We have developed an efficient simulation tool GOLLUM for the computation of electrical, spin and thermal transport characteristics of complex nanostructures. The new multi-scale, multi-terminal tool addresses a number of new challenges and functiona
lities that have emerged in nanoscale-scale transport over the past few years. To illustrate the flexibility and functionality of GOLLUM, we present a range of demonstrator calculations encompassing charge, spin and thermal transport, corrections to density functional theory such as LDA+U and spectral adjustments, transport in the presence of non-collinear magnetism, the quantum-Hall effect, Kondo and Coulomb blockade effects, finite-voltage transport, multi-terminal transport, quantum pumps, superconducting nanostructures, environmental effects and pulling curves and conductance histograms for mechanically-controlled-break-junction experiments.
The physical structures of the outer atmospheres of red giants are not known. They are certainly complex and a range of recent observations are showing that we need to embrace to non-classical atmosphere models to interpret these regions. This region
s properties is of importance, not the least, for the understanding of the mass-loss mechanism for these stars, which is not still understood. Here, we present observational constraints of the outer regions of red giants, based on mid-IR, high spectral resolution spectra. We also discuss possible non-LTE effects and highlight a new non-LTE code that will be used to analyse the spectra of these atmospheric layers. We conclude by mentioning our new SOFIA/EXES observations of red giants at 6 microns, where the vibration-rotation lines of water vapour can be detected and spectrally resolved for the first time.
We consider the energetics of a superconducting double dot, comprising two superconducting islands coupled in series via a Josephson junction. The periodicity of the stability diagram is governed by the competition between the charging energy and the
superconducting gap, and the stability of each charge state depends upon its parity. We also find that, at finite temperatures, thermodynamic considerations have a significant effect on the stability diagram.
We measure an aluminum superconducting double quantum dot and find that its electrical impedance, specifically its quantum capacitance, depends on whether or not it contains a single broken Cooper pair. In this way we are able to observe, in real tim
e, the thermally activated breaking and recombination of Cooper pairs. Furthermore, we apply external microwave light and break single Cooper pairs by the absorption of single microwave photons.
Results are presented for the electron current in gold chiral nanotubes (AuNTs). Starting from the band structure of (4,3) and (5,3) AuNTs, we find that the magnitude of the chiral currents are greater than those found in carbon nanotubes. We also ca
lculate the associated magnetic flux inside the tubes and find this to be higher than the case of carbon nanotubes. Although (4,3) and (5,3) AuNTs carry transverse momenta of similar magnitudes, the low-bias magnetic flux carried by the former is far greater than that carried by the latter. This arises because the low-bias longitudinal current carried by a (4,3) AuNT is significantly smaller than that of a (5,3) AuNT.
Recently nanomechanical devices composed of a long stationary inner carbon nanotube and a shorter, slowly-rotating outer tube have been fabricated. In this Letter, we study the possibility of using such devices as adiabatic quantum pumps. Using the B
rouwer formula, we employ a Greens function technique to determine the pumped charge from one end of the inner tube to the other, driven by the rotation of a chiral outer nanotube. We show that there is virtually no pumping if the chiral angle of the two nanotubes is the same, but for optimal chiralities the pumped charge can be a significant fraction of a theoretical upper bound.
We present a study of the thermopower $S$ and the dimensionless figure of merit $ZT$ in molecules sandwiched between gold electrodes. We show that for molecules with side groups, the shape of the transmission coefficient can be dramatically modified
by Fano resonances near the Fermi energy, which can be tuned to produce huge increases in $S$ and $ZT$. This shows that molecules exhibiting Fano resonances have a high efficiency of thermoelectric cooling which is not present for conventional un-gated molecules with only delocalized states along their backbone.
