Search

A series of spin–orbit configuration interaction calculations has been carried out for the BiSe and BiTe molecules and analyzed in comparison with data obtained earlier for the isovalent BiO and BiS systems. An avoided crossing caused by the spin–orbit interaction between the X 2Π and A 4Π electronic states is shown to have a decisive effect on the lower-energy spectrum in each case. Irregularities in the X2 3/2 state vibrational manifold occur as a consequence of this nonadiabatic interaction, and the v vibrational number for the onset of these perturbations is found to gradually decrease in going from BiO to BiSe, in agreement with experiment. In BiTe the shape of the X2 potential curve is so altered by the avoided crossing that its minimum becomes shifted to a significantly larger distance than for the X1 state, unlike the case for BiSe or the lighter Bi chalcogenides. This characteristic appears to be the root cause for the fact that the X2 state has not yet been found experimentally in the BiTe spectrum, despite careful searches in the expected energy range. Radiative lifetimes have also been calculated for the low-lying states of both the BiSe and BiTe molecules, and these results are found to be consistent with experimental observations. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]

The emerging ferroelectric technology needs a reliable model for the simulation of the ferroelectric capacitors. This model would play a crucial role in designing new ferroelectric nonvolatile memories. As a main requirement, such a model must allow the calculation of the polarization variations for an arbitrary voltage applied to the ferroelectric. However, in spite of the large efforts made in modeling, most of the existing solutions fail to satisfy the above requirement or lack a minimal physical background. To address these problems, we developed a model based on a ferroelectric interpretation of the Preisach theory of hysteresis. In this articles, we try to elucidate how this theory, initially developed for ferromagnetic particles, can be adapted to the ferroelectric materials, despite the many differences between the two. Because the Preisach theory assumes a distribution of the coercitive voltages, we try to clarify its physical meaning in the case of the ferroelectric materials and propose a methodology to determine this distribution experimentally. To facilitate the implementation of the model, the experimental results are then fitted by an analytic function and the whole bidimensional distribution is calculated using a linear approximation. To evaluate the validity of the model, we performed simulations using the Spectre® circuit simulator and the results are in very good agreement with the measurements for the saturated hysteresis loops. The differences existing for the partial loops are mainly due to the linear approximation used for the Preisach distribution. This model can be successfully used for the design of the real memories. © 2001 American Institute of Physics. [ABSTRACT FROM AUTHOR]

Studies the electronic spectrum of the bismuth sulfide molecule using relativistic configuration interaction calculations employing effective core potentials. Effects of spin-orbit coupling; Spectroscopic constants for nine bismuth sulfide states; Radiative lifetimes and electric dipole moments.

An instrument has been designed and constructed for the simultaneous determination of nitrogen dioxide (NO2) and peroxyacetyl nitrate (PAN) in atmospheric samples. The instrument’s design is based on separation by fast gas chromatography (GC) with a 30 ft capillary column (DB-1) followed by detection by luminol chemiluminescence. The chemiluminescent reaction between NO2 or PAN and luminol takes place at the gas–liquid interface on the surface of a solid support. The chemiluminescent emission at 425 nm is detected with a photon counting module. The instrument is controlled by a 1.8 GHz Notebook computer with a WINDOWS 2000 operating system and a custom software application programmed in LABVIEW. Detection limits are in the low parts per trillion (ppt) with a time resolution of 30 s to 1 min. The instrument was operated during the Mexico City Metropolitan Area/Mexico City Megacity 2003 collaborative air quality study. Results for NO2 from this fast GC method were compared with results from a co-located differential optical absorption spectrometer (DOAS) and a tunable diode laser absorption spectromenter (TDLAS). The results support the application of the new luminol-based instrument for atmospheric measurements. [ABSTRACT FROM AUTHOR]

Presents general definitions for causal structures on manifolds of dimension for the topological category and for any differentiable one. Description of weak and strong local cone structures; Causal complement with reasonable duality properties; Common causal concepts of space-times.

Presents corrections to errors in the formulation of conditions for the Minkowski metric in the article 'Cones and causal structures on topological and differentiable manifolds.'

A versatile multifunctional laboratory-based near ambient pressure x-ray photoelectron spectroscopy (XPS) instrument is presented. The entire device is highly customized regarding geometry, exchangeable manipulators and sample stages for liquid- and solid-state electrochemistry, cryochemistry, and heterogeneous catalysis. It therefore delivers novel and unique access to a variety of experimental approaches toward a broad choice of functional materials and their specific surface processes. The high-temperature (electro)catalysis manipulator is designed for probing solid state/gas phase interactions for heterogeneous catalysts including solid electrolyzer/fuel cell electrocatalysts at pressures up to 15 mbar and temperatures from room temperature to 1000 °C. The liquid electrochemistry manipulator is specifically designed for in situ spectroscopic investigations of polarized solid/liquid interfaces using aqueous electrolytes and the third one for experiments for ice and ice-like materials at cryogenic temperatures to approximately -190 °C. The flexible and modular combination of these setups provides the opportunity to address a broad spectrum of in situ and operando XPS experiments on a laboratory-based system, circumventing the limited accessibility of experiments at synchrotron facilities., (© 2023 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).)

A series of spin-orbit configuration interaction calculations has been carried out for the BiSe and BiTe molecules and analyzed in comparison with data obtained earlier for the isovalent BiO and BiS systems. An avoided crossing caused by the spin-orbit interaction between the X2Pi and A4Pi electronic states is shown to have a decisive effect on the lower-energy spectrum in each case. Irregularities in the X2 3/2 state vibrational manifold occur as a consequence of this nonadiabatic interaction, and the v vibrational number for the onset of these perturbations is found to gradually decrease in going from BiO to BiSe, in agreement with experiment. In BiTe the shape of the X2 potential curve is so altered by the avoided crossing that its minimum becomes shifted to a significantly larger distance than for the X1 state, unlike the case for BiSe or the lighter Bi chalcogenides. This characteristic appears to be the root cause for the fact that the X2 state has not yet been found experimentally in the BiTe spectrum, despite careful searches in the expected energy range. Radiative lifetimes have also been calculated for the low-lying states of both the BiSe and BiTe molecules, and these results are found to be consistent with experimental observations., ((c) 2004 American Institute of Physics)