The Poisson's ratio characterizes the resultant strain in the lateral direction for a material under longitudinal deformation. Though negative Poisson's ratios (NPR) are theoretically possible within continuum elasticity, they are most frequently observed in engineered materials and structures, as they are not intrinsic to many materials. In this work, we report NPR in single-layer graphene ribbons, which results from the compressive edge stress induced warping of the edges. The effect is robust, as the NPR is observed for graphene ribbons with widths smaller than about 10 nm, and for tensile strains smaller than about 0.5%, with NPR values reaching as large as -1.51. The NPR is explained analytically using an inclined plate model, which is able to predict the Poisson's ratio for graphene sheets of arbitrary size. The inclined plate model demonstrates that the NPR is governed by the interplay between the width (a bulk property), and the warping amplitude of the edge (an edge property), which eventually yields a phase diagram determining the sign of the Poisson's ratio as a function of the graphene geometry.
In this work, fundamental results for carrier statistics in graphene 2-dimensional sheets and nanoscale ribbons are derived. Though the behavior of intrinsic carrier densities in 2d graphene sheets is found to differ drastically from traditional semiconductors, very narrow (sub-10 nm) ribbons are found to be similar to traditional narrow-gap semiconductors. The quantum capacitance, an important parameter in the electrostatic design of devices, is derived for both 2d graphene sheets and nanoribbons.
The mechanical response of graphene nano-ribbon under tensile loading has been investigated using atomistic simulation. Lattice symmetry dependence of elastic properties are found, which fits prediction from Cauchy-Born rule well. Concurrent brittle and ductile behaviors are observed in the failure process at elastic limit, which dominates at low and high temperature respectively. In addition, the free edges of finite width ribbon help to activate bond-flip events and initialize ductile behavior.
Patterning of graphene into micro- and nano-ribbons allows for the tunability in emerging fields such as flexible electronic and optoelectronic devices, and is gaining interest for the production of more efficient reinforcement for composite materials. In this work we fabricate micro-ribbons from CVD graphene by combining UV photolithography and dry etching oxygen plasma treatments. Raman spectral imaging confirms the effectiveness of the patterning procedure, which is suitable for large-area patterning of graphene on wafer-scale, and confirms that the quality of graphene remains unaltered. Th…
We present an investigation of large, isolated, graphene ribbons grown on the C-face of on-axis semi-insulating 6H-SiC wafers. Using a graphite cap to cover the SiC sample, we modify the desorption of the Si species during the Si sublimation process. This results in a better control of the growth kinetics, yielding very long (about 300 microns long, 5 microns wide), homogeneous monolayer graphene ribbons. These ribbons fully occupy unusually large terraces on the step bunched SiC surface, as shown by AFM, optical microscopy and SEM. Raman spectrometry indicates that the thermal stress has been…
Graphene, a flat monolayer of carbon atoms tightly packed into a two-dimensional honeycomb lattice (a one atom thick graphite sheet), is presently the hottest material in nanoscience and nanotechnology. Its challenging hypothetical reflection in the silicon world is coined silicene; Here, we have demonstrated that the silicon nano-wires self-aligned in a massively parallel array recently observed by STM on Ag(110), are true silicene nano-ribbons. Our calculations using density functional theory clearly show that Si atoms tends to form hexagons on top the silver substrate in a honeycomb, graphe…
Using a density functional theory based electronic structure method and semi-local density approximation, we study the interplay of geometric confinement, magnetism and external electric fields on the electronic structure and the resulting band gaps of multilayer graphene ribbons whose edges are saturated with molecular hydrogen (H$_2$) or hydroxyl (OH) groups. We discuss the similarities and differences of computed features in comparison with the atomic hydrogen (or H-) saturated ribbons and flakes. For H$_2$ edge-saturation, we find \emph{shifted} labeling of three armchair ribbon classes an…
A self-consistent theory involving Maxwell equations and a density-matrix linear-response theory is solved for an electromagnetically-coupled doped graphene micro-ribbon array and a quantum-well electron gas sitting at an interface between a half-space of air and another half-space of a doped semiconductor substrate which supports a surface-plasmon mode in our system. The coupling between a spatially-modulated total electromagnetic field and the electron dynamics in a Dirac-cone of a graphene ribbon, as well as the coupling of the far-field specular and near-field higher-order diffraction mode…
In this paper, heat flux in graphene nano ribbons has been studied by using molecular dynamics simulations. It is found that the heat flux runs preferentially along the direction of decreasing width, which demonstrates significant thermal rectification effect in the asymmetric graphene ribbons. The dependence of rectification ratio on the vertex angle and the length are also discussed. Compared to the carbon nanotube based one-dimensional thermal rectifier, graphene nano ribbons have much higher rectification ratio even in large scale. Our results demonstrate that asymmetric graphene ribbon mi…
Using a first principles density functional electronic structure method, we study the energy gaps and magnetism in bilayer graphene nanoribbons as a function of the ribbon width and the strength of an external electric field between the layers. We assume AB (Bernal) stacking and consider both armchair and zigzag edges and two edge alignments distinguished by a 60$^o$ rotation of one layer with respect to the other. Armchair ribbons exhibit three classes of bilayer gaps which decrease with increasing ribbon width. An external electric field between the layers increases the gap in narrow ribbons…
We have fabricated graphene nano-ribbon field-effect transistor devices and investigated their electrical properties as a function of ribbon width. Our experiments show that the resistivity of a ribbon increases as its width decreases, indicating the impact of edge states. Analysis of temperature dependent measurements suggests a finite quantum confinement gap opening in narrow ribbons. The electrical current noise of the graphene ribbon devices at low frequency is found to be dominated by the 1/f noise.
Zig-zag edge graphene ribbons grown on 6H-SiC facets are ballistic conductors. It has been assumed that zig-zag graphene ribbons grown on 4H-SiC would also be ballistic. However, in this work we show that SiC polytype matters; ballistic graphene ribbons only grow on 6H SiC. 4H and 4H-passivated ribbons are diffusive conductors. Detailed photoemmision and microscopy studies show that 6H-SiC sidewalls zig-zag ribbons are metallic with a pair of n-doped edge states associated with asymmetric edge terminations, In contrast, 4H-SiC zig-zag ribbons are strongly bonded to the SiC; severely distorting…
Graphene nano-ribbons junctions based electronic devices are proposed in this Letter. Non-equilibrium Green function calculations show that nano-ribbon junctions tailored from single layer graphene with different edge shape and width can act as metal-semiconductor junctions and quantum dots can be implemented. In virtue of the possibilities of patterning monolayer graphene down to atomic precision, these structures, quite different from the previously reported two-dimensional bulk graphene or carbon nanotube devices, are expected to be used as the building blocks of the future nano-electronics…
Graphene nanoribbons with sub-nanometer widths are extremely interesting for nanoscale electronics and devices as they combine the unusual transport properties of graphene with the opening of a band gap due to quantum confinement in the lateral dimension. Strong research efforts are presently paid to grow such nanoribbons. Here we show the synthesis of 6- and 7-armchair graphene nanoribbons, with widths of 0.61 and 0.74 nm, and excitonic gaps of 1.83 and 2.18 eV, by high-temperature vacuum annealing of ferrocene molecules inside single-walled carbon nanotubes. The encapsulation of the so-obtai…
Two-dimensional materials are popular in design of nanodevices. To improve bending stiffness of few-layered graphene ribbon, the relative sliding between neighboring layers should be avoided by method such as bonding them together. In this study, the new bonds between the graphene layers in ribbon are formed by ballistic C60 fullerenes from both surfaces of the ribbon. Collision effects are evaluated through molecular dynamics simulations. The formation of the new two dimensional carbon material is demonstrated by breakage and generation of bonds between atoms from graphene and/or fullerenes. …
We present a detailed description of the nature of the wavefunction and spin distribution of the zero energy modes of zigzag graphene ribbons (ZGRs) in the presence of the intrinsic spin_orbit (I-SO) interaction. These states characterize the quantum spin Hall (QSH) phase in graphene ribbons. We provide analytic expressions for wavefunctions and show how these evolve as the strength of the interaction and the ribbon width are changed. For odd-width ribbons, we show that its insulating nature precludes the existence of a QSH phase. For these systems the I-SO interaction is predicted to have a s…
Characterized by zigzag and armchair boundaries, the narrow ribbons display the very different characteristics in Hall conductivities. It is shown that the multi-band-crossings occur in the energy spectrum for armchair ribbons, and the number of them depends on the width of ribbons. Theoretically, it is predicated that the conductivities exhibit drastic sign reversals for narrow ribbons as the Fermi energy sweep over the band-crossings. A new classification of armchair ribbons is suggested based on the emergence of a flat band in the energy spectrum only for odd armchair ribbons. The evolution…
We address the electronic structure and magnetic properties of vacancies and voids both in graphene and graphene ribbons. Using a mean field Hubbard model, we study the appearance of magnetic textures associated to removing a single atom (vacancy) and multiple adjacent atoms (voids) as well as the magnetic interactions between them. A simple set of rules, based upon Lieb theorem, link the atomic structure and the spatial arrangement of the defects to the emerging magnetic order. The total spin $S$ of a given defect depends on its sublattice imbalance, but some defects with S=0 can still have l…
Today graphene nanoribbons and other graphene-based nanostructures can be synthesized with atomic precision. But while investigations have concentrated on straight graphene ribbons of fixed crystal orientation, ribbons with intrinsic curvature have remained mainly unexplored. Here, we investigate electronic transport in intrinsically curved graphene nanoribbons coupled to straight leads, using two computational approaches. Stationary approach shows that while the straight leads govern the conductance gap, the presence of curvature blurs the gap and reduces on-off ratio. An advanced time-depend…
We report a first-principles study of the electronic structure of functionalized graphene nano-ribbon (aGNRs-f) by organic functional group (CH2C6H5) and find that CH2C6H5 functionalized group does not produce any electronic states in the gap and the band gap is direct. By changing both the density of the organic functional group and the width of the aGNRs-f, a band gap tuning exhibits a fine three family behavior through the side effect. Meanwhile, the carriers at conduction band minimum and valence band maximum are located in both CH2C6H5 and aGNR regions when the density of the CH2C6H5 is b…
It is shown that a graphene ribbon, a ballistic strip of carbon monolayer, may serve as a quantum wire whose electronic properties can be continuously and reversibly controlled by an externally applied transverse voltage. The electron bands of armchair-edge ribbons undergo dramatic transformations: The Fermi surface fractures, Fermi velocity and effective mass change sign, and excitation gaps are reduced by the transverse field. These effects are manifest in the conductance plateaus, van Hove singularities, thermopower, and activated transport. The control over one-dimensional bands may help e…
The intercalation of an oxide barrier between graphene and its metallic substrate for chem- ical vapor deposition is a contamination-free alternative to the transfer of graphene to dielectric supports, usually needed for the realization of electronic devices. Low-cost pro- cesses, especially at atmospheric pressure, are desirable but whether they are achievable remains an open question. Combining complementary microscopic analysis, providing structural, electronic, vibrational, and chemical information, we demonstrate the spontaneous reactive intercalation of 1.5 nm-thick oxide ribbons between…
Since graphene nanoribbons are thin and flimsy, they need support. Support gives firm ground for applications, and adhesion holds ribbons flat, although not necessarily straight: ribbons with high aspect ratio are prone to bend. The effects of bending on ribbons' electronic properties, however, are unknown. Therefore, this article examines the electromechanics of planar and gently bent graphene nanoribbons. Simulations with density-functional tight-binding and revised periodic boundary conditions show that gentle bends in armchair ribbons can cause significant widening or narrowing of energy g…
Graphene nanoribbons (GNRs) with widths down to 16 nm have been characterized for their current-carrying capacity. It is found that GNRs exhibit an impressive breakdown current density, on the order of 10^8 A/cm2. The breakdown current density is found to have a reciprocal relationship to GNR resistivity and the data fit points to Joule heating as the likely mechanism of breakdown. The superior current-carrying capacity of GNRs will be valuable for their application in on-chip electrical interconnects. The thermal conductivity of sub-20 nm graphene ribbons is found to be more than 1000 W/m-K.
At B3LYP level of theory, we predict that the half-metallicity in zigzag edge graphene nanoribbon (ZGNR) can be realized when an external electric field is applied across the ribbon. The critical electric field to induce the half-metallicity decreases with the increase of the ribbon width. Both the spin polarization and half-metallicity are removed when the edge state electrons fully transferred from one side to the other under very strong electric field. The electric field range under which ZGNR remain half-metallic increases with the ribbon width. Our study demonstrates a rich field-induced …
Four fundamental dimer manipulations can be used to produce a variety of localized and extended defect structures in graphene. Two-dimensional templates result in graphene allotropes, here viewed as extended defects, which can exhibit either metallic or semiconducting electrical character. \emph{Embedded allotropic ribbons}--i.e. thin swaths of the new allotropes--can also be created within graphene. We examine these ribbons and find that they maintain the electrical character of their parent allotrope even when only a few atoms in width. Such extended defects may facilitate the construction o…
We present an extended study of finite-width zigzag graphene ribbons (ZGRs) based on a tight-binding model with hard-wall boundary conditions. We provide an exact analytic solution that clarifies the origin of the predicted width dependence on the conductance through junctions of ribbons with different widths. An analysis of the obtained solutions suggests a new description of ZGRs in terms of coupled chains. We pursue these ideas further by introducing a mapping between the ZGR model and the Hamiltonian for N-coupled quantum chains as described in terms of 2N Majorana fermions. The proposed m…
We analyze the mechanical deformations that are required to create uniform pseudomagnetic fields in graphene. It is shown that, if a ribbon is bent in-plane into a circular arc, this can lead to fields exceeding 10T, which is sufficient for the observation of pseudo-Landau quantization. The arc geometry is simpler than those suggested previously and, in our opinion, has much better chances to be realized experimentally soon. The effects of a scalar potential induced by dilatation in this geometry is shown to be negligible.
The performance of field effect transistors based on an single graphene ribbon with a constriction and a single back gate are studied with the help of atomistic models. It is shown how this scheme, unlike that of traditional carbon-nanotube-based transistors, reduces the importance of the specifics of the chemical bonding to the metallic electrodes in favor of the carbon-based part of device. The ultimate performance limits are here studied for various constriction and metal-ribbon contact models. In particular we show that, even for poorly contacting metals, properly taylored constrictions ca…
The field screening effect on the electronic and field-emission properties of zigzag graphene nanoribbons (ZGNRs) has been studied using first-principles calculations. We have systematically investigated the effect of inter-ribbon distance and ribbon width on the work function, field enhancement factor, band gap and edge magnetism of zigzag graphene nanoribbons (ZGNRs). It is found that the work function of ZGNRs increases rapidly as the inter-ribbon distance Dx increases, which is caused by the positive dipole at the edge of the ribbon. For a given Dx, the work function of ZGNRs decreases as …
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory. Antiferromagnetic zigzag ribbons are stable only at extremely-low ultra-vacuum pressures. Under more standard conditions, the most stable structures are the mono- and di-hydrogenated armchair edges and a zigzag edge reconstruction with one di- and two mono-hydrogenated sites. At high hydrogen-concentration ``bulk'' graphene is not stable and spontaneously breaks to form r…
Phase change memory (PCM) devices are known to reduce in power consumption as the bit volume and contact area of their electrodes are scaled down. Here, we demonstrate two types of low-power PCM devices with lateral graphene ribbon electrodes: one in which the graphene is patterned into narrow nanoribbons and the other where the phase change material is patterned into nanoribbons. The sharp graphene "edge" contacts enable switching with threshold voltages as low as ~3 V, low programming currents (<1 μA SET, <10 μA RESET) and ON/OFF ratios >100. Large-scale fabrication with graphene grown by ch…
A study of the effect of unscreened Coulomb interactions on the quantum spin Hall (QSH) phase of finite-width neutral zigzag graphene ribbons is presented. By solving a tight-binding Hamiltonian that includes the intrinsic spin-orbit interaction (I-SO), exact expressions for band-structures and edge-states wavefunctions are obtained. These analytic results, supported by tight-binding calculations, show that chiral spin-filtered edge states are composed of localized and damped oscillatory wavefunctions, reminiscent of the ones obtained in armchair ribbons. The addition of long-range Coulomb int…
Hydrogenated graphene, graphane, is studied on oxygen-terminated silicon dioxide substrate using ab initio calculations. A structure with hydrogenation only on one side of the graphene layer is found stable and its hydrogen configurations are presented. Additionally, we form zigzag graphene nanoribbons by selectively removing hydrogens from the epitaxial graphane layer. In these ribbons, the spin degeneracy of the freestanding antiferromagnetic zigzag ribbons is broken, and band gaps of different magnitude emerge for the opposite spin species. This degeneracy breaking is due to a charge imbala…
Based on a model of the optical biosensors (Science 311, 508 (2006)) by wrapping a piece of double-stranded DNA around the surface of single-walled carbon nanotubes (SWCNT), we propose a new design model of this sensor, in which the SWCNT is replaced by a semiconductor graphene ribbon (SGR). Using a simple theory of exciton in SGRs, we investigated transition of DNA secondary structure from the native, right-handed B form to the alternate, left-handed Z form. This structural phase transition of DNA is the working principle of this optical biosensor at the sub cellular level from DNA and semico…
We perform density functional calculations on one-dimensional zigzag edge graphene nano-ribbons (ZGNRs) of different widths, with and without edge doping including semi-local exchange-correlations. Our study reveals that, although the ground state of edge passivated (with hydrogen) ZGNRs prefers to be anti-ferromagnetic, the doping of both the edges with Boron atoms stabilizes the system in a ferromagnetic ground state. Both the local and semi-local exchange-correlations result in half-metallicity in edge passivated ZGNRs at a finite cross-ribbon electric field. However, the ZGNR with Boron ed…
We study by density functional and large scale tight-binding transport calculations the electronic structure, magnetism and transport properties of the recently proposed graphene ribbons with edges rolled to form nanotubes. Edges with armchair nanotubes present magnetic moments localized either in the tube or the ribbon and metallic or half-metallic character, depending on the symmetry of the junction. These properties have potential for spin valve and spin filter devices with advantages over other proposed systems. Edges with zigzag nanotubes are either metallic or semiconducting without affe…
We report on the transport properties of novel carbon nanostructures made of partially unzipped carbon nanotubes, which can be regarded as a seamless junction of a tube and a nanoribbon. We find that graphene nanoribbons act at certain energy ranges as a perfect valley filters for carbon nanotubes, with the maximum possible conductance. Our results show that a partially unzipped carbon nanotube is a magnetoresistive device, with a very large value of the magnetoresistance. We explore the properties of several structures combining nanotubes and graphene nanoribbons, demonstrating that they beha…
We investigate the formation of edge states in graphene ribbons and flakes with proximity induced valley-Zeeman and Rashba spin-orbit couplings in the presence of a perpendicular magnetic field $B$. Two types of edges states appear in the spin-orbit gap at the Fermi level at zero field: strongly localized pseudohelical (intervalley) states and weakly localized intravalley states. We show that if the magnetic field is stronger than a crossover field $B_c$, which is a few mT for realistic systems such as graphene/WSe$_2$, only the pseudohelical edge states remain in zigzag graphene ribbons; the …
Based on atomistic simulations, the nonlinear elastic properties of monolayer graphene nanoribbons under quasistatic uniaxial tension are predicted, emphasizing the effect of edge structures (armchair and zigzag, without and with hydrogen passivation). The results of atomistic simulations are interpreted within a theoretical framework of thermodynamics, which enables determination of the nonlinear functions for the strain-dependent edge energy and the hydrogen adsorption energy, for both zigzag and armchair edges. Due to the edge effects, the initial Young's modulus of graphene nanoribbons und…
Electron fully spin-polarized edge states in graphene emerged at the interfaces of a nonuniform magnetic field are studied numerically in a tight-binding model, with both the orbital and Zeeman-splitting effects of magnetic field considered. We show that the fully spin-polarized currents can be manipulated by a gate voltage. In order to make use of the fully spin-polarized currents in the spin related transport, a three-terminal experiment is designed and expected to export the fully spin-polarized currents. This may have important applications in spin based nanodevices.
Graphene has many advantageous properties, but its lack of an electronic band gap makes this two dimensional material impractical for many nanoelectronic applications, for example field effect transistors. This problem can be circumvented by opening up a confinement induced gap, through the patterning of graphene into ribbons having widths of a few nanometres. The electronic properties of such ribbons depend on their size and the crystallographic orientation of the ribbon edges. Therefore, etching processes that are able to differentiate between the zigzag and armchair type edge terminations o…
Zigzag edges of neutral armchair-oriented Graphene Nano-Ribbons show states strongly localized at those edges. They behave as free radicals that can capture electrons during processing, increasing ribbon's stability. Thus, charging and its consequences should be investigated.Total energy calculations of finite ribbons using spin polarized Density Functional Theory (DFT) show that ribbon's charging is feasible. Energies for Pariser-Parr-Pople (PPP) model Hamiltonian are compatible with DFT allowing the study of larger systems. Results for neutral ribbons indicate: i) the fundamental gap of spin…
We investigated the thermal conductivity K of graphene ribbons and graphite slabs as the function of their lateral dimensions. Our theoretical model considered the anharmonic three-phonon processes to the second-order and included the angle-dependent phonon scattering from the ribbon edges. It was found that the long mean free path of the long-wavelength acoustic phonons in graphene can lead to an unusual non-monotonic dependence of the thermal conductivity on the length L of a ribbon. The effect is pronounced for the ribbons with the smooth edges (specularity parameter p>0.5). Our results als…
We study the transport properties of graphene nanoribbons of standardized 30 nm width and varying lengths. We find that the extent of the gap observed in transport as a function of Fermi energy in these ribbons (the "transport gap") does not have a strong dependence on ribbon length, while the extent of the gap as a function of source-drain voltage (the "source-drain gap") increases with increasing ribbon length. We anneal the ribbons to reduce the amplitude of the disorder potential, and find that the transport gap both shrinks and moves closer to zero gate voltage. In contrast, annealing doe…
It is now possible to produce graphene nanoribbons (GNRs) with atomically defined widths. GNRs offer many opportunities for electronic devices and composites, if it is possible to establish the link between edge structure and functionalisation, and resultant GNR properties. Switching hydrogen edge termination to larger more complex functional groups such as hydroxyls or thiols induces strain at the ribbon edge. However we show that this strain is then relieved via the formation of static out-of-plane ripples. The resultant ribbons have a significantly reduced Young's Modulus which varies as a …
Heat flow in nanomaterials is an important area of study, with both fundamental and technological implications. However, little is known about heat flow in two-dimensional (2D) devices or interconnects with dimensions comparable to the phonon mean free path (mfp). Here, we find that short, quarter-micron graphene samples reach ~35% of the ballistic heat conductance limit up to room temperature, enabled by the relatively large phonon mfp (~100 nm) in substrate-supported graphene. In contrast, patterning similar samples into nanoribbons (GNRs) leads to a diffusive heat flow regime that is contro…
We study the band gap of finite $N_A=7$ armchair graphene nanoribbons (7-AGNRs) on Au(111) through scanning tunneling microscopy/spectroscopy combined with density functional theory calculations. The band gap of 7-AGNRs with lengths of 6 nm and more is converged to within 0.1 eV of its bulk value of 2.3 eV, while the band gap opens by several hundred meV in very short 7-AGNRs. The termination has a significant effect on the band gap, doubly hydrogenated termini yielding a lower band gap than singly hydrogenated ones.
Graphene electronics has motivated much of graphene science for the past decade. A primary goal was to develop high mobility semiconducting graphene with a band gap that is large enough for high performance applications. Graphene ribbons were thought to be semiconductors with these properties, however efforts to produce ribbons with useful bandgaps and high mobility has had limited success. We show here that high quality epitaxial graphene nanoribbons 40 nm in width, with annealed edges, grown on sidewall SiC are not semiconductors, but single channel room temperature ballistic conductors for …
Incorporation of magnetism in graphene based compounds holds great promise for potential spintronic applications. By optimizing point defects and high edge density of defects, we report many-fold increase in the ferromagnetic saturation moment in lacey reduced graphene oxide nanoribbons (LRGONR) as compared to other graphene derivatives. The samples were synthesized using chemical unzipping methodology. Detailed structural and morphological characterizations are discussed that include XRD, Raman, SEM, HRTEM and XPS measurements. Brilluoin function analysis to magnetization data reflects best f…
In crystalline materials, the creation and modulation of dislocations are often associated with plastic deformation and energy dissipation. Here we report a study on the energy dissipation of a trilayer graphene ribbon resonator. The vibration of the ribbon generates cyclic mechanical loading to the graphene ribbon, during which mechanical energy is dissipated as heat. Measuring the quality factor of the graphene resonator provides a way to evaluate the energy dissipation. The graphene ribbon is integrated with silicon micro actuators, allowing its in-plane tension to be finely tuned. As we gr…
Low-energy Landau levels of AB-stacked zigzag graphene ribbons in the presence of a uniform perpendicular magnetic field (\textbf{B}) are investigated by the Peierls coupling tight-binding model. State energies and associated wave functions are dominated by the \textbf{B}-field strength and the $k_z$-dependent interribbon interactions. The occupied valence bands are asymmetric to the unoccupied conduction bands about the Fermi level. Many doubly degenerate Landau levels and singlet curving magnetobands exist along $k_x$ and $k_z$ directions, respectively. Such features are directly reflected i…
Void defect is a possible origin of ferromagnetic like feature of pure carbon material. Applying density functional theory to void defect induced graphene nano ribbon (GNR), a detailed relationship between multiple spin state and structure change was studied. An equitorial triangle of an initial initial void having six electrons is distorted to isosceles triangle by rebonding carbon atoms. Among possible spin states, the most stable state was Sz=2/2. The case of Sz=4/2 is remarkable that initial flat ribbon turned to three dimentional curled one having highly polarized spin configuration at ri…
We investigate possible phase transitions among the different quantum anomalous Hall (QAH) phases in a zigzag graphene ribbon under the influence of the exchange field. The effective tight-binding Hamiltonian for graphene is made up of the hopping term, the Kane-Mele and Rashba spin-orbit couplings as well as the Haldane orbital term. We find that the variation of the exchange field results in bulk gap-closing phenomena and phase transitions occur in the graphene system. If the Haldane orbital coupling is absent, the phase transition between the chiral (anti-chiral) edge state $ν=+2$ ($ν=-2$) …
We present first-principles calculations of quantum transport in chemically doped graphene nanoribbons with a width of up to 4 nm. The presence of boron and nitrogen impurities is shown to yield resonant backscattering, whose features are strongly dependent on the symmetry and the width of the ribbon, as well as the position of the dopants. Full suppression of backscattering is obtained on the pi-pi* plateau when the impurity preserves the mirror symmetry of armchair ribbons. Further, an unusual acceptor-donor transition is observed in zig-zag ribbons. These unconventional doping effects could…
Nanostructured superlattices are promising materials for novel electronic devices due to their adjustable physical properties. Periodic superlattices facilitate coherent phonon thermal transport due to constructive wave interference at the boundaries between the materials. However, it is possible to induce a crossover from coherent to incoherent transport regimes by adjusting the superlattice period. We have recently observed such crossover in periodic graphene-boron nitride nanoribbons as the length of individual domains was increased. In general, transport properties are dominated by transla…
We consider the energy spectrum of the planar quantum well which consisted of two ribbons of narrow-gap semiconductors and a graphene ribbon between ones. It is shown that the gapless mode appears only in case of inverted narrow-gap semiconductors. Spin splitting of the energy spectrum for a nonsymmetric quantum well is calculated taking into account a specificity of graphene. We investigate interface states and optical transitions. It is shown that the optical transitions are possible only with a conservation of a parity.
Graphene on a substrate will suffer an inversion-symmetry-breaking (ISB) lattice potential. Taking electron-electron interaction into account, we study in this paper the possibility of half-metallicity and noncollinear (NC) magnetic phase for graphene zigzag nanoribbons without inversion symmetry. At half-filling it is found that half-metallic(HM) state can be achieved at an intermediate value of the ISB potential due to its competition with the electron-electron interaction. Away from half-filling, the phase diagrams of doping versus ISB potential for different ribbon width are given, where t…
An atomistic model based on the spin-restricted extended Huckel theory (EHT) is presented for simulating electronic structure and I-V characteristics of graphene devices. The model is applied to zigzag and armchair graphene nano-ribbons (GNR) with and without hydrogen passivation, as well as for bilayer graphene. Further calculations are presented for electric fields in the nano-ribbon width direction and in the bilayer direction to show electronic structure modification. Finally, the EHT Hamiltonian and NEGF (Nonequilibrium Green's function) formalism are used for a paramagnetic zigzag GNR to…
