Bromophenyl functionalization of carbon nanotubes : an ab initio study

We study the thermodynamics of bromophenyl functionalization of carbon nanotubes with respect to diameter and metallic/insulating character using density-functional theory (DFT). On one hand, we show that the activation energy for the grafting of a bromophenyl molecule onto a semiconducting zigzag nanotube ranges from 0.73 eV to 0.76 eV without any clear trend with respect to diameter within numerical accuracy. On the other hand, the binding energy of a single bromophenyl molecule shows a clear diameter dependence and ranges from 1.51 eV for a (8,0) zigzag nanotube to 0.83 eV for a (20,0) zigzag nanotube. This is in part explained by the transition from sp2 to sp3 bonding occurring to a carbon atom of a nanotube when a phenyl is grafted to it and the fact that smaller nanotubes are closer to a sp3 hybridization than larger ones due to increased curvature. Since a second bromophenyl unit can attach without energy barrier next to an isolated grafted unit, they are assumed to exist in pairs. The para configuration is found to be favored for the pairs and their binding energy decreases with increasing diameter, ranging from 4.34 eV for a (7,0) nanotube to 2.27 eV for a (29,0) nanotube. An analytic form for this radius dependence is derived using a tight binding hamiltonian and first order perturbation theory. The 1/R^2 dependance obtained (where R is the nanotube radius) is verified by our DFT results within numerical accuracy. Finally, metallic nanotubes are found to be more reactive than semiconducting nanotubes, a feature that can be explained by a non-zero density of states at the Fermi level for metallic nanotubes.Comment: 7 pages, 5 figures and 3 table

Skyrme Crystal In A Two-Dimensional Electron Gas

The ground state of a two-dimensional electron gas at Landau level filling factors near $\nu =1$ is a Skyrme crystal with long range order in the positions and orientations of the topologically and electrically charged elementary excitations of the $\nu=1$ ferromagnetic ground state. The lowest energy Skyrme crystal is a square lattice with opposing postures for topological excitations on opposite sublattices. The filling factor dependence of the electron spin-polarization, calculated for the square lattice Skyrme crystal, is in excellent agreement with recent experiments.Comment: 3 pages, latex, 3 figures available upon request from [email protected]

Commensurate-incommensurate transitions of quantum Hall stripe states in double-quantum-well systems

In higher Landau levels (N>0) and around filling factors nu =4N+1, a two-dimensional electron gas in a double-quantum-well system supports a stripe groundstate in which the electron density in each well is spatially modulated. When a parallel magnetic field is added in the plane of the wells, tunneling between the wells acts as a spatially rotating effective Zeeman field coupled to the ``pseudospins'' describing the well index of the electron states. For small parallel fields, these pseudospins follow this rotation, but at larger fields they do not, and a commensurate-incommensurate transition results. Working in the Hartree-Fock approximation, we show that the combination of stripes and commensuration in this system leads to a very rich phase diagram. The parallel magnetic field is responsible for oscillations in the tunneling matrix element that induce a complex sequence of transitions between commensurate and incommensurate liquid or stripe states. The homogeneous and stripe states we find can be distinguished by their collective excitations and tunneling I-V, which we compute within the time-dependent Hartree-Fock approximation.Comment: 23 pages including 8 eps figure

Rubidium Rydberg macrodimers

We explore long-range interactions between two atoms excited into high principal quantum number n Rydberg states, and present calculated potential energy surfaces (PES) for various symmetries of doubly excited ns and np rubidium atoms. We show that the PES for these symmetries exhibit deep (~GHz) potential wells, which can support very extended (~micrometers) bound vibrational states (macrodimers). We present n-scaling relations for both the depth De of the wells and the equilibrium separations Re of these macrodimers, and explore their response to small electric fields and stability with respect to predissociation. Finally, we present a scheme to form and study these macrodimers via photoassociation, and show how one can probe the various \ell-character of the potential wells

Dynamics of electrons in the quantum Hall bubble phases

In Landau levels N > 1, the ground state of the two-dimensional electron gas (2DEG) in a perpendicular magnetic field evolves from a Wigner crystal for small filling of the partially filled Landau level, into a succession of bubble states with increasing number of guiding centers per bubble as the filling increases, to a modulated stripe state near half filling. In this work, we show that these first-order phase transitions between the bubble states lead to measurable discontinuities in several physical quantities such as the density of states and the magnetization of the 2DEG. We discuss in detail the behavior of the collective excitations of the bubble states and show that their spectra have higher-energy modes besides the pinned phonon mode. The frequencies of these modes, at small wavevector k, have a discontinuous evolution as a function of filling factor that should be measurable in, for example, microwave absorption experiments.Comment: 13 pages, 7 figures. Corrected typos in eqs. (38),(39),(40

Reweighting of the form factors in exclusive B --> X ell nu decays

A form factor reweighting technique has been elaborated to permit relatively easy comparisons between different form factor models applied to exclusive B --> X l nu decays. The software tool developped for this purpose is described. It can be used with any event generator, three of which were used in this work: ISGW2, PHSP and FLATQ2, a new powerful generator. The software tool allows an easy and reliable implementation of any form factor model. The tool has been fully validated with the ISGW2 form factor hypothesis. The results of our present studies indicate that the combined use of the FLATQ2 generator and the form factor reweighting tool should play a very important role in future exclusive |Vub| measurements, with largely reduced errors.Comment: accepted for publication by EPJ

Simulated drilling noise affects the space use of a large terrestrial mammal

Wildlife is exposed to increasing anthropogenic disturbances related to shale oil and gas extraction in response to rising worldwide demands. As these disturbances increase in intensity and occurrence across the landscape, understanding their impacts is essential for management. On Anticosti Island (Québec, Canada), we equipped six white-tailed deer Odocoileus virginianus with GPS collars taking hourly locations. We then designed a playback experiment by simulating constant drilling noise emitted by generators to which half of the collared deer were exposed for a three-week period. Deer tolerated noise levels up to 70 dB(C). However, the number of locations recorded in areas where the noise was above 70 dB(C) was on average 73% (SE¿18%) lower than before the disturbance, which suggests that deer experienced fine scale functional habitat loss. This loss of habitat occurred up to 200 m from the noise source. The size of home ranges and movement rates did not appear to be affected by the noise disturbance. In addition, during the experiment, deer were able to relocate in areas of their home range where food availability was similar to that of sites used before the disturbance. These results show that drilling noise can affect the habitat use of white-tailed deer. However, future research is needed to better understand the cumulative impacts of shale mining on large mammals, as this study isolated only one of the many disturbances present near mining sites and for a limited perio