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

Electron Beam Supercollimation in Graphene Superlattices

Although electrons and photons are intrinsically different, importing useful concepts in optics to electronics performing similar functions has been actively pursued over the last two decades. In particular, collimation of an electron beam is a long-standing goal. We show that ballistic propagation of an electron beam with virtual no spatial spreading or diffraction, without a waveguide or external magnetic field, can be achieved in graphene under an appropriate class of experimentally feasible one-dimensional external periodic potentials. The novel chiral quasi-one-dimensional metallic state that the charge carriers are in originates from a collapse of the intrinsic helical nature of the charge carriers in graphene owing to the superlattice potential. Beyond providing a new way to constructing chiral one-dimensional states in two dimensions, our findings should be useful in graphene-based electronic devices (e.g., for information processing) utilizing some of the highly developed concepts in optics.Comment: 7 pages, 4 figures (including supporting online material), published online in Nano Letter

New Generation of Massless Dirac Fermions in Graphene under External Periodic Potentials

We show that new massless Dirac fermions are generated when a slowly varying periodic potential is applied to graphene. These quasiparticles, generated near the supercell Brillouin zone boundaries with anisotropic group velocity, are different from the original massless Dirac fermions. The quasiparticle wavevector (measured from the new Dirac point), the generalized pseudospin vector, and the group velocity are not collinear. We further show that with an appropriate periodic potential of triangular symmetry, there exists an energy window over which the only available states are these quasiparticles, thus, providing a good system to probe experimentally the new massless Dirac fermions. The required parameters of external potentials are within the realm of laboratory conditions.Comment: 4 pages, 4 figure

Electrical Switching in Metallic Carbon Nanotubes

We present first-principles calculations of quantum transport which show that the resistance of metallic carbon nanotubes can be changed dramatically with homogeneous transverse electric fields if the nanotubes have impurities or defects. The change of the resistance is predicted to range over more than two orders of magnitude with experimentally attainable electric fields. This novel property has its origin that backscattering of conduction electrons by impurities or defects in the nanotubes is strongly dependent on the strength and/or direction of the applied electric fields. We expect this property to open a path to new device applications of metallic carbon nanotubes.Comment: 4 pages and 4 figure

Half-Metallic Graphene Nanoribbons

Electrical current can be completely spin polarized in a class of materials known as half-metals, as a result of the coexistence of metallic nature for electrons with one spin orientation and insulating for electrons with the other. Such asymmetric electronic states for the different spins have been predicted for some ferromagnetic metals - for example, the Heusler compounds- and were first observed in a manganese perovskite. In view of the potential for use of this property in realizing spin-based electronics, substantial efforts have been made to search for half-metallic materials. However, organic materials have hardly been investigated in this context even though carbon-based nanostructures hold significant promise for future electronic device. Here we predict half-metallicity in nanometre-scale graphene ribbons by using first-principles calculations. We show that this phenomenon is realizable if in-plane homogeneous electric fields are applied across the zigzag-shaped edges of the graphene nanoribbons, and that their magnetic property can be controlled by the external electric fields. The results are not only of scientific interests in the interplay between electric fields and electronic spin degree of freedom in solids but may also open a new path to explore spintronics at nanometre scale, based on graphene

The Value of End-Use Energy Efficiency in Mitigation of U.S. Carbon Emissions

This report documents a scenario analysis exploring the value of advanced technologies in the U.S. buildings, industrial, and transportation sectors in stabilizing atmospheric greenhouse gas concentrations. The analysis was conducted by staff members of Pacific Northwest National Laboratory (PNNL), working at the Joint Global Change Research Institute (JGCRI) in support of the strategic planning process of the U.S. Department of Energy (U.S. DOE) Office of Energy Efficiency and Renewable Energy (EERE). The conceptual framework for the analysis is an integration of detailed buildings, industrial, and transportation modules into MiniCAM, a global integrated assessment model. The analysis is based on three technology scenarios, which differ in their assumed rates of deployment of new or presently available energy-saving technologies in the end-use sectors. These technology scenarios are explored with no carbon policy, and under two CO2 stabilization policies, in which an economic price on carbon is applied such that emissions follow prescribed trajectories leading to long-term stabilization of CO2 at roughly 450 and 550 parts per million by volume (ppmv). The costs of meeting the emissions targets prescribed by these policies are examined, and compared between technology scenarios. Relative to the reference technology scenario, advanced technologies in all three sectors reduce costs by 50% and 85% for the 450 and 550 ppmv policies, respectively. The 450 ppmv policy is more stringent and imposes higher costs than the 550 ppmv policy; as a result, the magnitude of the economic value of energy efficiency is four times greater for the 450 ppmv policy than the 550 ppmv policy. While they substantially reduce the costs of meeting emissions requirements, advanced end-use technologies do not lead to greenhouse gas stabilization without a carbon policy. This is due mostly to the effects of increasing service demands over time, the high consumption of fossil fuels in the electricity sector, and the use of unconventional feedstocks in the liquid fuel refining sector. Of the three end-use sectors, advanced transportation technologies have the greatest potential to reduce costs of meeting carbon policy requirements. Services in the buildings and industrial sectors can often be supplied by technologies that consume low-emissions fuels such as biomass or, in policy cases, electricity. Passenger transportation, in contrast, is especially unresponsive to climate policies, as the fuel costs are small compared to the time value of transportation and vehicle capital and operating costs. Delaying the transition from reference to advanced technologies by 15 years increases the costs of meeting 450 ppmv stabilization emissions requirements by 21%, but the costs are still 39% lower than the costs assuming reference technology. The report provides a detailed description of the end-use technology scenarios and provides a thorough analysis of the results. Assumptions are documented in the Appendix

Experimentally Engineering the Edge Termination of Graphene Nanoribbons

The edges of graphene nanoribbons (GNRs) have attracted much interest due to their potentially strong influence on GNR electronic and magnetic properties. Here we report the ability to engineer the microscopic edge termination of high quality GNRs via hydrogen plasma etching. Using a combination of high-resolution scanning tunneling microscopy and first-principles calculations, we have determined the exact atomic structure of plasma-etched GNR edges and established the chemical nature of terminating functional groups for zigzag, armchair and chiral edge orientations. We find that the edges of hydrogen-plasma-etched GNRs are generally flat, free of structural reconstructions and are terminated by hydrogen atoms with no rehybridization of the outermost carbon edge atoms. Both zigzag and chiral edges show the presence of edge states.Comment: 16+9 pages, 3+4 figure

Anisotropic behaviors of massless Dirac fermions in graphene under periodic potential

Charge carriers of graphene show neutrino-like linear energy dispersions as well as chiral behavior near the Dirac point. Here we report highly unusual and unexpected behaviors of these carriers in applied external periodic potentials, i.e., in graphene superlattices. The group velocity renormalizes highly anisotropically even to a degree that it is not changed at all for states with wavevector in one direction but is reduced to zero in another, implying the possibility that one can make nanoscale electronic circuits out of graphene not by cutting it but by drawing on it in a non-destructive way. Also, the type of charge carrier species (e.g. electron, hole or open orbit) and their density of states vary drastically with the Fermi energy, enabling one to tune the Fermi surface-dominant properties significantly with gate voltage. These results address the fundamental question of how chiral massless Dirac fermions propagate in periodic potentials and point to a new possible path for nanoscale electronics.Comment: 10 pages, 9 figure