since, its accuracy is 0.46 MeV, which is encouraging for applications far from stability in astrophysics. We are developing an improved mass model, the FRDM(2008). The improvements in the calculations with respect to the FRDM(1992) are in two main areas. (1) The macroscopic model parameters are better optimized. By simulation (adjusting to a limited set of now known nuclei) we can show that this actually makes the results more reliable in new regionsmore » of nuclei. (2) The ground-state deformation parameters are more accurately calculated. We minimize the energy in a four-dimensional deformation space ({epsilon}{sub 2}, {epsilon}{sub 3}, {epsilon}{sub 4}, {epsilon}{sub 6},) using a grid interval of 0.01 in all 4 deformation variables. The (non-finalized) FRDM (2008-a) has an accuracy of 0.596 MeV with respect to the 2003 Audi mass evaluation before triaxial shape degrees of freedom are included (in progress). When triaxiality effects are incorporated preliminary results indicate that the model accuracy will improve further, to about 0.586 MeV.We also discuss very large-scale fission-barrier calculations in the related FRLDM (2002) model, which has been shown to reproduce very satisfactorily known fission properties, for example barrier heights from {sup 70}Se to the heaviest elements, multiple fission modes in the Ra region, asymmetry of mass division in fission and the triple-humped structure found in light actinides. In the superheavy region we find barriers consistent with the observed half-lives. We have completed production calculations and obtain barrier heights for 5254 nuclei heavier than A = 170 for all nuclei between the proton and neutron drip lines. The energy is calculated for 5009325 different shapes for each nucleus and the optimum barrier between ground state and separated fragments is determined by use of an ''immersion'' technique.« less

XBeach-G: a tool for predicting gravel barrier response to extreme storm conditions

NASA Astrophysics Data System (ADS)

Masselink, Gerd; Poate, Tim; McCall, Robert; Roelvink, Dano; Russell, Paul; Davidson, Mark

2014-05-01

Gravel beaches protect low-lying back-barrier regions from flooding during storm events and their importance to society is widely acknowledged. Unfortunately, breaching and extensive storm damage has occurred at many gravel sites and this is likely to increase as a result of sea-level rise and enhanced storminess due to climate change. Limited scientific guidance is currently available to provide beach managers with operational management tools to predict the response of gravel beaches to storms. The New Understanding and Prediction of Storm Impacts on Gravel beaches (NUPSIG) project aims to improve our understanding of storm impacts on gravel coastal environments and to develop a predictive capability by modelling these impacts. The NUPSIG project uses a 5-pronged approach to address its aim: (1) analyse hydrodynamic data collected during a proto-type laboratory experiment on a gravel beach; (2) collect hydrodynamic field data on a gravel beach under a range of conditions, including storm waves with wave heights up to 3 m; (3) measure swash dynamics and beach response on 10 gravel beaches during extreme wave conditions with wave heights in excess of 3 m; (4) use the data collected under 1-3 to develop and validate a numerical model to model hydrodynamics and morphological response of gravel beaches under storm conditions; and (5) develop a tool for end-users, based on the model formulated under (4), for predicting storm response of gravel beaches and barriers. The aim of this presentation is to present the key results of the NUPSIG project and introduce the end-user tool for predicting storm response on gravel beaches. The model is based on the numerical model XBeach, and different forcing scenarios (wave and tides), barrier configurations (dimensions) and sediment characteristics are easily uploaded for model simulations using a Graphics User Interface (GUI). The model can be used to determine the vulnerability of gravel barriers to storm events, but can also be used to help optimise design criteria for gravel barriers to reduce their vulnerability and enhance their coastal protection ability.

Spontaneous recovery of superhydrophobicity on nanotextured surfaces

PubMed Central

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

Metal diffusion barriers for GaAs solar cells.

PubMed

van Leest, R H; Mulder, P; Bauhuis, G J; Cheun, H; Lee, H; Yoon, W; van der Heijden, R; Bongers, E; Vlieg, E; Schermer, J J

2017-03-15

In this study accelerated ageing testing (AAT), J-V characterization and TEM imaging in combination with phase diagram data from literature are used to assess the potential of Ti, Ni, Pd and Pt as diffusion barriers for Au/Cu-based metallization of III-V solar cells. Ni barriers show the largest potential as at an AAT temperature of 250 °C both cells with 10 and 100 nm thick Ni barriers show significantly better performance compared to Au/Cu cells, with the cells with 10 nm Ni barriers even showing virtually no degradation after 7.5 days at 250 °C (equivalent to 10 years at 100 °C at an E a of 0.70 eV). Detailed investigation shows that Ni does not act as a barrier in the classical sense, i.e. preventing diffusion of Cu and Au across the barrier. Instead Ni modifies or slows down the interactions taking place during device degradation and thus effectively acts as an 'interaction' barrier. Different interactions occur at temperatures below and above 250 °C and for thin (10 nm) and thick (100 nm) barriers. The results of this study indicate that 10-100 nm thick Ni intermediate layers in the Cu/Au based metallization of III-V solar cells may be beneficial to improve the device stability upon exposure to elevated temperatures.

β-1,3/1,6-Glucan alleviated intestinal mucosal barrier impairment of broiler chickens challenged with Salmonella enterica serovar Typhimurium.

PubMed

Shao, Yujing; Guo, Yuming; Wang, Zhong

2013-07-01

This study investigated the protective effect of β-1,3/1,6-glucan on gut morphology, intestinal epithelial tight junctions, and bacterial translocation of broiler chickens challenged with Salmonella enterica serovar Typhimurium. Ninety Salmonella-free Arbor Acre male broiler chickens were randomly divided into 3 groups: negative control group (NC), Salmonella Typhimurium-infected positive group (PC), and the Salmonella Typhimurium-infected group with dietary 100 mg/kg of β-1,3/1,6-glucan supplementation (T) to determine the effect of β-1,3/1,6-glucan on intestinal barrier function. Salmonella Typhimurium challenge alone significantly decreased villus height (P < 0.001), villus height/crypt depth ratio (P < 0.05), and the number of goblet cells (P < 0.001) in the jejunum at 14 d postinfection (dpi), but significantly increased the number of intestinal secretory IgA (sIgA)-expressing cells at 14 dpi (P < 0.01) and total sIgA levels in the jejunum at 7 (P < 0.05) and 14 dpi (P < 0.01) compared with the unchallenged birds (NC). Dietary β-1,3/1,6-glucan supplementation not only significantly increased villus height, villus height/crypt depth ratio, and the number of goblet cells (P < 0.01), but also increased the number of sIgA-expressing cells (P < 0.05) and sIgA content in the jejunum at 14 dpi (P < 0.01) in birds challenged with Salmonella Typhimurium in comparison with Salmonella Typhimurium challenge alone. β-1,3/1,6-Glucan addition had significant inhibitory effects (P < 0.05) on cecal Salmonella colonization levels and liver Salmonella invasion of the Salmonella Typhimurium-infected birds compared with the PC group. Intestinal tight junction proteins claudin-1, claudin-4, and occludin mRNA expression in the jejunum at 14 dpi was significantly decreased by Salmonella Typhimurium challenge alone (P < 0.01) compared with that of the NC group, whereas β-1,3/1,6-glucan supplementation significantly increased claudin-1 and occludin mRNA expression (P < 0.01) at 14 dpi in the jejunum of the Salmonella Typhimurium-infected birds in comparison with the PC group. Our results indicate that dietary β-1,3/1,6-glucan can alleviate intestinal mucosal barrier impairment in broiler chickens challenged with Salmonella Typhimurium.

Quantitatively probing propensity for structural transitions in engineered virus nanoparticles by single-molecule mechanical analysis

NASA Astrophysics Data System (ADS)

Castellanos, Milagros; Carrillo, Pablo J. P.; Mateu, Mauricio G.

2015-03-01

Viruses are increasingly being studied from the perspective of fundamental physics at the nanoscale as biologically evolved nanodevices with many technological applications. In viral particles of the minute virus of mice (MVM), folded segments of the single-stranded DNA genome are bound to the capsid inner wall and act as molecular buttresses that increase locally the mechanical stiffness of the particle. We have explored whether a quantitative linkage exists in MVM particles between their DNA-mediated stiffening and impairment of a heat-induced, virus-inactivating structural change. A series of structurally modified virus particles with disrupted capsid-DNA interactions and/or distorted capsid cavities close to the DNA-binding sites were engineered and characterized, both in classic kinetics assays and by single-molecule mechanical analysis using atomic force microscopy. The rate constant of the virus inactivation reaction was found to decrease exponentially with the increase in elastic constant (stiffness) of the regions closer to DNA-binding sites. The application of transition state theory suggests that the height of the free energy barrier of the virus-inactivating structural transition increases linearly with local mechanical stiffness. From a virological perspective, the results indicate that infectious MVM particles may have acquired the biological advantage of increased survival under thermal stress by evolving architectural elements that rigidify the particle and impair non-productive structural changes. From a nanotechnological perspective, this study provides proof of principle that determination of mechanical stiffness and its manipulation by protein engineering may be applied for quantitatively probing and tuning the conformational dynamics of virus-based and other protein-based nanoassemblies.Viruses are increasingly being studied from the perspective of fundamental physics at the nanoscale as biologically evolved nanodevices with many technological applications. In viral particles of the minute virus of mice (MVM), folded segments of the single-stranded DNA genome are bound to the capsid inner wall and act as molecular buttresses that increase locally the mechanical stiffness of the particle. We have explored whether a quantitative linkage exists in MVM particles between their DNA-mediated stiffening and impairment of a heat-induced, virus-inactivating structural change. A series of structurally modified virus particles with disrupted capsid-DNA interactions and/or distorted capsid cavities close to the DNA-binding sites were engineered and characterized, both in classic kinetics assays and by single-molecule mechanical analysis using atomic force microscopy. The rate constant of the virus inactivation reaction was found to decrease exponentially with the increase in elastic constant (stiffness) of the regions closer to DNA-binding sites. The application of transition state theory suggests that the height of the free energy barrier of the virus-inactivating structural transition increases linearly with local mechanical stiffness. From a virological perspective, the results indicate that infectious MVM particles may have acquired the biological advantage of increased survival under thermal stress by evolving architectural elements that rigidify the particle and impair non-productive structural changes. From a nanotechnological perspective, this study provides proof of principle that determination of mechanical stiffness and its manipulation by protein engineering may be applied for quantitatively probing and tuning the conformational dynamics of virus-based and other protein-based nanoassemblies. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr07046a

The impact of small irrigation diversion dams on the recent migration rates of steelhead and redband trout (Oncorhynchus mykiss)

USGS Publications Warehouse

Weigel, Dana E.; Connolly, Patrick J.; Powell, Madison S.

2013-01-01

Barriers to migration are numerous in stream environments and can occur from anthropogenic activities (such as dams and culverts) or natural processes (such as log jams or dams constructed by beaver (Castor canadensis)). Identification of barriers can be difficult when obstructions are temporary or incomplete providing passage periodically. We examine the effect of several small irrigation diversion dams on the recent migration rates of steelhead (Oncorhynchus mykiss) in three tributaries to the Methow River, Washington. The three basins had different recent migration patterns: Beaver Creek did not have any recent migration between sites, Libby Creek had two-way migration between sites and Gold Creek had downstream migration between sites. Sites with migration were significantly different from sites without migration in distance, number of obstructions, obstruction height to depth ratio and maximum stream gradient. When comparing the sites without migration in Beaver Creek to the sites with migration in Libby and Gold creeks, the number of obstructions was the only significant variable. Multinomial logistic regression identified obstruction height to depth ratio and maximum stream gradient as the best fitting model to predict the level of migration among sites. Small irrigation diversion dams were limiting population interactions in Beaver Creek and collectively blocking steelhead migration into the stream. Variables related to stream resistance (gradient, obstruction number and obstruction height to depth ratio) were better predictors of recent migration rates than distance, and can provide important insight into migration and population demographic processes in lotic species.

Debris flow runup on vertical barriers and adverse slopes

USGS Publications Warehouse

Iverson, Richard M.; George, David L.; Logan, Matthew

2016-01-01

Runup of debris flows against obstacles in their paths is a complex process that involves profound flow deceleration and redirection. We investigate the dynamics and predictability of runup by comparing results from large-scale laboratory experiments, four simple analytical models, and a depth-integrated numerical model (D-Claw). The experiments and numerical simulations reveal the important influence of unsteady, multidimensional flow on runup, and the analytical models highlight key aspects of the underlying physics. Runup against a vertical barrier normal to the flow path is dominated by rapid development of a shock, or jump in flow height, associated with abrupt deceleration of the flow front. By contrast, runup on sloping obstacles is initially dominated by a smooth flux of mass and momentum from the flow body to the flow front, which precedes shock development and commonly increases the runup height. D-Claw simulations that account for the emergence of shocks show that predicted runup heights vary systematically with the adverse slope angle and also with the Froude number and degree of liquefaction (or effective basal friction) of incoming flows. They additionally clarify the strengths and limitations of simplified analytical models. Numerical simulations based on a priori knowledge of the evolving dynamics of incoming flows yield quite accurate runup predictions. Less predictive accuracy is attained in ab initio simulations that compute runup based solely on knowledge of static debris properties in a distant debris flow source area. Nevertheless, the paucity of inputs required in ab initio simulations enhances their prospective value in runup forecasting.

Systematic study on the isotopic behavior of fusion barrier using the density-dependent nucleon-nucleon interactions

NASA Astrophysics Data System (ADS)

Ghodsi, O. N.; Khalaj, M.

By changing the neutron and nuclear matter incompressibility constant K, we investigate the isotopic behavior of the fusion barriers for the collision of large number of different isotopes with condition of 0.7 ≤ N/Z ≤ 1.36. Here, the double folding (DF) model which is accompanied by density-dependent (DD) versions of M3Y interactions is adopted as a basic heavy ion-ion potential. We show that the selected DD potentials predict a linear behavior for the calculated fusion barrier heights as a function of (N/Z - 1) for both proton- and neutron-rich systems. Moreover, the results indicate that the isotopic behavior of these values depend linearly on the change in the K constant. The isotopic studies conducted on the fusion cross-section also shows that the properties of the nuclear matter in the range of energy which is below the fusion barrier will quite affect the fusion process.

Electrical valley filtering in transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Hsieh, Tzu-Chi; Chou, Mei-Yin; Wu, Yu-Shu

2018-03-01

This work investigates the feasibility of electrical valley filtering for holes in transition metal dichalcogenides. We look specifically into the scheme that utilizes a potential barrier to produce valley-dependent tunneling rates, and perform the study with both a k .p -based analytic method and a recursive Green's function-based numerical method. The study yields the transmission coefficient as a function of incident energy and transverse wave vector, for holes going through lateral quantum barriers oriented in either armchair or zigzag directions, in both homogeneous and heterogeneous systems. The main findings are the following: (1) The tunneling current valley polarization increases with increasing barrier width or height; (2) both the valley-orbit interaction and band structure warping contribute to valley-dependent tunneling, with the former contribution being manifest in structures with asymmetric potential barriers, and the latter being orientation dependent and reaching maximum for transmission in the armchair direction; and (3) for transmission ˜0.1 , a tunneling current valley polarization of the order of 10 % can be achieved.

Characterization and Modeling Analysis for Metal-Semiconductor-Metal GaAs Diodes with Pd/SiO2 Mixture Electrode

PubMed Central

Tan, Shih-Wei; Lai, Shih-Wen

2012-01-01

Characterization and modeling of metal-semiconductor-metal (MSM) GaAs diodes using to evaporate SiO2 and Pd simultaneously as a mixture electrode (called M-MSM diodes) compared with similar to evaporate Pd as the electrode (called Pd-MSM diodes) were reported. The barrier height (φ b) and the Richardson constant (A*) were carried out for the thermionic-emission process to describe well the current transport for Pd-MSM diodes in the consideration of the carrier over the metal-semiconductor barrier. In addition, in the consideration of the carrier over both the metal-semiconductor barrier and the insulator-semiconductor barrier simultaneously, thus the thermionic-emission process can be used to describe well the current transport for M-MSM diodes. Furthermore, in the higher applied voltage, the carrier recombination will be taken into discussion. Besides, a composite-current (CC) model is developed to evidence the concepts. Our calculated results are in good agreement with the experimental ones. PMID:23226352

Electronic transport in armchair graphene nanoribbon under double magnetic barrier modulation

NASA Astrophysics Data System (ADS)

Wang, Haiyan; Wu, Chao; Xie, Fang; Zhang, Xiaojiao; Zhou, Guanghui

2018-03-01

We present a theoretical investigation of the transport properties and the magnetoresistance effect in armchair graphene nanoribbons (AGNRs) under modulation by two magnetic barriers. The energy levels are found to be degenerate for a metallic AGNR but are not degenerate for a semiconducting AGNR. However, the conductance characteristics show quantized plateaus in both the metallic and semiconducting cases. When the magnetization directions of the barriers change from parallel to antiparallel, the conductance plateau in the metallic AGNR shows a degenerate feature due to matching between the transport modes in different regions. As the barrier height increases, the conductance shows more oscillatory behavior with sharp peaks and troughs. Specifically, the initial position of nonzero conductance for the metallic AGNR system moves towards a higher energy regime, which indicates that an energy gap has been opened. In addition, the magnetoresistance ratio also shows plateau structures in certain specific energy regions. These results may be useful in the design of electron devices based on AGNR nanostructures.

Mechanism of nucleation and growth of catalyst-free self-organized GaN columns by MOVPE

NASA Astrophysics Data System (ADS)

Wang, Xue; Li, Shunfeng; Fündling, Sönke; Wehmann, Hergo-H.; Strassburg, Martin; Lugauer, Hans-Jürgen; Steegmüller, Ulrich; Waag, Andreas

2013-05-01

The growth mechanism of catalyst-free self-organized GaN nuclei and three-dimensional columns on sapphire by metal organic vapour phase epitaxy (MOVPE) is investigated. Temperature- and time-dependent growth is performed. The growth behaviour can be characterized by two different kinetic regimes: mass-transport-limited growth and thermodynamically limited growth. The sum of activation energies for thermodynamic barrier of nucleation and for surface diffusion/mass-transport limitation, i.e. Whet +Ed, is 0.57 eV in the ‘low’-temperature region and 2.43 eV in the ‘high’-temperature region. GaN columns grown under the same conditions have very comparable height, which is not dependent on their diameter or the distance to other columns. Therefore, the growth rate is presumably limited by the incorporation rate on the top surface of columns. The height and diameter at the top of the GaN columns increase linearly with time and no height limit is observed. The GaN columns can reach more than 40 µm in height. Moreover, the investigated GaN columns are Ga-polar.

Self-Energy in the Gott-Hiscock Space-Time

NASA Astrophysics Data System (ADS)

Khusnutdinov, Nail R.; Bezerra, Valdir B.

We calculate the self-energy for an electrically charged particle at rest in the background of Gott-Hiscock cosmic string space-time. The self-energy continuously falls down out-ward from string's with maximum at the origin of the string. The plots of the numerical of the self-energy and the height of barrier are shown.

Magnetic noise as the cause of the spontaneous magnetization reversal of RE–TM–B permanent magnets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dmitriev, A. I., E-mail: aid@icp.ac.ru; Talantsev, A. D., E-mail: artgtx32@mail.ru; Kunitsyna, E. I.

2016-08-15

The relation between the macroscopic spontaneous magnetization reversal (magnetic viscosity) of (NdDySm)(FeCo)B alloys and the spectral characteristics of magnetic noise, which is caused by the random microscopic processes of thermally activated domain wall motion in a potential landscape with uniformly distributed potential barrier heights, is found.

Supersonic Jump

ERIC Educational Resources Information Center

Muller, Andreas

2013-01-01

On October 14,2012, Felix Baumgartner, an Austrian sky-diver, set some new world records for his discipline. Jumping from a height of about 39 km, he reached a top speed of 1342 km/h, becoming the first human being to break the sound barrier in free fall. In order to understand some essential physics aspects of this remarkable feat, we wonder why…

3 CFR 8366 - Proclamation 8366 of April 28, 2009. National Equal Pay Day, 2009

Code of Federal Regulations, 2010 CFR

2010-01-01

... earned—is not possible. This problem is particularly dire for women who are single and the sole... genetics and earned a Nobel Prize. These and countless other women have broken barriers and changed the course of our history, allowing women and men who followed them the opportunity to reach greater heights...