Electronic properties of adsorbates on GaAs(001)-c(2x8)/(2x4)

A systematic experimental and theoretical study was performed to determine the causes of oxide-induced Fermi level pinning and unpinning on GaAs(001)-c(2 x 8)/(2 x 4). Scanning tunneling spectroscopy (STS) and density functional theory (DFT) were used to study four different adsorbates' (O(2), In(2)O, Ga(2)O, and SiO) bonding to the GaAs(001)-c(2 x 8)/(2 x 4) surface. The STS results revealed that out of the four adsorbates studied, only one left the Fermi level unpinned, Ga(2)O. DFT calculations were used to elucidate the causes of the Fermi level pinning. Two distinct pinning mechanisms were identified: direct (adsorbate induced states in the band gap region) and indirect pinnings (generation of undimerized As atoms). For O(2) dissociative chemisorption onto GaAs(001)-c(2 x 8)/(2 x 4), the Fermi level pinning was only indirect, while direct Fermi level pinning was observed when In(2)O was deposited on GaAs(001)-c(2 x 8)/(2 x 4). In the case of SiO on GaAs(001)-c(2 x 8)/(2 x 4), the Fermi level pinning was a combination of the two mechanisms.     

Identification of Cable Forces on Cable-Stayed Bridges: A Novel Application of the MUSIC Algorithm

Proper identification of the cable’s resonant frequencies is critical to provide an accurate estimate of cable force. The MUltiple SIgnal Classification (MUSIC) algorithm is implemented to estimate cable-stayed bridge cable tensions noninvasively from measured cable motion. This algorithm performs eigenanalysis on the data sequence to estimate and eliminate noise contributions before creating its frequency spectrum, providing a more robust estimation approach than traditional Fourier based frequency spectrums. To aid in the selection of cable frequencies, a comprehensive finite difference cable model is simulated and compared to the estimated MUSIC spectrums.     

Hamiltonian evolution for the hybrid Monte Carlo algorithm

We discuss a class of reversible, discrete approximations to Hamilton's equations for use in the hybrid Monte Carlo algorithm and derive an asymptotic formula for the step-size-dependent errors arising from this family of approximations. For lattice QCD with Wilson fermions, we construct several different updates in which the effect of fermion vacuum polarization is given a longer time step than the gauge field's self-interaction. On a 4⁴ lattice, one of these algorithms with an optimal choice of step size is 30% to 40% faster than the standard leapfrog update with an optimal step size.     

A spectroscopic study of the coordination of dimethyl sulfoxide to a platinum (111) surface

Spectroscopic studies of the adsorption of dimethyl sulfoxide, (CH₃)₂S = O, on Pt(111) have shown that the molecule is bound to the surface via the sulfur atom in an inverted pyramid configuration. A comparison of XPS and EELS data for the adsorbed multilayer and monolayer with XPS and infrared data on the complex PtCl₂(DMSO)₂ is consistent with sulfur bonding. In addition, we detect a considerable increase of the v(S=O) frequency in the DMSO monolayer with decreasing coverage, indicating a coverage dependent heat of adsorption. UPS data show that on adsorption to form a monolayer, the highest occupied molecular orbital of DMSO, presumably the sulfur “lone pair” orbital, shifts to a higher binding energy. These results show a remarkable similarity between DMSO bonding to a metal surface and bonding to a single Pt²⁺ species.     

Organizational capability,efficiency, and effectiveness in Major League Baseball: 1901–2002

Effective organizations need capabilities relevant to their missions and must manage those capabilities efficiently. We anticipate capability is more important in industries in which labor is highly paid, while efficiency is more important in industries in which labor is inexpensive. We explore the contributions of capability and efficiency to effectiveness for Major League Baseball teams from 1901 through 2002. Our analysis measures team capability using offensive and defensive statistics and uses Network Data Envelopment Analysis to derive efficiency scores to capture managerial performance. We define effectiveness as the team’s winning percentage. Both capability and efficiency are significant contributors to regular season effectiveness. Capability is more important. Finally, we examine the post-season performance of post-season teams between 1903 and 2002. Our analysis measures post-season performance based on the team’s winning percentage and that of its opponent. Post-season performance is unrelated to capability and managerial performance, accounting for about 1% of post-season success.     

Identification of the intermediates in the dehydration of formic acid on Ni(110) by high resolution electron energy loss vibrational spectroscopy

High resolution electron energy loss vibrational spectroscopy was used to study the intermediate formed in the dehydration reaction for formic acid on Ni(110) and Ni(110)(4 × 5)C. On the carbided surface only the formate was observed. The frequencies of the asymmetric and symmetric OCO sketch indicated a monodentate configuration. On the clean surface a mixed adlayer of CO and HCOO formed. No losses expected for formic anhydride were observed. Lateral interactions between CO and HCOO appear to be responsible for the autocatalytic decomposition of the formate.     

Photoelectron and electron energy loss spectra of epitaxial aluminum nitride

The valence bands of epitaxial layers of A1N were studied by ultraviolet photoelectron spectroscopy and electron energy loss spectroscopy. A self-consistent band structure was calculated and the resultant density of states compared with the UPS spectra. Qualitative agreement was good, with discrepancies arising primarily from the neglect of dipole matrix elements.     

Fixed-time kinetic enthalpimetry: improved sensitivity for enthalpimetric enzyme activity determinations in homogeneous and heterogeneous systems

A fixed-time (integral) method is described for the enthalpimetric determination of enzyme activity. The method involves the determination of residual unreacted substrate after a fixed incubation time with the sample. Results are presented for the determination of cholinesterase in aqueous solution and in 0.1cm³ samples of reference sera using 30-min incubation periods. Results are correlated with a spectrophotometric procedure. A precision of 1.8% relative standard deviation is reported for serum assays. Preliminary data are also presented for the enthalpimetric determination of cholinesterase activity after immobilization onto non-porous glass beads by carbodiimide and glutaraldehyde coupling procedures.     

Differences Between Consecutive Primes

Let p_n be the nth prime. Then this paper is concerned with provingthe following result on the distribution of consecutive primes. The exponent of x in this theorem improves on the work of Heath-Brownwho proved (1) with exponent . Under the Riemann hypothesisone can prove (1) with exponent .The proof of the theorem startswith the Heath-Brown–Linnik identity which leads to aformula giving the number of primes in an interval in termsof coefficients of certain Dirichlet series. I then estimatethe coefficients by using, among other things, the informationwhich can be gained from Montgomery's mean value theorem andHuxley's version of the Hal' asz lemma. Furthermore, by usingfamiliar sieve arguments I am able to discard some of the coefficientsallowing us to gain an improvement over the previous resultof Heath-Brown. 1991 Mathematics Subject Classification: 11N05.