Analysis of band-gap formation in squashed arm-chair CNT

The electronic properties of squashed arm-chair carbon nanotubes are modeled using constraint free density functional tight binding molecular dynamics simulations. Independent from CNT diameter, squashing path can be divided into {\it three} regimes. In the first regime, the nanotube deforms with negligible force. In the second one, there is significantly more resistance to squashing with the force being $\sim 40-100$ nN/per CNT unit cell. In the last regime, the CNT looses its hexagonal structure resulting in force drop-off followed by substantial force enhancement upon squashing. We compute the change in band-gap as a function of squashing and our main results are: (i) A band-gap initially opens due to interaction between atoms at the top and bottom sides of CNT. The $\pi-$orbital approximation is successful in modeling the band-gap opening at this stage. (ii) In the second regime of squashing, large $\pi-\sigma$ interaction at the edges becomes important, which can lead to band-gap oscillation. (iii) Contrary to a common perception, nanotubes with broken mirror symmetry can have {\it zero} band-gap. (iv) All armchair nanotubes become metallic in the third regime of squashing. Finally, we discuss both differences and similarities obtained from the tight binding and density functional approaches.Comment: 16 pages and 6 figures, To appear in PR

Seeking large-scale magnetic fields in a pure-disk dwarf galaxy NGC 2976

It is still unknown how magnetic field-generation mechanisms could operate in low-mass dwarf galaxies. Here, we present a detailed study of a nearby pure-disk dwarf galaxy NGC 2976. Unlike previously observed dwarf objects, this galaxy possesses a clearly defined disk. For the purpose of our studies, we performed deep multi-frequency polarimetric observations of NGC 2976 with the VLA and Effelsberg radio telescopes. Additionally, we supplement them with re-imaged data from the WSRT-SINGS survey. The magnetic field morphology discovered in NGC 2976 consists of a southern polarized ridge. This structure does not seem to be due to just a pure large-scale dynamo process (possibly cosmic-ray driven) at work in this object, as indicated by the RM data and dynamo number calculations. Instead, the field of NGC 2976 is modified by past gravitational interactions and possibly also by ram pressure inside the M 81 galaxy group environment. The estimates of total (7 muG) and ordered (3 muG) magnetic field strengths, as well as degree of field order (0.46), which is similar to those observed in spirals, suggest that tidally generated magnetized gas flows can further enhance dynamo action in the object. NGC 2976 is apparently a good candidate for the efficient magnetization of its neighbourhood. It is able to provide an ordered (perhaps also regular) magnetic field into the intergalactic space up to a distance of about 5 kpc. Tidal interactions (and possibly also ram pressure) can lead to the formation of unusual magnetic field morphologies (like polarized ridges) in galaxies out of the star-forming disks, which do not follow any observed component of the interstellar medium (ISM), as observed in NGC 2976. These galaxies are able to provide ordered magnetic fields far out of their main disks.Comment: 16 page

On Primordial Magnetic Fields of Electroweak Origin

We consider Vachaspati's primordial magnetic field which is generated at the electroweak phase transition. Assuming that either the gradients of the Higgs field or, alternatively, the magnetic field itself are stochastic variables with a normal distribution, we find that the resulting magnetic field has an {\em rms} value in the present-day universe which is fully consistent with what is required for the galactic dynamo mechanism.Comment: 11 pages, Latex, no figures. Preprint NBI-HE-93-3

Heisenberg antiferromagnet on the square lattice for S>=1

Theoretical predictions of a semiclassical method - the pure-quantum self-consistent harmonic approximation - for the correlation length and staggered susceptibility of the Heisenberg antiferromagnet on the square lattice (2DQHAF) agree very well with recent quantum Monte Carlo data for S=1, as well as with experimental data for the S=5/2 compounds Rb2MnF4 and KFeF4. The theory is parameter-free and can be used to estimate the exchange coupling: for KFeF4 we find J=2.33 +- 0.33 meV, matching with previous determinations. On this basis, the adequacy of the quantum nonlinear sigma model approach in describing the 2DQHAF when S>=1 is discussed.Comment: 4 pages RevTeX file with 5 figures included by psfi

Spin correlations in an isotropic spin-5/2 two-dimensional antiferromagnet

We report a neutron scattering study of the spin correlations for the spin 5/2, two-dimensional antiferromagnet Rb_2MnF_4 in an external magnetic field. Choosing fields near the system's bicritical point, we tune the effective anisotropy in the spin interaction to zero, constructing an ideal S=5/2 Heisenberg system. The correlation length and structure factor amplitude are closely described by the semiclassical theory of Cuccoli et al. over a broad temperature range but show no indication of approaching the low-temperature renormalized classical regime of the quantum non-linear sigma model.Comment: 4 pages, 3 EPS figure

Ground State and Elementary Excitations of the S=1 Kagome Heisenberg Antiferromagnet

Low energy spectrum of the S=1 kagom\'e Heisenberg antiferromagnet (KHAF) is studied by means of exact diagonalization and the cluster expansion. The magnitude of the energy gap of the magnetic excitation is consistent with the recent experimental observation for \mpynn. In contrast to the $S=1/2$ KHAF, the non-magnetic excitations have finite energy gap comparable to the magnetic excitation. As a physical picture of the ground state, the hexagon singlet solid state is proposed and verified by variational analysis.Comment: 5 pages, 7 eps figures, 2 tables, Fig. 4 correcte

Spin-1/2 Heisenberg-Antiferromagnet on the Kagome Lattice: High Temperature Expansion and Exact Diagonalisation Studies

For the spin-$\frac{1}{2}$ Heisenberg antiferromagnet on the Kagom\'e lattice we calculate the high temperature series for the specific heat and the structure factor. A comparison of the series with exact diagonalisation studies shows that the specific heat has further structure at lower temperature in addition to a high temperature peak at $T\approx 2/3$. At $T=0.25$ the structure factor agrees quite well with results for the ground state of a finite cluster with 36 sites. At this temperature the structure factor is less than two times its $T=\infty$ value and depends only weakly on the wavevector $\bf q$, indicating the absence of magnetic order and a correlation length of less than one lattice spacing. The uniform susceptibility has a maximum at $T\approx 1/6$ and vanishes exponentially for lower temperatures.Comment: 15 pages + 5 figures, revtex, 26.04.9

Quantum phase transitions in the Triangular-lattice Bilayer Heisenberg Model

We study the triangular lattice bilayer Heisenberg model with antiferromagnetic interplane coupling $J_\perp$ and nearest neighbour intraplane coupling $J= \lambda J_\perp$, which can be ferro- or antiferromagnetic, by expansions in $\lambda$. For negative $\lambda$ a phase transition is found to an ordered phase at a critical $\lambda_c=-0.2636 \pm 0.0001$ which is in the 3D classical Heisenberg universality class. For $\lambda>0$, we find a transition at a rather large $\lambda_c\approx 1.2$. The universality class of the transition is consistent with that of Kawamura's 3D antiferromagnetic stacked triangular lattice. The spectral weight for the triplet excitations, at the ordering wavevector, remains finite at the transition, suggesting that a phase with free spinons does not exist in this model.Comment: revtex, 4 pages, 3 figure

Scanning tunneling microscopy and spectroscopy studies of graphite edges

We studied experimentally and theoretically the electronic local density of states (LDOS) near single step edges at the surface of exfoliated graphite. In scanning tunneling microscopy measurements, we observed the $(\sqrt{3} \times \sqrt{3}) R 30^{\circ}$ and honeycomb superstructures extending over 3$-$4 nm both from the zigzag and armchair edges. Calculations based on a density-functional derived non-orthogonal tight-binding model show that these superstructures can coexist if the two types of edges admix each other in real graphite step edges. Scanning tunneling spectroscopy measurements near the zigzag edge reveal a clear peak in the LDOS at an energy below the Fermi energy by 20 meV. No such a peak was observed near the armchair edge. We concluded that this peak corresponds to the "edge state" theoretically predicted for graphene ribbons, since a similar prominent LDOS peak due to the edge state is obtained by the first principles calculations.Comment: 4 pages, 6 figures, APF9, Appl. Surf. Sci. \bf{241}, 43 (2005