Graphene nanoribbons subject to gentle bends

Since graphene nanoribbons are thin and flimsy, they need support. Support gives firm ground for applications, and adhesion holds ribbons flat, although not necessarily straight: ribbons with high aspect ratio are prone to bend. The effects of bending on ribbons' electronic properties, however, are unknown. Therefore, this article examines the electromechanics of planar and gently bent graphene nanoribbons. Simulations with density-functional tight-binding and revised periodic boundary conditions show that gentle bends in armchair ribbons can cause significant widening or narrowing of energy gaps. Moreover, in zigzag ribbons sizeable energy gaps can be opened due to axial symmetry breaking, even without magnetism. These results infer that, in the electronic measurements of supported ribbons, such bends must be heeded.Comment: 5 pages, 4 figure

Extremely Irradiated Hot Jupiters: Non-Oxide Inversions, H- Opacity, and Thermal Dissociation of Molecules

Extremely irradiated hot Jupiters, exoplanets reaching dayside temperatures ${>}$2000 K, stretch our understanding of planetary atmospheres and the models we use to interpret observations. While these objects are planets in every other sense, their atmospheres reach temperatures at low pressures comparable only to stellar atmospheres. In order to understand our \textit{a priori} theoretical expectations for the nature of these objects, we self-consistently model a number of extreme hot Jupiter scenarios with the PHOENIX model atmosphere code. PHOENIX is well-tested on objects from cool brown dwarfs to expanding supernovae shells and its expansive opacity database from the UV to far-IR make PHOENIX well-suited for understanding extremely irradiated hot Jupiters. We find several fundamental differences between hot Jupiters at temperatures ${>}$2500 K and their cooler counterparts. First, absorption by atomic metals like Fe and Mg, molecules including SiO and metal hydrides, and continuous opacity sources like H$^-$ all combined with the short-wavelength output of early-type host stars result in strong thermal inversions, without the need for TiO or VO. Second, many molecular species, including H$_2$O, TiO, and VO are thermally dissociated at pressures probed by eclipse observations, biasing retrieval algorithms that assume uniform vertical abundances. We discuss other interesting properties of these objects, as well as future prospects and predictions for observing and characterizing this unique class of astrophysical object, including the first self-consistent model of the hottest known jovian planet, KELT-9b.Comment: 23 pages, 16 figures, 1 table. Submitted to Ap

Magnetic phases of one-dimensional lattices with 2 to 4 fermions per site

We study the spectral and magnetic properties of one-dimensional lattices filled with 2 to 4 fermions (with spin 1/2) per lattice site. We use a generalized Hubbard model that takes account all interactions on a lattice site, and solve the many-particle problem by exact diagonalization. We find an intriguing magnetic phase diagram which includes ferromagnetism, spin-one Heisenberg antiferromagnetism, and orbital antiferromagnetism.Comment: 8 pages, 6 figure

The Upper Atmosphere of HD17156b

HD17156b is a newly-found transiting extrasolar giant planet (EGP) that orbits its G-type host star in a highly eccentric orbit (e~0.67) with an orbital semi-major axis of 0.16 AU. Its period, 21.2 Earth days, is the longest among the known transiting planets. The atmosphere of the planet undergoes a 27-fold variation in stellar irradiation during each orbit, making it an interesting subject for atmospheric modelling. We have used a three-dimensional model of the upper atmosphere and ionosphere for extrasolar gas giants in order to simulate the progress of HD17156b along its eccentric orbit. Here we present the results of these simulations and discuss the stability, circulation, and composition in its upper atmosphere. Contrary to the well-known transiting planet HD209458b, we find that the atmosphere of HD17156b is unlikely to escape hydrodynamically at any point along the orbit, even if the upper atmosphere is almost entirely composed of atomic hydrogen and H+, and infrared cooling by H3+ ions is negligible. The nature of the upper atmosphere is sensitive to to the composition of the thermosphere, and in particular to the mixing ratio of H2, as the availability of H2 regulates radiative cooling. In light of different simulations we make specific predictions about the thermosphere-ionosphere system of HD17156b that can potentially be verified by observations.Comment: 31 pages, 42 eps figure

Atmospheric Lepton Fluxes via Two-Dimensional Matrix Cascade Equations

The atmospheric lepton fluxes play a crucial role in many particle and astroparticle physics experiments, e.g. in establishing the neutrino signal and the muon background for neutrino oscillation measurements, or the atmospheric background for astrophysical neutrino searches. The Matrix Cascade Equations (MCEq) code is a numerical tool used to model the atmospheric lepton fluxes by solving a system of coupled differential equations for particle production, interaction, and decay at extremely low computational costs. Previously, the MCEq framework only accommodated longitudinal development of air showers, an approximation that works well for neutrino and muon fluxes at high energies (O(10 GeV) and above). However, for accurate calculations of atmospheric lepton angular distributions at lower energies, the lateral component of hadronic cascades becomes significant, necessitating three-dimensional calculation schemes. We introduce "2D MCEq", an efficient numerical approach for combined longitudinal and angular evolution of air showers that retains the low computational complexity. The accuracy of the "2D MCEq" is affirmed by its benchmark comparison with the standard Monte Carlo code CORSIKA. This study paves the way for efficient three-dimensional calculations of atmospheric neutrino fluxes.Comment: 25 pages, 17 figure

Spin Density Matrix of Spin-3/2 Hole Systems

For hole systems with an effective spin j=3/2, we present an invariant decomposition of the spin density matrix that can be interpreted as a multipole expansion. The charge density corresponds to the monopole moment and the spin polarization due to a magnetic field corresponds to a dipole moment while heavy hole-light hole splitting can be interpreted as a quadrupole moment. For quasi two-dimensional hole systems in the presence of an in-plane magnetic field B the spin polarization is a higher-order effect that is typically much smaller than one even if the minority spin subband is completely depopulated. On the other hand, the field B can induce a substantial octupole moment which is a unique feature of j=3/2 hole systems.Comment: 8 pages, 1 figure, 3 table

Magnetism in one-dimensional quantum dot arrays

We employ the density functional Kohn-Sham method in the local spin-density approximation to study the electronic structure and magnetism of quasi one-dimensional periodic arrays of few-electron quantum dots. At small values of the lattice constant, the single dots overlap, forming a non-magnetic quantum wire with nearly homogenous density. As the confinement perpendicular to the wire is increased, i.e. as the wire is squeezed to become more one-dimensional, it undergoes a spin-Peierls transition. Magnetism sets in as the quantum dots are placed further apart. It is determined by the electronic shell filling of the individual quantum dots. At larger values of the lattice constant, the band structure for odd numbers of electrons per dot indicates that the array could support spin-polarized transport and therefore act as a spin filter.Comment: 11 pages, 6 figure

Rotational and vibrational spectra of quantum rings

One can confine the two-dimensional electron gas in semiconductor heterostructures electrostatically or by etching techniques such that a small electron island is formed. These man-made ``artificial atoms'' provide the experimental realization of a text-book example of many-particle physics: a finite number of quantum particles in a trap. Much effort was spent on making such "quantum dots" smaller and going from the mesoscopic to the quantum regime. Far-reaching analogies to the physics of atoms, nuclei or metal clusters were obvious from the very beginning: The concepts of shell structure and Hund's rules were found to apply -- just as in real atoms! In this Letter, we report the discovery that electrons confined in ring-shaped quantum dots form rather rigid molecules with antiferromagnetic order in the ground state. This can be seen best from an analysis of the rotational and vibrational excitations