Conductance of a quantum point contact based on spin-density-functional theory

We present full quantum mechanical conductance calculations of a quantum point contact (QPC) performed in the framework of the density functional theory (DFT) in the local spin-density approximation (LDA). We show that a spin-degeneracy of the conductance channels is lifted and the total conductance exhibits a broad plateau-like feature at 0.5*2e^{2}/h. The lifting of the spin-degeneracy is a generic feature of all studied QPC structures (both very short and very long ones; with the lengths in the range 40<l<500 nm). The calculated conductance also shows a hysteresis for forward- and backward sweeps of the gate voltage. These features in the conductance can be traced to the formation of weakly coupled quasi-bound states (magnetic impurities) inside the QPC (also predicted in previous DFT-based studies). A comparison of obtained results with the experimental data shows however, that while the spin-DFT based "first-principle" calculations exhibits the spin polarization in the QPC, the calculated conductance clearly does not reproduce the 0.7 anomaly observed in almost all QPCs of various geometries. We critically examine major features of the standard DFT-based approach to the conductance calculations and argue that its inability to reproduce the 0.7 anomaly might be related to the infamous derivative discontinuity problem of the DFT leading to spurious self-interaction errors not corrected in the standard LDA. Our results indicate that the formation of the magnetic impurities in the QPC might be an artefact of the LDA when localization of charge is expected to occur. We thus argue that an accurate description of the QPC structure would require approaches that go beyond the standard DFT+LDA schemes.Comment: 9 pages, 5 figure

Inelastic Scattering in Metal-H2-Metal Junctions

We present first-principles calculations of the dI/dV characteristics of an H2 molecule sandwiched between Au and Pt electrodes in the presence of electron-phonon interactions. The conductance is found to decrease by a few percentage at threshold voltages corresponding to the excitation energy of longitudinal vibrations of the H2 molecule. In the case of Pt electrodes, the transverse vibrations can mediate transport through otherwise non-transmitting Pt $d$-channels leading to an increase in the differential conductance even though the hydrogen junction is characterized predominately by a single almost fully open transport channel. In the case of Au, the transverse modes do not affect the dI/dV because the Au d-states are too far below the Fermi level. A simple explanation of the first-principles results is given using scattering theory. Finally, we compare and discuss our results in relation to experimental data.Comment: Accepted in Phys. Rev.

[OI]63micron jets in class 0 sources detected by Herschel

We present Herschel PACS mapping observations of the [OI]63 micron line towards protostellar outflows in the L1448, NGC1333-IRAS4, HH46, BHR71 and VLA1623 star forming regions. We detect emission spatially resolved along the outflow direction, which can be associated with a low excitation atomic jet. In the L1448-C, HH46 IRS and BHR71 IRS1 outflows this emission is kinematically resolved into blue- and red-shifted jet lobes, having radial velocities up to 200 km/s. In the L1448-C atomic jet the velocity increases with the distance from the protostar, similarly to what observed in the SiO jet associated with this source. This suggests that [OI] and molecular gas are kinematically connected and that this latter could represent the colder cocoon of a jet at higher excitation. Mass flux rates (\.M$_{jet}$(OI)) have been measured from the [OI]63micron luminosity adopting two independent methods. We find values in the range 1-4 10$^{-7}$ Mo/yr for all sources but HH46, for which an order of magnitude higher value is estimated. \.M$_{jet}$(OI) are compared with mass accretion rates (\.M$_{acc}$) onto the protostar and with \.M$_{jet}$ derived from ground-based CO observations. \.M$_{jet}$(OI)/\.M$_{acc}$ ratios are in the range 0.05-0.5, similar to the values for more evolved sources. \.M$_{jet}$(OI) in HH46 IRS and IRAS4A are comparable to \.M$_{jet}$(CO), while those of the remaining sources are significantly lower than the corresponding \.M$_{jet}$(CO). We speculate that for these three sources most of the mass flux is carried out by a molecular jet, while the warm atomic gas does not significantly contribute to the dynamics of the system.Comment: 37 pages and 12 figures, accepted for publication on Astrophysical Journa

On the unitarity problem in space/time noncommutative theories

It is shown that the violation of unitarity observed in space/time noncommutative field theories is due to an improper definition of quantum field theory on noncommutative spacetime.Comment: 7 pages; typos corrected, sign convention changed on p.

Rotational properties of dipolar Bose-Einstein condensates confined in anisotropic harmonic potentials

We study the rotational properties of a dipolar Bose-Einstein condensate confined in a quasi-two- dimensional anisotropic trap, for an arbitrary orientation of the dipoles with respect to their plane of motion. Within the mean-field approximation we find that the lowest-energy state of the system depends strongly on the relative strength between the dipolar and the contact interactions, as well as on the size and the orientation of the dipoles, and the size and the orientation of the deformation of the trapping potential.Comment: 6 pages, 5 figure

Resolving the shocked gas in HH54 with Herschel: CO line mapping at high spatial and spectral resolution

The HH54 shock is a Herbig-Haro object, located in the nearby Chamaeleon II cloud. Observed CO line profiles are due to a complex distribution in density, temperature, velocity, and geometry. Resolving the HH54 shock wave in the far-infrared cooling lines of CO constrain the kinematics, morphology, and physical conditions of the shocked region. We used the PACS and SPIRE instruments on board the Herschel space observatory to map the full FIR spectrum in a region covering the HH54 shock wave. Complementary Herschel-HIFI, APEX, and Spitzer data are used in the analysis as well. The observed features in the line profiles are reproduced using a 3D radiative transfer model of a bow-shock, constructed with the Line Modeling Engine code (LIME). The FIR emission is confined to the HH54 region and a coherent displacement of the location of the emission maximum of CO with increasing J is observed. The peak positions of the high-J CO lines are shifted upstream from the lower J CO lines and coincide with the position of the spectral feature identified previously in CO(10-9) profiles with HIFI. This indicates a hotter molecular component in the upstream gas with distinct dynamics. The coherent displacement with increasing J for CO is consistent with a scenario where IRAS12500-7658 is the exciting source of the flow, and the 180 K bow-shock is accompanied by a hot (800 K) molecular component located upstream from the apex of the shock and blueshifted by -7 km s$^{-1}$. The spatial proximity of this knot to the peaks of the atomic fine-structure emission lines observed with Spitzer and PACS ([OI]63, 145 $\mu$m) suggests that it may be associated with the dissociative shock as the jet impacts slower moving gas in the HH54 bow-shock.Comment: 6 pages, 5 figure