Formation of a reliable intermediate band in Si heavily coimplanted with chalcogens (S, Se, Te) and group III elements (B, Al)

This first-principles study describes the properties of Si implanted with several chalcogen species (S, Se, Te) at doses considerably above the equilibrium solubility limit, especially when coimplanted with the group III atoms B and Al. The measurements of chalcogen-implanted Si show strong optical absorption in the infrared range. The calculations carried out show that substitution of Si by chalcogen atoms requires lower formation energy than the interstitial implantation. In the resulting electronic structure, at concentrations close to 0.5%, an impurity band determined by the properties of the chalcogens introduced is observed in the forbidden energy gap of Si. Although this band is a few tenths of an electron volt wide, it remains energetically isolated from both the valence and the conduction bands. Appropriate coimplantation with group III elements allows control over the occupation of the intermediate band while modifying its energies only slightly. A moderate energy gain (especially small for B) seems to be obtained when p-doping atoms occupy the sites next to those of the chalcogens. Therefore, the apparent electrostatic attraction between species that in isolation would act as acceptors and double donors is smaller than expected. The intermediate-band properties have been preserved for all of the coimplanted compounds analyzed here, regardless of the species involved or the distance between them, which constitutes an appreciable advantage for the design of new experimental materials

An ab

Article on an ab initio study of the ionization of sodium superoxide

Complex edge effects in zigzag graphene nanoribbons due to hydrogen loading

We have performed density functional calculations as well as employed a tight-binding theory, to study the effect of passivation of zigzag graphene nanoribbons (ZGNR) by Hydrogen. We show that each edge C atom bonded with 2 H atoms open up a gap and destroys magnetism for small widths of the nanoribbon. However, a re-entrant magnetism accompanied by a metallic electronic structure is observed from 8 rows and thicker nanoribbons. The electronic structure and magnetic state are quite complex for this type of termination, with sp$^3$ bonded edge atoms being non-magnetic, whereas the nearest neighboring atoms are metallic and magnetic. We have also evaluated the phase stability of several thicknesses of ZGNR, and demonstrate that sp$^3$ bonded edge atoms, with 2 H atoms at the edge, should be stable at temperatures and pressures which are reachable in a laboratory environment.Comment: 11 figure

Efficient feedback controllers for continuous-time quantum error correction

We present an efficient approach to continuous-time quantum error correction that extends the low-dimensional quantum filtering methodology developed by van Handel and Mabuchi [quant-ph/0511221 (2005)] to include error recovery operations in the form of real-time quantum feedback. We expect this paradigm to be useful for systems in which error recovery operations cannot be applied instantaneously. While we could not find an exact low-dimensional filter that combined both continuous syndrome measurement and a feedback Hamiltonian appropriate for error recovery, we developed an approximate reduced-dimensional model to do so. Simulations of the five-qubit code subjected to the symmetric depolarizing channel suggests that error correction based on our approximate filter performs essentially identically to correction based on an exact quantum dynamical model

Chemical Equilibrium Abundances in Brown Dwarf and Extrasolar Giant Planet Atmospheres

We calculate detailed chemical abundance profiles for a variety of brown dwarf and extrasolar giant planet atmosphere models, focusing in particular on Gliese 229B, and derive the systematics of the changes in the dominant reservoirs of the major elements with altitude and temperature. We assume an Anders and Grevesse (1989) solar composition of 27 chemical elements and track 330 gas--phase species, including the monatomic forms of the elements, as well as about 120 condensates. We address the issue of the formation and composition of clouds in the cool atmospheres of substellar objects and explore the rain out and depletion of refractories. We conclude that the opacity of clouds of low--temperature ($\le$900 K), small--radius condensibles (specific chlorides and sulfides), may be responsible for the steep spectrum of Gliese 229B observed in the near infrared below 1 \mic. Furthermore, we assemble a temperature sequence of chemical transitions in substellar atmospheres that may be used to anchor and define a sequence of spectral types for substellar objects with T$_{eff}$s from $\sim$2200 K to $\sim$100 K.Comment: 57 pages total, LaTeX, 14 figures, 5 tables, also available in uuencoded, gzipped, and tarred form via anonymous ftp at www.astrophysics.arizona.edu (cd to pub/burrows/chem), submitted to Ap.

Transition of amorphous to crystalline oxide film in initial oxide overgrowth on liquid metals

It is important to understand the mechanism of oxidation in the initial stage on the free surface of liquid metals. Mittemeijer and co-workers recently developed a thermodynamic model to study the oxide overgrowth on a solid metal surface. Based on this model, we have developed a thermodynamic model to analyse the thermodynamic stability of oxide overgrowth on liquid metals. The thermodynamic model calculation revealed that the amorphous oxide phase is thermodynamically preferred up to 1.3 and 0.35 nm respectively, in the initial oxide overgrowth on liquid Al and Ga at the corresponding melting point. However, the amorphous phase is thermodynamically unstable in the initial oxide overgrowth on liquid Mg. The thermodynamic stability of amorphous phase in the Al and Ga oxide systems is attributed to lower sums of surface and interfacial energies for amorphous phases, compared to that of the corresponding crystalline phases.Financial support under grant EP/H026177/1 from the EPSRC was used