An integrated piecewise thermal equilibrium approach based on the first-principles calculation method has been developed to calculate bias dependent electronic structures and current- and differential conductance-voltage characteristics of the gold-b
enzene-1,4-dithiol-gold molecular junction. The calculated currents and differential conductance have the same order of magnitude as experimental ones. An electron transfer was found between the two electrodes when a bias is applied, which renders the two electrodes to have different local electronic structures. It was also found that when Au 5d electrons were treated as core electrons the calculated currents were overestimated, which can be understood as an underestimate of the Au-S covalent bonding and consequently the contact potential barrier and the replacement of delocalized Au 5d carriers by more itinerant delocalized Au 6sp carriers in the electrodes.
An X17.2 solar flare occurred on 2003 October 28, accompanied by multi-wavelength emissions and a high flux of relativistic particles observed at 1AU. We present the analytic results of the TRACE, SOHO, RHESSI, ACE, GOES, hard X-ray (INTEGRAL satelli
te), radio (Onderejov radio telescope), and neutron monitor data. It is found that the inferred magnetic reconnection electric field correlates well with the hard X-ray, gamma-ray, and neutron emission at the Sun. Thus the flares magnetic reconnection probably makes a crucial contribution to the prompt relativistic particles, which could be detected at 1 AU. Since the neutrons were emitted a few minutes before the injection of protons and electrons, we propose a magnetic-field evolution configuration to explain this delay. We do not exclude the effect of CME-driven shock, which probably plays an important role in the delayed gradual phase of solar energetic particles.
