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We report on temperature dependence on the drive current as well as long-term effects of annealing in vertical InAs nanowire Field-Effect Transistors. Negatively charged traps in the HfO2 gate dielectric are suggested as one major factor in explaining the effects observed in the transistor characteristics. An energy barrier may be correlated with an un-gated InAs nanowire region covered with HfO2 and the effects of annealing may be explained by changed charging on defects in the oxide. Initial simulations confirm the general effects on the I-V characteristics by including fixed charge. (c) 2011 Elsevier B.V. All rights reserved.

Understanding protein structure is of crucial importance in science, medicine and biotechnology. For about two decades, knowledge based potentials based on pairwise distances -- so-called "potentials of mean force" (PMFs) -- have been center stage in the prediction and design of protein structure and the simulation of protein folding. However, the validity, scope and limitations of these potentials are still vigorously debated and disputed, and the optimal choice of the reference state -- a necessary component of these potentials -- is an unsolved problem. PMFs are loosely justified by analogy to the reversible work theorem in statistical physics, or by a statistical argument based on a likelihood function. Both justifications are insightful but leave many questions unanswered. Here, we show for the first time that PMFs can be seen as approximations to quantities that do have a rigorous probabilistic justification: they naturally arise when probability distributions over different features of proteins need to be combined. We call these quantities reference ratio distributions deriving from the application of the reference ratio method. This new view is not only of theoretical relevance, but leads to many insights that are of direct practical use: the reference state is uniquely defined and does not require external physical insights; the approach can be generalized beyond pairwise distances to arbitrary features of protein structure; and it becomes clear for which purposes the use of these quantities is justified. We illustrate these insights with two applications, involving the radius of gyration and hydrogen bonding. In the latter case, we also show how the reference ratio method can be iteratively applied to sculpt an energy funnel. Our results considerably increase the understanding and scope of energy functions derived from known biomolecular structures.

We report on RF characterization of vertical, 100-nm-gate length InAs nanowire MOSFETs, utilizing wrap-gate technology and Al 2 O 3 high-K gate oxide. The transistors show f t =5.6 GHz and f max =22 GHz, mainly limited by parasitic capacitances. The RF device performance is described using a hybrid-π model taking hole generation at the drain into account. Electrostatic modeling of the parasitic capacitances for arrays of vertical nanowires indicates that a strong reduction in extrinsic capacitances can be achieved for devices with a small inter-wire separation.

FF domains are poorly understood protein interaction modules that are present within eukaryotic transcription factors, such as CA150 (TCERG-1). The CA150 FF domains have been shown to mediate interactions with the phosphorylated C-terminal domain of RNA polymerase II (phosphoCTD) and a multitude of transcription factors and RNA processing proteins, and may therefore have a central role in organizing transcription. FF domains occur in tandem arrays of up to six domains, although it is not known whether they adopt higher-order structures. We have used the CA150 FF1 + FF2 domains as a model system to examine whether tandem FF domains form higher-order structures in solution using NMR spectroscopy. In the solution structure of FF1 fused to the linker that joins FF1 to FF2, we observed that the highly conserved linker peptide is ordered and forms a helical extension of helix α3, suggesting that the interdomain linker might have a role in orientating FF1 relative to FF2. However, examination of the FF1 + FF2 domains using relaxation NMR experiments revealed that although these domains are not rigidly orientated relative to one another, they do not tumble independently. Thus, the FF1 + FF2 structure conforms to a dumbbell-shape in solution, where the helical interdomain linker maintains distance between the two dynamic FF domains without cementing their relative orientations. This model for FF domain organization within tandem arrays suggests a general mechanism by which individual FF domains can manoeuvre to achieve optimal recognition of flexible binding partners, such as the intrinsically-disordered phosphoCTD.

Regulation of biological processes often involves phosphorylation of intrinsically disordered protein regions, thereby modulating protein interactions. Initiation of DNA replication in yeast requires elimination of the cyclin-dependent kinase inhibitor Sic1 via the SCF Cdc4 ubiquitin ligase. Intriguingly, the substrate adapter subunit Cdc4 binds to Sic1 only after phosphorylation of a minimum of any six of the nine cyclin-dependent kinase sites on Sic1. To investigate the physical basis of this ultrasensitive interaction, we consider a mean-field statistical mechanical model for the electrostatic interactions between a single receptor site and a conformationally disordered polyvalent ligand. The formulation treats phosphorylation sites as negative contributions to the total charge of the ligand and addresses its interplay with the strength of the favorable ligand–receptor contact. Our model predicts a threshold number of phosphorylation sites for receptor–ligand binding, suggesting that ultrasensitivity in the Sic1–Cdc4 system may be driven at least in part by cumulative electrostatic interactions. This hypothesis is supported by experimental affinities of Cdc4 for Sic1 fragments with different total charges. Thus, polyelectrostatic interactions may provide a simple yet powerful framework for understanding the modulation of protein interactions by multiple phosphorylation sites in disordered protein regions.

III–V nanoscale devices were monolithically integrated on silicon-on-insulator (SOI) substrates by template-assisted selective epitaxy (TASE) using metal organic chemical vapor deposition. Single crystal III–V (InAs, InGaAs, GaAs) nanostructures, such as nanowires, nanostructures containing constrictions, and cross junctions, as well as 3D stacked nanowires were directly obtained by epitaxial filling of lithographically defined oxide templates. The benefit of TASE is exemplified by the straightforward fabrication of nanoscale Hall structures as well as multiple gate field effect transistors (MuG-FETs) grown co-planar to the SOI layer. Hall measurements on InAs nanowire cross junctions revealed an electron mobility of 5400 cm2/V s, while the alongside fabricated InAs MuG-FETs with ten 55 nm wide, 23 nm thick, and 390 nm long channels exhibit an on current of 660 μA/μm and a peak transconductance of 1.0 mS/μm at VDS = 0.5 V. These results demonstrate TASE as a promising fabrication approach for heterogeneou...

A comprehensive investigation of InAs epitaxy on silicon using template-assisted selective epitaxy is presented. The variation in axial growth rate of InAs nanowires inside oxide nanotube templates is studied as function of nanotube diameter (20–140 nm), growth time (0–30 min), growth temperature (520–580 °C), V/III ratio (40–160), nanotube spacing (300–2000 nm), and substrate crystal orientation. It is found that the effective V/III ratio is reduced at least by a factor of two within the nanotube templates compared to the outside, detectable by changes in the growth facet morphology. The reduced V/III ratio originates from the different transport mechanisms for the As and In precursor species; As and In species are both transported by Knudsen diffusion in the vapor, but an additional contribution of In surface diffusion reduces the V/III ratio. The results reveal the interplay of growth parameters, crystal facets and template geometry and thus are generally applicable for nanoscale selective epitaxy.

Using core-level spectroscopy and density functional theory we show that a one-dimensional (1D) oxide structure forms at the steps of the Pt(332) surface after exposure. The 1D oxide is found to be stable in an oxygen pressure range, where bulk oxides are only metastable, and is therefore argued to be a precursor to the Pt oxidation. As an example of the consequences of such a precursor exclusively present at the steps, we investigate the reaction of CO with oxygen covered Pt(332). Albeit more strongly bound, the oxidic oxygen is found to react more easily with CO than oxygen chemisorbed on the Pt terraces.

The initial oxidation of Rh(100) has been studied using high resolution core level spectroscopy, low energy electron diffraction, surface x-ray diffraction, scanning tunneling microscopy, and density functional theory. We report a structural study of an oxygen induced structure displaying a c(8x2) periodicity at an oxygen pressure above 10(-5) mbar and using a sample temperature of 700 K. Our experimental and theoretical data demonstrate that this structure is due to the formation of a thin surface oxide with a hexagonal trilayer O-Rh-O structure.

The surface core-level shifts of Al(111) and Al(100) have been measured using high-resolution core-level photoemission spectroscopy and calculated using density functional theory (DFT). For Al(100), the 2p core-level shift of the first (second) layer was determined to be –75 meV (+20 meV) from experiment and –71 meV (+20 meV) from the DFT calculations. For Al(111), the corresponding values are –27 meV (0 meV) from experiment and –14 meV (–) from the DFT calculations. Core-level splittings caused by the low-symmetry crystal fields at the (111) and (100) surfaces have also been studied. These splittings turn out to be much smaller than previously reported provided proper care is taken of the influence of the core hole screening and of core–valence exchange beyond the DFT level. Finally, the experimental Al 2p line shape was found to contain structure caused by a sharp no-phonon line and a broad and weak phonon replica. (Less)

A new O induced structure on Rh(111) displaying a (2 sqaureroot[3] x 2sqaureroot[3])R30 degrees periodicity with an oxygen coverage of 2/3 has been studied by high resolution core level spectroscopy, scanning tunneling microscopy, and density functional theory. Although O favors fcc hollow sites in all other known phases, it occupies both fcc and hcp sites in this structure, which cannot be explained by pairwise adsorbate repulsion only. Both the (2sqaureroot[3] x 2sqaureroot[3])R30 degrees and (2 x 2)-3O structures also exemplify that density-of-states contrast can lead to oxygen adatoms appearing as protrusions in scanning tunneling microscopy images.

The oxidation of the Rh(111) surface at oxygen pressures from 10(-10) mbar to 0.5 bar and temperatures between 300 and 900 K has been studied on the atomic scale using a multimethod approach of experimental and theoretical techniques. Oxidation starts at the steps, resulting in a trilayer O-Rh-O surface oxide which, although not thermodynamically stable, prevents further oxidation at intermediate pressures. A thick corundum like Rh2O3 bulk oxide is formed only at significantly higher pressures and temperatures.

Vicinal Rh(111) surfaces are studied with high resolution core level photoemission. We demonstrate the possibility to distinguish between the different kinds of surface atoms on these surfaces by virtue of their 3d core level binding energies. In particular, the low coordinated step atoms are found to exhibit a clear fingerprint in Rh 3d spectra. We demonstrate how this may be used to show that initial oxygen adsorption occurs on the steps and not on the terraces of the vicinal surfaces.

We present extensive density-functional theory (DFT) based calculations of the clean Rh(111) surface and of CO/Rh(111) overlayer systems. We study both ground-state structural properties and core-level shifts from differences in total energies at different coverages and adsorption sites. Most results are obtained using using norm-conserving or ultrasoft pseudopotentials. The overall reliability of the pseudopotential method is analyzed theoretically, and computationally by way of all-electron calculations. In general, core corrections are required in order to correctly simulate all-electron total energies, although the corrections are rather small for the systems considered here. Overall there is a very good agreement both between the pseudopotential and all-electron results as well as with high-resolution experimental spectra. The obtained agreement between theoretical and experimental core-level energies, however, requires that the correct geometrical parameters are used. For instance, inclusion of bucklings of the first Rh layer in the (2x2)-1CO and (root3x3)R30degrees-1CO overlayers is essential. For the overlayers studied here, different competing adsorption sites give almost the same frozen-lattice adsorption energies. However, the C 1s binding energy shows large differences between CO adsorbed in different sites. Thus calculations of the C 1s shifts allow us to predict the adsorption sites despite the small differences in ground-state energies. We also analyze sources of the shifts in terms of differences in Hartree potential and relaxation at different sites. As the DFT core eigenvalue lies above rather than below the core excitation energy some care is required in order to properly identify a relaxation energy in a DFT framework. In order to clarify the question we relate the DFT approach for core energies to approaches based on self-energies or the Hartree-Fock approximation. (Less)

The oxidation of Pd(111) leads to an incommensurate surface oxide, which was studied by the use of scanning tunneling microscopy, surface x-ray diffraction, high resolution core level spectroscopy, and density functional calculations. A combination of these methods reveals a two-dimensional structure having no resemblance to bulk oxides of Pd. Our study also demonstrates how the atomic arrangement of a nontrivial incommensurate surface can be solved by molecular dynamics in a case where experimental techniques alone give no solution.

Temperature dependent electronic properties of GaSb/InAsSb core/shell and GaSb nanowires have been studied. Results from two-probe and four-probe measurements are compared to distinguish between extrinsic (contact-related) and intrinsic (nanowire) properties. It is found that a thin (2-3 nm) InAsSb shell allows low barrier charge carrier injection to the GaSb core, and that the presence of the shell also improves intrinsic nanowire mobility and conductance in comparison to bare GaSb nanowires. Maximum intrinsic field effect mobilities of 200 and 42 cm(2) Vs(-1) were extracted for the GaSb/InAsSb core/shell and bare-GaSb NWs at room temperature, respectively. The temperature-dependence of the mobility suggests that ionized impurity scattering is the dominant scattering mechanism in bare GaSb while phonon scattering dominates in core/shell nanowires. Top-gated field effect transistors were fabricated based on radial GaSb/InAsSb heterostructure nanowires with shell thicknesses in the range 5-7 nm. The fabricated devices exhibited ambipolar conduction, where the output current was studied as a function of AC gate voltage and frequency. Frequency doubling was experimentally demonstrated up to 20 kHz. The maximum operating frequency was limited by parasitic capacitance associated with the measurement chip geometry.

An unusual multilayer surface alloy is formed by adsorption of one monolayer Li on Al(100). It is shown by low energy electron diffraction that the first three layers consist of a mixed Al-Li layer, a pure Al layer, and a second Al-Li layer. Thus the alloy has the same layer stoichiometry as the (100) surface of the metastable Al{sub 3}Li bulk alloy. However, the relative orientation of the two mixed layers is the same as that in the Al{sub 3}Ti -type structure. These findings are confirmed by total-energy calculations, which lead further to the prediction that the bulk Al{sub 3}Li alloy has a faulted, Al{sub 3}Ti -type surface.

Objective: Perfusion-related parameters obtained by intravoxel incoherent motion (IVIM) MR imaging (MRI) were compared with cerebral blood volume and flow (CBV and CBF), retrieved by dynamic susceptibility-contrast (DSC) MRI. Material and Methods: Twenty-eight volunteers (average age 68.5 years) were investigated. Spin-echo echo-planar imaging with IVIM-encoding gradients was employed (36 different b values, 0-1200 s/mm2). The perfusion fraction and the pseudo-diffusion coefficient were calculated for regions in thalamus gray matter and frontal white matter, using asymptotic and full fitting. In DSC-MRI, a Gd-DTPA-BMA contrast-agent bolus was monitored using simultaneous-dual FLASH. Deconvolution of the measured tissue concentration-versus-time curve with an arterial input function from the carotid artery was applied, and maps of CBV and CBF were calculated. Results: The correlation between the perfusion fraction and CBV was r=0.56 ( p Conclusion: The IVIM concept provided results that agreed reasonably with conventional CBV and CBF. The non-linear fitting to noisy signal data was problematic, in accordance with previously presented simulations.

Purpose: the aim of this study was to evaluate any possible effects of brain motion, CSF pulsations and other possible sources of physiological motion in electrocardiographic (ECG) triggered and non-triggered single-shot echo-planar imaging (EPI) measurements of diffusion. Material and Methods: Three different triggering protocols were evaluated in 6 healthy volunteers: 1) ECG triggering with time delay (TD) 100 ms; 2) ECG triggering with TD 400 ms; and 3) no triggering at all. Results: the results obtained showed that white matter mean apparent diffusion coefficient (ADC) values were similar for all triggering protocols and that the reproducibility in ADC measurements using diffusion-weighted (DW) EPI was good. the average standard deviation of the ADC values was, however, higher for ADC maps obtained without ECG triggering. Conclusion: the use of prospective diastolic ECG triggering significantly improves the accuracy of quantitative diffusion measurements but for routine clinical diffusion imaging, where quantitative data is of less importance, the accuracy obtained without ECG triggering can be considered adequate.