Theory of PbTiO3, BaTiO3, and SrTiO3 Surfaces

First-principles total-energy calculations are carried out for (001) surfaces of the cubic perovskite ATiO3 compounds PbTiO3, BaTiO3, and SrTiO3. Both AO-terminated and TiO2-terminated surfaces are considered, and fully-relaxed atomic configurations are determined. In general, BaTiO3 and SrTiO3 are found to have a rather similar behavior, while PbTiO3 is different in many respects because of the partially covalent character of the Pb-O bonds. PbTiO3 and BaTiO3 are ferroelectrics, and the influence of the surface upon the ferroelectric distortions is studied for the case of a tetragonal ferroelectric distortion parallel to the surface. The surface relaxation energies are found to be substantial, i.e., many times larger than the bulk ferroelectric well depth. Nevertheless, the influence of the surface upon the ferroelectric order parameter is modest, and is qualitatively as well as quantitatively different for the two materials. Surface energies and electronic properties are also computed. It is found that for BaTiO3 and SrTiO3 surfaces, both AO-terminated and TiO2-terminated surfaces can be thermodynamically stable, whereas for PbTiO3 only the PbO surface termination is stable.Comment: 13 pages with 3 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#bm_pbsur

Quantum lattice gases and their invariants

The one particle sector of the simplest one dimensional quantum lattice gas automaton has been observed to simulate both the (relativistic) Dirac and (nonrelativistic) Schroedinger equations, in different continuum limits. By analyzing the discrete analogues of plane waves in this sector we find conserved quantities corresponding to energy and momentum. We show that the Klein paradox obtains so that in some regimes the model must be considered to be relativistic and the negative energy modes interpreted as positive energy modes of antiparticles. With a formally similar approach--the Bethe ansatz--we find the evolution eigenfunctions in the two particle sector of the quantum lattice gas automaton and conclude by discussing consequences of these calculations and their extension to more particles, additional velocities, and higher dimensions.Comment: 19 pages, plain TeX, 11 PostScript figures included with epsf.tex (ignore the under/overfull \vbox error messages

The Effect of Transaction Size on Off-the-Run Treasury Prices

A price pressure effect is implied by segmentation in the market for a security. An empirical property of a segmented market is that the price of the security is sensitive to supply and demand conditions for that specific security, absent changes in risk and absent any new information. This paper examines intra-day trading data from the inter-dealer broker market for U.S. Treasury securities and finds that there is a price pressure effect in the off-the-run Treasury market. Thus, securities that would appear to be very close substitutes, i.e., on-the-run and off-the-run Treasury bonds, behave as if there is some degree of market segmentation. There have been several studies of price pressure in the equity market and Treasury bill market but this is the first study of the off-the-run Treasury note and bond market to investigate a price pressure effect using intra-day data. It is also the first study to analyze price pressure through matched pairs of securities that differ only in liquidity and with high frequency data.

The microstructure of the crinoid endoskeleton

52 p., 30 pl.http://paleo.ku.edu/contributions.htm

A qualitative study of CVD management and dietary changes: problems of ‘too much’ and ‘contradictory’ information

This article is published under license to BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated

Wrestling with objectivity and fairness: U.S. environment reporters and the business community

Environment reporters have been criticized for allegedly having an antibusiness bias. This study, based on a series of regional surveys including 364 U.S. environment reporters, found the journalists commonly used a business or economics framework for their stories. The reporters used some business organizations as sources more often than some environmental groups. They acknowledged the need to be fair to both corporations and environmental activists. Nevertheless, a substantial minority of these environment reporters said they struggled with the issue of whether their peers are “too green.

Environment reporters and U.S. journalists: A comparative analysis

This study provides baseline data regarding environment reporters in the twenty-first century, and then compares this baseline information about a specialized journalism beat to existing studies of U.S. journalists in general. This comparison between 652 environmental journalists working at daily newspapers and television stations and more than 1,000 U.S. journalists in general found that these reporters share many individual and work-related characteristics, perhaps due in part to their similar backgrounds and to the basic professional training received by most journalists. The authors propose a uniform theory of journalism education, arguing that journalists are journalists first because they are linked by their studies, training, and experience, and that differences among reporters may be related to variations in their education. The researchers also found that newspapers employ more specialized reporters than do television stations, and that the bigger the newspaper, the more specialists, suggesting that bigger is better for specialized reporting

A Quantum Monte Carlo Method at Fixed Energy

In this paper we explore new ways to study the zero temperature limit of quantum statistical mechanics using Quantum Monte Carlo simulations. We develop a Quantum Monte Carlo method in which one fixes the ground state energy as a parameter. The Hamiltonians we consider are of the form $H=H_{0}+\lambda V$ with ground state energy E. For fixed $H_{0}$ and V, one can view E as a function of $\lambda$ whereas we view $\lambda$ as a function of E. We fix E and define a path integral Quantum Monte Carlo method in which a path makes no reference to the times (discrete or continuous) at which transitions occur between states. For fixed E we can determine $\lambda(E)$ and other ground state properties of H

Zoogeography of Tropical Western Atlantic Crinoidea (Echinodermata)

Recent collections of crinoids from the intertidal zone to 1,650 m in the tropical western Atlantic have provided significant range extensions for more than half of the 44 comatulid and stalked species known from the region. Of the 34 comatulid species, over 60% are endemic to the region; of the 10 stalked species, 90% are endemic. At the familial level, this fauna has its strongest affinities with the tropical Indo-Pacific region. Comatulids are most abundant above 300 m, while stalked species occur primarily between 100 and 700 m. Species that occur primarily above 600 m (the deepest penetration of the 10°C isotherm in the region) have depth ranges generally narrower than 200 m. Species that are found below 1,000 m generally have much broader depth ranges