Magnon-driven quantum-dot heat engine

We investigate a heat- to charge-current converter consisting of a single-level quantum dot coupled to two ferromagnetic metals and one ferromagnetic insulator held at different temperatures. We demonstrate that this nano engine can act as an optimal heat to spin-polarized charge current converter in an antiparallel geometry, while it acts as a heat to pure spin current converter in the parallel case. We discuss the maximal output power of the device and its efficiency.Comment: 6 pages, 4 figures, published version, selected as Editor's choic

Influence of spin waves on transport through a quantum-dot spin valve

We study the influence of spin waves on transport through a single-level quantum dot weakly coupled to ferromagnetic electrodes with noncollinear magnetizations. Side peaks appear in the differential conductance due to emission and absorption of spin waves. We, furthermore, investigate the nonequilibrium magnon distributions generated in the source and drain lead. In addition, we show how magnon-assisted tunneling can generate a fullly spin-polarized current without an applied transport voltage. We discuss the influence of spin waves on the current noise. Finally, we show how the magnonic contributions to the exchange field can be detected in the finite-frequency Fano factor.Comment: published version, 15 pages, 10 figure

Coupled Al/Si and O/N order/disorder in BaYb[Si4–xAlxOxN7–x]sialon

The fractions of aluminium, [Al]/[Al + Si], and oxygen, [O]/[O + N], in crystallographically distinct sites of BaYb[Si4–xAlxOxN7–x] oxonitridoaluminosilicate (space group P63mc, No. 186) were refined based on the results of neutron powder diffraction for a synthetic sample with the composition of x = 2.2(2) and simulated as functions of temperature for the compositions x = 2 and x = 2.3 using a combination of static lattice energy calculations (SLEC) and Monte Carlo simulations. The SLEC calcu lations have been performed on a set of 800 structures differing in the distribution of Al/Si and O/N within the 2 × 2 × 2 supercell containing 36 formula units of BaYb[Si4–xAlxOxN7–x]. The SLEC were based on a transferable set of empirical interatomic potentials developed within the present study. The static lattice energies of these structures have been expanded in the basis set of pair-wise ordering energies and on-site chemical potentials. The ordering energies and the chemical potentials have been used to calculate the configuration energies of the oxonitridoaluminosilicates (so-called sialons) using a Monte Carlo algorithm. The simulations suggest that Al and O are distributed unevenly over two non-equivalent T(Si/Al) and three L(N/O) sites, respectively, and the distribution shows strong dependence both on the temperature and the composition. Both simulated samples exhibit order/disorder transitions in the temperature range 500–1000 K to phases with partial long-range order below these temperatures. Above the transition temperatures the Si/Al and N/O distributions are affected by short-range ordering. The predicted site occupancies are in a qualitative agreement with the neutron diffraction results

Tunneling resonances in quantum dots: Coulomb interaction modifies the width

Single-electron tunneling through a zero-dimensional state in an asymmetric double-barrier resonant-tunneling structure is studied. The broadening of steps in the $I$--$V$ characteristics is found to strongly depend on the polarity of the applied bias voltage. Based on a qualitative picture for the finite-life-time broadening of the quantum dot states and a quantitative comparison of the experimental data with a non-equilibrium transport theory, we identify this polarity dependence as a clear signature of Coulomb interaction.Comment: 4 pages, 4 figure

Electronic Excitations in Complex Molecular Environments: Many-Body Green's Functions Theory in VOTCA-XTP

Many-body Green's functions theory within the GW approximation and the Bethe-Salpeter Equation (BSE) is implemented in the open-source VOTCA-XTP software, aiming at the calculation of electronically excited states in complex molecular environments. Based on Gaussian-type atomic orbitals and making use of resolution of identify techniques, the code is designed specifically for non-periodic systems. Application to the small molecule reference set successfully validates the methodology and its implementation for a variety of excitation types covering an energy range from 2-8 eV in single molecules. Further, embedding each GW-BSE calculation into an atomistically resolved surrounding, typically obtained from Molecular Dynamics, accounts for effects originating from local fields and polarization. Using aqueous DNA as a prototypical system, different levels of electrostatic coupling between the regions in this GW-BSE/MM setup are demonstrated. Particular attention is paid to charge-transfer (CT) excitations in adenine base pairs. It is found that their energy is extremely sensitive to the specific environment and to polarization effects. The calculated redshift of the CT excitation energy compared to a nucelobase dimer treated in vacuum is of the order of 1 eV, which matches expectations from experimental data. Predicted lowest CT energies are below that of a single nucleobase excitation, indicating the possibility of an initial (fast) decay of such an UV excited state into a bi-nucleobase CT exciton. The results show that VOTCA-XTP's GW-BSE/MM is a powerful tool to study a wide range of types of electronic excitations in complex molecular environments

Memory effects in radiative jet energy loss

In heavy-ion collisions the created quark-gluon plasma forms a quickly evolving background, leading to a time dependent radiative behavior of high momentum partons traversing the medium. We use the Schwinger Keldysh formalism to describe the jet evolution as a non-equilibrium process including the Landau-Pomeranschuk-Migdal effect. Concentrating on photon emission, a comparison of our results to a quasistatic calculation shows good agreement, leading to the conclusion that the radiative behavior follows the changes in the medium almost instantaneously

Simulating the Multi-Epoch Direct Detection Technique to Isolate the Thermal Emission of the Non-Transiting Hot Jupiter HD187123B

We report the 6.5$\sigma$ detection of water from the hot Jupiter HD187123b with a Keplerian orbital velocity $K_p$ of 53 $\pm$ 13 km/s. This high confidence detection is made using a multi-epoch, high resolution, cross correlation technique, and corresponds to a planetary mass of 1.4$^{+0.5}_{-0.3}$ $M_J$ and an orbital inclination of 21 $\pm$ 5$^{\circ}$. The technique works by treating the planet/star system as a spectroscopic binary and obtaining high signal-to-noise, high resolution observations at multiple points across the planet's orbit to constrain the system's binary dynamical motion. All together, seven epochs of Keck/NIRSPEC $L$-band observations were obtained, with five before the instrument upgrade and two after. Using high resolution SCARLET planetary and PHOENIX stellar spectral models, along with a line-by-line telluric absorption model, we were able to drastically increase the confidence of the detection by running simulations that could reproduce, and thus remove, the non-random structured noise in the final likelihood space well. The ability to predict multi-epoch results will be extremely useful for furthering the technique. Here, we use these simulations to compare three different approaches to combining the cross correlations of high resolution spectra and find that the Zucker 2003 log(L) approach is least affected by unwanted planet/star correlation for our HD187123 data set. Furthermore, we find that the same total S/N spread across an orbit in many, lower S/N epochs rather than fewer, higher S/N epochs could provide a more efficient detection. This work provides a necessary validation of multi-epoch simulations which can be used to guide future observations and will be key to studying the atmospheres of further separated, non-transiting exoplanets.Comment: Accepted to AJ, 14 pages, 10 figure

Local behavior of p-harmonic Green's functions in metric spaces

We describe the behavior of p-harmonic Green's functions near a singularity in metric measure spaces equipped with a doubling measure and supporting a Poincar\'e inequality