Transport properties of armchair graphene nanoribbon junctions between graphene electrodes

The transmission properties of armchair graphene nanoribbon junctions between graphene electrodes are investigated by means of first-principles quantum transport calculations. First the dependence of the transmission function on the size of the nanoribbon has been studied. Two regimes are highlighted: for small applied bias transport takes place via tunneling and the length of the ribbon is the key parameter that determines the junction conductance; at higher applied bias resonant transport through HOMO and LUMO starts to play a more determinant role, and the transport properties depend on the details of the geometry (width and length) of the carbon nanoribbon. In the case of the thinnest ribbon it has been verified that a tilted geometry of the central phenyl ring is the most stable configuration. As a consequence of this rotation the conductance decreases due to the misalignment of the $pi$ orbitals between the phenyl ring and the remaining part of the junction. All the computed transmission functions have shown a negligible dependence on different saturations and reconstructions of the edges of the graphene leads, suggesting a general validity of the reported results

Axion Like Particles and the Inverse Seesaw Mechanism

Light pseudoscalars known as axion like particles (ALPs) may be behind physical phenomena like the Universe transparency to ultra-energetic photons, the soft $\gamma$-ray excess from the Coma cluster, and the 3.5 keV line. We explore the connection of these particles with the inverse seesaw (ISS) mechanism for neutrino mass generation. We propose a very restrictive setting where the scalar field hosting the ALP is also responsible for generating the ISS mass scales through its vacuum expectation value on gravity induced nonrenormalizable operators. A discrete gauge symmetry protects the theory from the appearance of overly strong gravitational effects and discrete anomaly cancellation imposes strong constraints on the order of the group. The anomalous U$(1)$ symmetry leading to the ALP is an extended lepton number and the protective discrete symmetry can be always chosen as a subgroup of a combination of the lepton number and the baryon number.Comment: 29pp. v4: published version with erratum. Conclusions unchange

First-Principles Study of Substitutional Metal Impurities in Graphene: Structural, Electronic and Magnetic Properties

We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d transition metal, noble metal and Zn atoms interacting with carbon monovacancies in graphene. We pay special attention to the electronic and magnetic properties of these substitutional impurities and found that they can be fully understood using a simple model based on the hybridization between the states of the metal atom, particularly the d shell, and the defect levels associated with an unreconstructed D3h carbon vacancy. We identify three different regimes associated with the occupation of different carbon-metal hybridized electronic levels: (i) bonding states are completely filled for Sc and Ti, and these impurities are non-magnetic; (ii) the non-bonding d shell is partially occupied for V, Cr and Mn and, correspondingly, these impurties present large and localized spin moments; (iii) antibonding states with increasing carbon character are progressively filled for Co, Ni, the noble metals and Zn. The spin moments of these impurities oscillate between 0 and 1 Bohr magnetons and are increasingly delocalized. The substitutional Zn suffers a Jahn-Teller-like distortion from the C3v symmetry and, as a consequence, has a zero spin moment. Fe occupies a distinct position at the border between regimes (ii) and (iii) and shows a more complex behavior: while is non-magnetic at the level of GGA calculations, its spin moment can be switched on using GGA+U calculations with moderate values of the U parameter.Comment: 13 figures, 4 tables. Submitted to Phys. Rev. B on September 26th, 200

Testing the Modern Merger Hypothesis via the Assembly of Massive Blue Elliptical Galaxies in the Local Universe

The modern merger hypothesis offers a method of forming a new elliptical galaxy through merging two equal-mass, gas-rich disk galaxies fuelling a nuclear starburst followed by efficient quenching and dynamical stabilization. A key prediction of this scenario is a central concentration of young stars during the brief phase of morphological transformation from highly-disturbed remnant to new elliptical galaxy. To test this aspect of the merger hypothesis, we use integral field spectroscopy to track the stellar Balmer absorption and 4000\AA\ break strength indices as a function of galactic radius for 12 massive (${\rm M_{*}}\ge10^{10}{\rm M_{\odot}}$), nearby (${\rm z}\le0.03$), visually-selected plausible new ellipticals with blue-cloud optical colours and varying degrees of morphological peculiarities. We find that these index values and their radial dependence correlate with specific morphological features such that the most disturbed galaxies have the smallest 4000\AA\ break strengths and the largest Balmer absorption values. Overall, two-thirds of our sample are inconsistent with the predictions of the modern merger hypothesis. Of these eight, half exhibit signatures consistent with recent minor merger interactions. The other half have star formation histories similar to local, quiescent early-type galaxies. Of the remaining four galaxies, three have the strong morphological disturbances and star-forming optical colours consistent with being remnants of recent, gas-rich major mergers, but exhibit a weak, central burst consistent with forming $\sim5\%$ of their stars. The final galaxy possesses spectroscopic signatures of a strong, centrally-concentrated starburst and quiescent core optical colours indicative of recent quenching (i.e., a post-starburst signature) as prescribed by the modern merger hypothesis.Comment: 25 pages, 37 figures, accepted to MNRA

Exciting polaritons with quantum light

We discuss the excitation of polaritons---strongly-coupled states of light and matter---by quantum light, instead of the usual laser or thermal excitation. As one illustration of the new horizons thus opened, we introduce Mollow spectroscopy, a theoretical concept for a spectroscopic technique that consists in scanning the output of resonance fluorescence onto an optical target, from which weak nonlinearities can be read with high precision even in strongly dissipative environments.Comment: 5 pages, 3 figure

Interactions and star formation activity in Wolf-Rayet galaxies

We present the main results of the PhD Thesis carried out by L\'opez-S\'anchez (2006), in which a detailed morphological, photometrical and spectroscopical analysis of a sample of 20 Wolf-Rayet (WR) galaxies was realized. The main aims are the study of the star formation and O and WR stellar populations in these galaxies and the role that interactions between low surface companion objects have in the triggering of the bursts. We analyze the morphology, stellar populations, physical conditions, chemical abundances and kinematics of the ionized gas, as well as the star-formation activity of each system.Comment: 16 pages, 15 figure

Electronic structure interpolation via atomic orbitals

We present an efficient scheme for accurate electronic structure interpolations based on the systematically improvable optimized atomic orbitals. The atomic orbitals are generated by minimizing the spillage value between the atomic basis calculations and the converged plane wave basis calculations on some coarse $k$-point grid. They are then used to calculate the band structure of the full Brillouin zone using the linear combination of atomic orbitals (LCAO) algorithms. We find that usually 16 -- 25 orbitals per atom can give an accuracy of about 10 meV compared to the full {\it ab initio} calculations. The current scheme has several advantages over the existing interpolation schemes. The scheme is easy to implement and robust which works equally well for metallic systems and systems with complex band structures. Furthermore, the atomic orbitals have much better transferability than the Shirley's basis and Wannier functions, which is very useful for the perturbation calculations

High-performance functional renormalization group calculations for interacting fermions

We derive a novel computational scheme for functional Renormalization Group (fRG) calculations for interacting fermions on 2D lattices. The scheme is based on the exchange parametrization fRG for the two-fermion interaction, with additional insertions of truncated partitions of unity. These insertions decouple the fermionic propagators from the exchange propagators and lead to a separation of the underlying equations. We demonstrate that this separation is numerically advantageous and may pave the way for refined, large-scale computational investigations even in the case of complex multiband systems. Furthermore, on the basis of speedup data gained from our implementation, it is shown that this new variant facilitates efficient calculations on a large number of multi-core CPUs. We apply the scheme to the $t$,$t'$ Hubbard model on a square lattice to analyze the convergence of the results with the bond length of the truncation of the partition of unity. In most parameter areas, a fast convergence can be observed. Finally, we compare to previous results in order to relate our approach to other fRG studies.Comment: 26 pages, 9 figure