Band Offsets at Semiconductor-Oxide Interfaces from Hybrid Density Functional Calculations

Band offsets at semiconductor-oxide interfaces are determined through a scheme based on hybrid density functionals, which incorporate a fraction $\alpha$ of Hartree-Fock exchange. For each bulk component, the fraction $\alpha$ is tuned to reproduce the experimental band gap, and the conduction and valence band edges are then located with respect to a reference level. The lineup of the bulk reference levels is determined through an interface calculation, and shown to be almost independent of the fraction $\alpha$. Application of this scheme to the Si-SiO$_2$, SiC-SiO$_2$, and Si-HfO$_2$ interfaces yields excellent agreement with experiment.Comment: 4 pages, 4 figure

Scaling of the conductance in gold nanotubes

A new form of gold nanobridges has been recently observed in ultrahigh-vacuum experiments, where the gold atoms rearrange to build helical nanotubes, akin in some respects to carbon nanotubes. The good reproducibility of these wires and their unexpected stability will allow for conductance measurements and make them promising candidates for future applications . We present here a study of the transport properties of these nanotubes in order to understand the role of chirality and of the different orbitals in quantum transport observables. The conductance per atomic row shows a light decreasing trend as the diameter grows, which is also shown through an analytical formula based on a one-orbital model.Comment: 5 pages, 6 figure

Spin Asymmetry and Gerasimov-Drell-Hearn Sum Rule for the Deuteron

An explicit evaluation of the spin asymmetry of the deuteron and the associated GDH sum rule is presented which includes photodisintegration, single and double pion and eta production as well. Photodisintegration is treated with a realistic retarded potential and a corresponding meson exchange current. For single pion and eta production the elementary operator from MAID is employed whereas for double pion production an effective Lagrangean approach is used. A large cancellation between the disintegration and the meson production channels yields for the explicit GDH integral a value of 27.31 $\mu$b to be compared to the sum rule value 0.65 $\mu$b.Comment: 4 pages, 5 figures, revtex

Entanglement of two qubits mediated by one-dimensional plasmonic waveguides

We investigate qubit-qubit entanglement mediated by plasmons supported by one-dimensional waveguides. We explore both the situation of spontaneous formation of entanglement from an unentangled state and the emergence of driven steady-state entanglement under continuous pumping. In both cases, we show that large values for the concurrence are attainable for qubit-qubit distances larger than the operating wavelength by using plasmonic waveguides that are currently available.Comment: 4 pages, 4 figures. Minor Changes. Journal Reference added. Highlighted in Physic

Emitters of NN-photon bundles

We propose a scheme based on the coherent excitation of a two-level system in a cavity to generate an ultrabright CW and focused source of quantum light that comes in groups (bundles) of $N$ photons, for an integer $N$ tunable with the frequency of the exciting laser. We define a new quantity, the \emph{purity} of $N$-photon emission, to describe the percentage of photons emitted in bundles, thus bypassing the limitations of Glauber correlation functions. We focus on the case $1\le N\le3$ and show that close to 100% of two-photon emission and 90% of three-photon emission is within reach of state of the art cavity QED samples. The statistics of the bundles emission shows that various regimes---from $N$-photon lasing to $N$-photon guns---can be realized. This is evidenced through generalized correlation functions that extend the standard definitions to the multi-photon level.Comment: Introduce the n-th order N-photon correlation functions. Reorganized to emphasize the N-photon emitter, now extended to the antibunching regime, rather than only coherent emission as previsoul

Multi-technique characterisation of MOVPE-grown GaAs on Si

The heterogeneous integration of III-V materials on a Si CMOS platform offers tremendous prospects for future high speed and low power logic applications. That said this integration generates immense scientific and technological challenges. In this work multi-technique characterisation is used to investigate properties of GaAs layers grown by Metal-Organic Vapour Phase Epitaxy (MOVPE) on Si substrates - (100) with 4⁰ offset towards - under various growth conditions. This being a crucial first step towards the production of III-V template layers with a relatively lower density of defects for selective epitaxial overgrowth of device quality material. The optical and structural properties of heteroepitaxial GaAs are first investigated by micro-Raman spectroscopy and photoluminescence and reflectance measurements. High-resolution X-ray diffraction (HR-XRD) is used to investigate structural properties. Advanced XRD techniques, including double-axis diffraction and X-ray crystallographic mapping are used to evaluate degrees of relaxation and distribution of the grain orientations in the epilayers, respectively. Results obtained from the different methodologies are compared in an attempt to understand growth kinetics of the materials system. The GaAs overlayer grown with annealing at 735⁰C following As predeposition at 500⁰C shows the best crystallinity. Close inspection confirms the growth of epitaxial GaAs preferentially oriented along (100) embedded in a highly-textured polycrystalline structure

Divergence times and the evolutionary radiation of new world monkeys (Platyrrhini, Primates): an analysis of fossil and molecular data

The estimation of phylogenetic relationships and divergence times among a group of organisms is a fundamental first step toward understanding its biological diversification. The time of the most recent or last common ancestor (LCA) of extant platyrrhines is one of the most controversial among scholars of primate evolution. Here we use two molecular based approaches to date the initial divergence of the platyrrhine clade, Bayesian estimations under a relaxed-clock model and substitution rate plus generation time and body size, employing the fossil record and genome datasets. We also explore the robustness of our estimations with respect to changes in topology, fossil constraints and substitution rate, and discuss the implications of our findings for understanding the platyrrhine radiation. Our results suggest that fossil constraints, topology and substitution rate have an important influence on our divergence time estimates. Bayesian estimates using conservative but realistic fossil constraints suggest that the LCA of extant platyrrhines existed at ca. 29 Ma, with the 95% confidence limit for the node ranging from 27-31 Ma. The LCA of extant platyrrhine monkeys based on substitution rate corrected by generation time and body size was established between 21-29 Ma. The estimates based on the two approaches used in this study recalibrate the ages of the major platyrrhine clades and corroborate the hypothesis that they constitute very old lineages. These results can help reconcile several controversial points concerning the affinities of key early Miocene fossils that have arisen among paleontologists and molecular systematists. However, they cannot resolve the controversy of whether these fossil species truly belong to the extant lineages or to a stem platyrrhine clade. That question can only be resolved by morphology. Finally, we show that the use of different approaches and well supported fossil information gives a more robust divergence time estimate of a clade.Facultad de Ciencias Naturales y Muse

Global mean first-passage times of random walks on complex networks

We present a general framework, applicable to a broad class of random walks on complex networks, which provides a rigorous lower bound for the mean first-passage time of a random walker to a target site averaged over its starting position, the so-called global mean first-passage time (GMFPT). This bound is simply expressed in terms of the equilibrium distribution at the target, and implies a minimal scaling of the GMFPT with the network size. We show that this minimal scaling, which can be arbitrarily slow for a proper choice of highly connected target, is realized under the simple condition that the random walk is transient at the target site, and independently of the small-world, scale free or fractal properties of the network. Last, we put forward that the GMFPT to a specific target is not a representative property of the network, since the target averaged GMFPT satisfies much more restrictive bounds, which forbid any sublinear scaling with the network size.Comment: 4 pages, 1 figur

The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry

4-Iodo-N-(4-pyridyl)benzamide (INPBA) and four derived coordination complexes were synthesized in order to explore the combination of halogen and hydrogen bonding interactions in coordination chemistry. An electron-withdrawing carbonyl group attached to the aromatic ring bearing an iodine atom has been introduced to increase its halogen bonding ability. Single crystal X-ray diffraction analyses ofINPBA, [Ag(INPBA)2]NO3(1), [ZnBr2(INPBA)2](2), [Zn(OCOPh)2(INPBA)2](3) and[HgI2(INPBA)]n(4) show the versatility of theINPBAbuilding block yielding a variety of different interesting structures. Iodine atom arrangement plays a key role by reinforcing and extending crystalline structures into diverse 3D supramolecular networksviaI¿O, I¿N, and I¿I halogen bonding interactions. Besides this, the overall supramolecular architecture of the coordination complexes is modulated by the N-H¿O, N-H¿Br, and C-H¿O hydrogen bonds formed by the carboxamide group. The combination of both, halogen and hydrogen bonds, allows very different coordination networks to be designed

Photoproduction of pions and etas in nuclei

We calculate the cross sections for inclusive one-pion, two-pion and eta photoproduction in nuclei in the photon energy range from 300 MeV to 900 MeV within the framework of a semi-classical BUU transport model. Our results are compared with existing experimental data and discussed with respect to a calculation of the total photoabsorption cross section.Comment: 30 pages LaTeX including 13 postscript figure