Energy Gaps in Graphene Nanoribbons

Based on a first-principles approach, we present scaling rules for the band gaps of graphene nanoribbons (GNRs) as a function of their widths. The GNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen passivation. Both varieties of ribbons are shown to have band gaps. This differs from the results of simple tight-binding calculations or solutions of the Dirac's equation based on them. Our {\it ab initio} calculations show that the origin of energy gaps for GNRs with armchair shaped edges arises from both quantum confinement and the crucial effect of the edges. For GNRs with zigzag shaped edges, gaps appear because of a staggered sublattice potential on the hexagonal lattice due to edge magnetization. The rich gap structure for ribbons with armchair shaped edges is further obtained analytically including edge effects. These results reproduce our {\it ab initio} calculation results very well

Comparison of Power Dependence of Microwave Surface Resistance of Unpatterned and Patterned YBCO Thin Film

The effect of the patterning process on the nonlinearity of the microwave surface resistance $R_S$ of YBCO thin films is investigated. With the use of a sapphire dielectric resonator and a stripline resonator, the microwave $R_S$ of YBCO thin films was measured before and after the patterning process, as a function of temperature and the rf peak magnetic field in the film. The microwave loss was also modeled, assuming a $J_{rf}^2$ dependence of $Z_S(J_{rf})$ on current density $J_{rf}$. Experimental and modeled results show that the patterning has no observable effect on the microwave residual $R_S$ or on the power dependence of $R_S$.Comment: Submitted to IEEE Trans. MT

Geometrical and electronic structures of the (5, 3) single-walled gold nanotube from first-principles calculations

The geometrical and electronic structures of the 4 {\AA} diameter perfect and deformed (5, 3) single-walled gold nanotube (SWGT) have been studied based upon the density-functional theory in the local-density approximation (LDA). The calculated relaxed geometries show clearly significant deviations from those of the ideally rolled triangular gold sheet. It is found that the different strains have different effects on the electronic structures and density of states of the SWGTs. And the small shear strain can reduce the binding energy per gold atom of the deformed SWGT, which is consistent with the experimentally observed result. Finally, we found the finite SWGT can show the metal-semiconductor transition.Comment: 11 pages, 4 figure

Large oscillating non-local voltage in multi-terminal single wall carbon nanotube devices

We report on the observation of a non-local voltage in a ballistic one-dimensional conductor, realized by a single-wall carbon nanotube with four contacts. The contacts divide the tube into three quantum dots which we control by the back-gate voltage $V_g$. We measure a large \emph{oscillating} non-local voltage $V_{nl}$ as a function of $V_g$ with zero mean. Though a classical resistor model can account for a non-local voltage including change of sign, it fails to describe the magnitude properly. The large amplitude of $V_{nl}$ is due to quantum interference effects and can be understood within the scattering-approach of electron transport

Group theory for structural analysis and lattice vibrations in phosphorene systems

Group theory analysis for two-dimensional elemental systems related to phosphorene is presented, including (i) graphene, silicene, germanene and stanene, (ii) dependence on the number of layers and (iii) two stacking arrangements. Departing from the most symmetric $D_{6h}^{1}$ graphene space group, the structures are found to have a group-subgroup relation, and analysis of the irreducible representations of their lattice vibrations makes it possible to distinguish between the different allotropes. The analysis can be used to study the effect of strain, to understand structural phase transitions, to characterize the number of layers, crystallographic orientation and nonlinear phenomena.Comment: 24 pages, 3 figure

Electron-Electron Interactions on the Edge States of Graphene: A Many Body Configuration Interaction Study

We have studied zigzag and armchair graphene nano ribbons (GNRs), described by the Hubbard Hamiltonian using quantum many body configuration interaction methods. Due to finite termination, we find that the bipartite nature of the graphene lattice gets destroyed at the edges making the ground state of the zigzag GNRs a high spin state, whereas the ground state of the armchair GNRs remains a singlet. Our calculations of charge and spin densities suggest that, although the electron density prefers to accumulate on the edges, instead of spin polarization, the up and down spins prefer to mix throughout the GNR lattice. While the many body charge gap results in insulating behavior for both kinds of GNRs, the conduction upon application of electric field is still possible through the edge channels because of their high electron density. Analysis of optical states suggest differences in quantum efficiency of luminescence for zigzag and armchair GNRs, which can be probed by simple experiments.Comment: 5 pages, 4 figure

Electronic structure of silicon-based nanostructures

We have developed an unifying tight-binding Hamiltonian that can account for the electronic properties of recently proposed Si-based nanostructures, namely, Si graphene-like sheets and Si nanotubes. We considered the $sp^3s^*$ and $sp^{3}$ models up to first- and second-nearest neighbors, respectively. Our results show that the Si graphene-like sheets considered here are metals or zero-gap semiconductors, and that the corresponding Si nanotubes follow the so-called Hamada's rule [Phys. Rev. Lett. {\bf 68}, 1579 1992]. Comparison to a recent {\it ab initio} calculation is made.Comment: 12 pages, 6 Figure

Indications of superconductivity in doped highly oriented pyrolytic graphite

We have observed possible superconductivity using standard resistance vs. temperature techniques in phosphorous ion implanted Highly Oriented Pyrolytic Graphite. The onset appears to be above 100 K and quenching by an applied magnetic field has been observed. The four initial boron implanted samples showed no signs of becoming superconductive whereas all four initial and eight subsequent samples that were implanted with phosphorous showed at least some sign of the existence of small amounts of the possibly superconducting phases. The observed onset temperature is dependent on both the number of electron donors present and the amount of damage done to the graphene sub-layers in the Highly Oriented Pyrolytic Graphite samples. As a result the data appears to suggest that the potential for far higher onset temperatures in un-damaged doped graphite exists.Comment: 7 pages, 1 table, 5 figures, 11 references, Acknowledgments section was correcte

Are better conducting molecules more rigid?

We investigate the electronic origin of the bending stiffness of conducting molecules. It is found that the bending stiffness associated with electronic motion, which we refer to as electro-stiffness, $\kappa_{e}$, is governed by the molecular orbital overlap $t$ and the gap width $u$ between HOMO and LUMO levels, and behaves as $\kappa_{e}\sim t^{2}/\sqrt{u^2+t^{2}}$. To study the effect of doping, we analyze the electron filling-fraction dependence on $\kappa_{e}$ and show that doped molecules are more flexible. In addition, to estimate the contribution of $\kappa_{e}$ to the total stiffness, we consider molecules under a voltage bias, and study the length contraction ratio as a function of the voltage. The molecules are shown to be contracted or dilated, with $\kappa_{e}$ increasing nonlinearly with the applied bias