Electronic structure and magnetism of equiatomic FeN

In order to investigate the phase stability of equiatomic FeN compounds and the structure-dependent magnetic properties, the electronic structure and total energy of FeN with NaCl, ZnS and CsCl structures and various magnetic configurations are calculated using the first-principles TB-LMTO-ASA method. Among all the FeN phases considered, the antiferromagnetic NaCl structure with q=(00pi) is found to have the lowest energy at the theoretical equilibrium volume. However, the FM NaCl phase lies only 1mRyd higher. The estimated equilibrium lattice constant for nonmagnetic ZnS-type FeN agrees quite well with the experimental value, but for the AFM NaCl phase the estimated value is 6.7% smaller than that observed experimentally. For ZnS-type FeN, metastable magnetic states are found for volumes larger than the equilibrium value. On the basis of an analysis of the atom- and orbital-projected density of states and orbital-projected Crystal Orbital Hamilton Population, the iron-nitrogen interactions in NM ZnS, AFM NaCl and FM CsCl structures are discussed. The leading Fe-N interactions is due to the d-p iron-nitrogen hybridization, while considerable s-p and p-p hybridizations are also observed in all three phases. The iron magnetic moment in FeN is found to be highly sensitive to the nearest-neighboring Fe-N distance. In particular, the magnetic moment shows an abrupt drop from a value of about 2 muB to zero with the reduction of the Fe-N distance for the ZnS and CsCl structures.Comment: 12 pages, 6 figure

A pilot's opinion of the F-8 digital fly-by-wire airplane

The handling qualities of the F-8 digital fly-by-wire airplane are evaluated by using the Cooper-Harper rating scale. The reasons for the ratings are given, as well as a short description of the flying tasks. It was concluded that the handling qualities of the airplane were good in most situations, although occasional ratings of unsatisfactory were given

Some Implications of Cognitive Psychology for Risk Regulation

Beginning with a set of books and articles published in the 1950s, cognitive psychologists have developed a new descriptive theory of how people make decisions under conditions of risk and uncertainty. A dominant theme in the theory is that most people do not evaluate risky circumstances in the manner assumed by conventional decision theory-they do not, that is, seek to maximize the expected value of some function when selecting among actions with uncertain outcomes. The purpose of this article is to consider some implications of the cognitive theory for regulatory policies designed to control risks to life, health, and the environment. Section I describes the theory and outlines the key differences between it and conventional decision theory. Sections II and III then address, in turn, two central questions about the uses of the theory. First, if people behave in the manner described by the cognitive psychologists, how will this shape the demands that citizens make, through the political system, for risk regulation, and how (if at all) might these demands differ from those that would be expected if citizens behaved, instead, in the manner assumed by conventional decision theorists? Second, if citizens make demands as predicted by the cognitive theory, how (if at all) might their behavior affect the regulatory responses that political actors supply

Developing the MTO Formalism

We review the simple linear muffin-tin orbital method in the atomic-spheres approximation and a tight-binding representation (TB-LMTO-ASA method), and show how it can be generalized to an accurate and robust Nth order muffin-tin orbital (NMTO) method without increasing the size of the basis set and without complicating the formalism. On the contrary, downfolding is now more efficient and the formalism is simpler and closer to that of screened multiple-scattering theory. The NMTO method allows one to solve the single-electron Schroedinger equation for a MT-potential -in which the MT-wells may overlap- using basis sets which are arbitrarily minimal. The substantial increase in accuracy over the LMTO-ASA method is achieved by substitution of the energy-dependent partial waves by so-called kinked partial waves, which have tails attached to them, and by using these kinked partial waves at N+1 arbitrary energies to construct the set of NMTOs. For N=1 and the two energies chosen infinitesimally close, the NMTOs are simply the 3rd-generation LMTOs. Increasing N, widens the energy window, inside which accurate results are obtained, and increases the range of the orbitals, but it does not increase the size of the basis set and therefore does not change the number of bands obtained. The price for reducing the size of the basis set through downfolding, is a reduction in the number of bands accounted for and -unless N is increased- a narrowing of the energy window inside which these bands are accurate. A method for obtaining orthonormal NMTO sets is given and several applications are presented.Comment: 85 pages, Latex2e, Springer style, to be published in: Lecture notes in Physics, edited by H. Dreysse, (Springer Verlag

Room temperature midinfrared electroluminescence from GaInAsSbP light emitting diodes. .

Room temperature electroluminescence in the midinfrared near 4 µm is reported from GaInAsSbP light emitting diodes grown on GaSb by liquid phase epitaxy. Comparison of the electro- and photoluminescence revealed that light is generated on the p side of the diode. The energy shift (24 meV) is consistent with band gap narrowing and recombination via band tail states due to the Zn doping (1×1018 cm−3) in the p layer of the structure. The temperature dependent behavior of the luminescence and the improved emission intensity was attributed to recombination from localized states arising from electrostatic potential fluctuations due to compositional inhomogeneities in these alloys

Third-Generation TB-LMTO

We describe the screened Korringa-Kohn-Rostoker (KKR) method and the third-generation linear muffin-tin orbital (LMTO) method for solving the single-particle Schroedinger equation for a MT potential. The simple and popular formalism which previously resulted from the atomic-spheres approximation (ASA) now holds in general, that is, it includes downfolding and the combined correction. Downfolding to few-orbital, possibly short-ranged, low-energy, and possibly orthonormal Hamiltonians now works exceedingly well, as is demonstrated for a high-temperature superconductor. First-principles sp3 and sp3d5 TB Hamiltonians for the valence and lowest conduction bands of silicon are derived. Finally, we prove that the new method treats overlap of the potential wells correctly to leading order and we demonstrate how this can be exploited to get rid of the empty spheres in the diamond structure.Comment: latex2e, 32 printed pages, Postscript figs, to be published in: Tight-Binding Approach to Computational Materials Science, MRS Symposia Proceedings No. 491 (MRS, Pittsburgh, 1998

Implementing tradable permits for sulfur oxides emissions : a case study in the South Coast Air Basin

Tradable emissions permits have important theoretical advantages over source-specific technical standards as a means for controlling pollution. Nonetheless, difficulties can arise in trying to implement an efficient, competitive market in emissions permits. Simple workable versions of the market concept may fail to achieve the competitive equilibrium, or to take account of important complexities in the relationship between the pattern of emissions and the geographical distribution of pollution. Existing regulatory law may severely limit the range of market opportunities that states can adopt. This report examines the feasibility of tradable permits for controlling particulate sulfates in the Los Angeles airshed. Although the empirical part of the paper deals with a specific case, the methods developed have general applicability. Moreover, the particular market design that is proposed -- an auction process that involves no net revenue collection by the state -- has attractive features as a general model

Solution processed SnO2:Sb transparent conductive oxide as an alternative to indium tin oxide for applications in organic light emitting diodes

Here we present the deposition of antimony-doped tin oxide thin films using the ambient spray pyrolysis technique and demonstrate their implementation as transparent electrodes (anodes) in red, green and blue Organic Light emitting diodes. The films were spray coated at 380 oC from SnCl4 and SbCl3 solution blends in methanol and ∼230 nm thick films were investigated by means of x-ray diffraction, AFM, UV-Vis absorption spectroscopy, 4-point probe, Hall Effect and Kelvin Probe. It was found that for optimum antimony doping in the precursor solution of ∼2 wt%, the as-deposited ATO films exhibit excellent characteristics such as low surface roughness of RRMS∼6.3 nm, high work function (∼ -5.03 eV), wide direct band gap (∼4.2 eV), high transparency in the visible spectrum in excess of 85 % on glass, low sheet resistivity (∼32 Ohms/sq), high charge carrier concentration (∼6.35 × 10^20 cm-3) and carrier mobility of ∼32 cm2 V-1 s-1. Furthermore, the electrical and optical performance i.e. the turn on voltage and external quantum efficiency of red, green and blue OLEDs fabricated on optimized SnO2:Sb films were identical to those of OLEDs fabricated on commercially available ITO (Rs∼15 Ohms/sq) and were found to be in excess of 11 %, 0.3 % and 13 % for red, green and blue OLEDs respectivel

Eruptive and Geomorphic Processes at the Lathrop Wells Scoria Cone

The {approx}80 ka Lathrop Wells volcano (southern Nevada, U.S.A.) preserves evidence for a range of explosive processes and emplacement mechanisms of pyroclastic deposits and lava fields in a small-volume basaltic center. Early cone building by Strombolian bursts was accompanied by development of a fan-like lava field reaching {approx}800 m distance from the cone, built upon a gently sloping surface. Lava flows carried rafts of cone deposits, which provide indirect evidence for cone facies in lieu of direct exposures in the active quarry. Subsequent activity was of a violent Strombolian nature, with many episodes of sustained eruption columns up to a few km in height. These deposited layers of scoria lapilli and ash in different directions depending upon wind direction at the time of a given episode, reaching up to {approx}20 km from the vent, and also produced the bulk of the scoria cone. Lava effusion migrated from south to north around the eastern base of the cone as accumulation of lavas successively reversed the topography at the base of the cone. Late lavas were emplaced during violent Strombolian activity and continued for some time after explosive eruptions had waned. Volumes of the eruptive products are: fallout--0.07 km{sup 3}, scoria cone--0.02 km{sup 3}, and lavas--0.03 km{sup 3}. Shallow-derived xenolith concentrations suggest an upper bound on average conduit diameter of {approx}21 m in the uppermost 335 m beneath the volcano. The volcano was constructed over a period of at least seven months with cone building occurring only during part of that time, based upon analogy with historical eruptions. Post-eruptive geomorphic evolution varied for the three main surface types that were produced by volcanic activity: (1) scoria cone, (2) low relief surfaces (including lavas) with abundant pyroclastic material, and (3) lavas with little pyroclastic material. The role of these different initial textures must be accounted for in estimating relative ages of volcanic surfaces, and failure to account for this resulted in previous erroneous interpretation that the volcano is polycyclic (eruptions separated by 1,000s-10,000s of years). Lathrop Wells volcano provides an example of the wide range of eruptive processes that can occur with little change in major element composition; the variation in explosive and effusive processes, including their simultaneous occurrence, must result entirely from fluid dynamic, crystallization, and degassing processes in the ascending multiphase magma. The volcano also provides key analog information regarding processes that are important for volcanic risk assessment at the proposed Yucca Mountain radioactive waste repository, {approx}18 km north of the volcano