By combining analytic and numerical methods, edge states on a finite width graphene ribbon in a magnetic field are studied in the framework of low-energy effective theory that takes into account the possibility of quantum Hall ferromagnetism (QHF) gaps and dynamically generated Dirac-like masses. The analysis is done for graphene ribbons with both zigzag and armchair edges. The characteristic features of the spectrum of the edge states in both these cases are described. In particular, the conditions for the existence of the gapless edge states are established. Implications of these results for the interpretation of recent experiments are discussed.
We investigate a possible correlation between spin orbit torque (SOT) and exchange-bias (EB) in IrMn-layer/ferromagnetic-ribbon heterostructure by performing magnetoimpedance (MI) measurements. To uncover this correlation, we benefit from EB training effect probed by MI effect at room temperature. A damping-like SOT driven by ac current through the antiferromagnetic IrMn applies to the ferromagnetic ribbon layer, determined by MI magnetic field and frequency sweeps. Importantly, magnitude of the SOT is observed to remain intact against EB training and decrease of EB through alternative magneti…
Graphene-nano-ribbon (GNR) is very attractive for ultra-high density spintronics devices. For checking a capability of self-induced ferromagnetic order, Fe- and FeO-modified GNR were analyzed based on the density functional theory. Model unit cells were [C32H2Fe2] and [C32H2Fe2O2]. Calculated results show the most stable spin state to be Sz=8/2 in [C32H2Fe2], whereas Sz=6/2 in [C32H2Fe2O2]. Magnetic moment M of Fe in [C32H2Fe2] was 3.65μB, which could be explained based on the Hund-rule considering donated charge to carbon to be M*=3.67μB . There is a capability of ferromagnetic Fe spin array …
Band gap control by an external field is useful in various optical, infrared and THz applications. However, widely tunable band gaps are still not practical due to variety of reasons. Using the orthogonal tight-binding method for $π$-electrons, we have investigated the effect of the external electric field on a subclass of monolayer chevron-type graphene nanoribbons that can be referred to as jagged graphene nanoribbons. A classification of such ribbons was proposed and band gaps for applied fields up to the SiO$_2$ breakdown strength ($1$ V/nm) were calculated. According to the tight-binding …
We proposed a minimal model to describe the Floquet band structure of two-dimensional materials with light-induced resonant inter-band transition. We applied it to graphene to study the band features caused by the light irradiation. Linearly polarized light induces pseudo gaps (gaps are functions of wavevector), and circularly polarized light causes real gaps on the quasi-energy spectrum. If the polarization of light is linear and along the longitudinal direction of zigzag ribbons, flat edge bands appear in the pseudo gaps, and if is in the lateral direction of armchair ribbons, curved edge ba…
The exchange-bias training effect in IrMn-layer/ferromagnetic-ribbon heterostructure is studied by performing magnetoimpedance (MI) measurements. Asymmetric, hysteretic and single peak behavior of the MI response and a shift in the MI peak to zero fields accompanied by 52% increase in MI has been detected as the signature of the exchange bias (EB) and training effect (TE), respectively. Also, during the consecutive filed sweep of MI response, both EB field and the degree of asymmetry of MI decrease that is another reason for existence of TE in our sample. The analysis of the magneto-optical Ke…
We have investigated, using effective mass approach (EMA), magnetic properties of a one-dimensional electron gas in graphene armchair ribbons when the electrons of occupy only the lowest conduction subband. We find that magnetic properties of the one-dimensional electron gas may depend sensitively on the width of the ribbon. For ribbon widths $L_x=3Ma_0$, a critical point separates ferromagnetic and paramagnetic states while for $L_x=(3M+1)a_0$ paramagnetic state is stable ($M$ is an integer and $a_{0}$ is the length of the unit cell). These width-dependent properties are a consequence of eige…
When a flow of electron passes through a paramagnetic layer with strong spin-orbit-coupling such as platinum (Pt), a net spin current is produced via spin Hall effect (SHE). This spin current can exert a torque on the magnetization of an adjacent ferromagnetic layer which can be probed via magnetization dynamic response, e.g. spin-torque ferromagnetic resonance (ST-FMR). Nevertheless, that effect in lower frequency magnetization dynamic regime (MHz) where skin effect occurs in high permeability ferromagnetic conductors namely the magneto-impedance (MI) effect can be fundamentally important whi…
Here, we predict the effect of the spontaneous deformation of a flexible ferromagnetic ribbon induced by Dzyaloshinskii-Moriya interaction (DMI). The geometrical form of the deformation is determined both by the type of DMI and by the equilibrium magnetization of the stripe. We found three different geometrical phases, namely (i) the DNA-like deformation with the stripe central line in the form of a helix, (ii) the helicoid deformation with the straight central line and (iii) cylindrical deformation. In the main approximation the magnitude of the DMI-induced deformation is determined by the ra…
Two types of graphene nanoribbons: (a) potassium-split graphene nanoribbons (GNRs), and (b) oxidative unzipped and chemically converted graphene nanoribbons (CCGNRs) were investigated for their magnetic properties using the combination of static magnetization and electron spin resonance measurements. The two types of ribbons possess remarkably different magnetic properties. While the low temperature ferromagnet-like feature is observed in both types of ribbons, such room temperature feature persists only in potassium-split ribbons. The GNRs show negative exchange bias, but the CCGNRs exhibit a…
Towards spin selective electronics made of three coordinated carbon atoms, here we computationally propose robust and reversibly bias driven evolution of pristine undoped graphene nano-ribbons(GNR) into ferromagnetic-semiconductor, metal or a half metal, irrespective of their edge configurations. The evolution is a result of a rare ferromagnetic(FM) order emerging among nearest neighbouring(n-n) sites, in positively biased regions in their in-homogeneous bias unit-cells, in attempt to cooperatively minimise on-site Coulomb repulsion and kinetic energy, while maximising localization of electron…
We investigate electronic transport in lithographically patterned graphene ribbon structures where the lateral confinement of charge carriers creates an energy gap near the charge neutrality point. Individual graphene layers are contacted with metal electrodes and patterned into ribbons of varying widths and different crystallographic orientations. The temperature dependent conductance measurements show larger energy gaps opening for narrower ribbons. The sizes of these energy gaps are investigated by measuring the conductance in the non-linear response regime at low temperatures. We find that…
In this study, we analyze the band structure, the state characterization, and electronic transport of monolayer black phosphorus (phosphorene) zigzag nanoribbons (zPNRs) and armchair nanoribbons (aPNRs), using five-parameter tight-binding (TB) approximation. In zPNRs, the ratio of the two dominant hopping parameters indicates the possibility of a relativistic dispersion relation and the existence of a pair of separate quasi-flat bands at the Fermi level. Moreover, the corresponding states are edge localized if their bands are well separated from the valence and conduction bands. We also invest…
Magnetic properties and band characteristics of graphene-nano-ribbon (GNR) modified by Fe, Co, and Ni were analyzed by the first principles DFT calculation. Typical unit cell is [C32H2Fe1], [C32H2Co1] and [C32H2Ni1] respectively. The most stable spin state was Sz=4/2 for Fe-modified GNR, whereas Sz=3/2 for Co-case and Sz=2/2 for Ni-case. Atomic magnetic moment of Fe, Co and Ni were 3.63, 2.49 and 1.26 μB, which were reduced values than that of atomic Hund-rule due to magnetic coupling with graphene network. There is a possibility for a ferromagnetic Fe, Co and Ni spin array through an interact…
We study the transport properties of a monolayer transition metal dichalcogenide (TMDC) ribbon subject to a time periodic circularly polarized laser field. First, we calculate the quasienergy spectrum within the framework of the Floquet theory and analyze the nontrivial topology of the Floquet bulk gaps. The later is revealed by the presence of chiral edge states inside the bulk gaps in finite samples, in agreement with the calculation of the appropriate winding numbers as a function of both the energy and the amplitude of the laser field. The effect of the time dependent perturbation on the e…
We investigate experimentally and theoretically the magnetization reversal process in one-dimensional magnonic structures composed of permalloy nanowires of the two different widths and finite length arranged in a periodic and quasiperiodic order. The main features of the hysteresis loop are determined by different shape anisotropies of the component elements and the dipolar interactions between them. We showed, that the dipolar interactions between nanowires forming a ribbon can be controlled by change a distance between the neighboring ribbons. The quasiperiodic order can influence the hyste…
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…
We present calculations of electronic quantum transport in graphene nanoribbons with adsorbed H, F, OH and O, based on a tight binding model derived from extended Huckel theory. The relaxed atomic geometries of the adsorbates and graphene are calculated using density functional theory. Our model includes the effects of the local rehybridization of the graphene from the sp2 to sp3 electronic structure that occurs when H, F, OH or O bonds covalently to the graphene. It captures the physics of the scattering resonances that are induced in the graphene near the Dirac point by the presence of these…
Electronic transport in a graphene-based ferromagnetic/normal/ferromagnetic junction is investigated by means of Landauer-Büttiker formulism and the nonequilibrium Green's function technique. For the zigzag edge case, the results show that the conductance is always larger than $e^{2}/h$ for the parallel configuration of lead magnetizations, but for the antiparallel configuration the conductance becomes zero because of the band-selective rule. So a magnetoresistance (MR) plateau emerges with the value 100% when the Fermi energy is located around the Dirac point. Besides, choosing narrower graph…
We study the edge magnetization of bilayer graphene ribbons with zigzag edges. The presence of flat edge-state bands at the Fermi energy of undoped bilayer, which gives rise to a strong peak in the density of states, makes bilayer ribbons magnetic at the edges even for very small on-site electronic repulsion. Working with the Hubbard model in the Hartree Fock approximation we show that the magnetic structure in bilayer ribbons with zigzag edges is ferromagnetic along the edge, involving sites of the two layers, and antiferromagnetic between opposite edges. It is also shown that this magnetic s…
We present a new mechanism for dissipationless persistent charge current. Two dimensional topological insulators hold dissipationless spin currents in their edges so that, for a given spin orientation, a net charge current flows which is exactly compensated by the counter-flow of the opposite spin. Here we show that ferromagnetic order in the edge upgrades the spin currents into persistent charge currents, without applied fields. For that matter, we study an interacting graphene zigzag ribbon with spin-orbit coupling. We find three electronic phases with magnetic edges that carry currents reac…
We report on the configurations and electronic properties of graphyne and graphdiyne nanoribbons with armchair and zigzag edges investigated with first principles calculations. Our results show that all the nanoribbons are semiconductors with suitable band gaps similar to silicon. And their band gaps decrease as widths of nanoribbons increase. We also find that the band gap is at the Gamma point for all graphdiyne ribbons and it is at the X point for all graphyne ribbons. Of particular interest, the band gap of zigzag graphyne nanoribbons show a unique step effect as the width increases. This …
Zigzag graphene nanoribbons can have magnetic ground states with ferromagnetic, antiferromagnetic, or canted configurations, depending on carrier density. We show that an electric field directed across the ribbon alters the magnetic state, favoring antiferromagnetic configurations. This property can be used to prepare ribbons with a prescribed spin-orientation on a given edge.
We show strong effects of a weak and smooth, on the magnetic length, superlattice potential upon edge magnetoplasmons (EMPs) at the armchair edge, with a smooth steplike electrostatic lateral confining potential, of a wide graphene channel in the $ν=2$ quantum Hall effect regime. The superlattice potential leads to essential enlargement of a number of EMPs, descend from two fundamental EMPs in the absence of superlattice. For the wave vector $k_{x}$ within the first Brillouin zone, the EMPs show as the regions of acoustical or quasi-acoustical dispersion, with a finite value of group velocity,…
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.…
Electron transport in small graphene nanoribbons is studied by microwave emulation experiments and tight-binding calculations. In particular, it is investigated under which conditions a transport gap can be observed. Our experiments provide evidence that armchair ribbons of width $3m+2$ with integer $m$ are metallic and otherwise semiconducting, whereas zigzag ribbons are metallic independent of their width. The contact geometry, defining to which atoms at the ribbon edges the source and drain leads are attached, has strong effects on the transport. If leads are attached only to the inner atom…
The electronic and magnetic properties of ZrS2 nanoribbons (NRs) are investigated based on the first-principles calculations. It is found that the ZrS2 NRs with armchair edges are all indirect-band-gap semiconductors without magnetism and the band-gap exhibits odd-even oscillation behavior with the increase of the ribbon width. For the NRs with zigzag edges, those with both edges S-terminated are nonmagnetic direct-band-gap semiconductors and the gap decreases monotonically as a function of the ribbon width. However, the NRs with one edge S-terminated and the other edge Zr-terminated are ferro…
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…
Nanoribbons produced from cutting β_12-Borophene sheet is investigated by density functional theory. The electronic and magnetic properties of Borophene nanoribbons are studied and found that all considered ribbons are metal which is in good agreement with recent experimental results. β_12-Borophene nanoribbons have a lot of diversity due to existence of 5 Boron atoms in a unit cell of the sheet. The magnetic properties of ribbons are strongly dependent on the cutting direction and the edge profile. It is interesting that a ribbon with a specific width can be a normal or ferromagnetic metal wi…
By computing spin-polarized electronic transport across a finite zigzag graphene ribbon bridging two metallic graphene electrodes, we demonstrate, as a proof of principle, that devices featuring 100% magnetoresistance can be built entirely out of carbon. In the ground state a short zig-zag ribbon is an antiferromagnetic insulator which, when connecting two metallic electrodes, acts as a tunnel barrier that suppresses the conductance. Application of a magnetic field turns the ribbon ferromagnetic and conducting, increasing dramatically the current between electrodes. We predict large magnetores…
Zigzag graphene nanoribb ons have spin-polarized edges, anti-ferromagnetically coupled in the ground state with total spin zero. Customarily, these ribbons are made ferromagnetic by producing an imbalance between the two sublattices. Here we show that zigzag ribbons can be ferromagnetic due to the presence of reconstructed divacancies near one edge. This effect takes place despite the divacancies are produced by removing two atoms from opposite sublattices, being balanced before reconstruction to 5-8-5 defects. We demonstrate that there is a strong interaction between the defect-localized and …
A single-atom vacancy defect and its array in graphene and graphite were considered to be one candidate carrying the room-temperature ferromagnetism. Applying density functional theory to a single-atom vacancy in graphene-nano-ribbon (GNR), a detailed relationship between the multiple-spin-state and the Jahn-Teller distortion was studied. An equilateral triangle of an initial vacancy having six unpaired electrons had distorted to isosceles triangle by the Jahn-Teller effect. Among capable spin-state of Sz=6/2, 4/2 and 2/2, the most stable one was Sz=2/2. Total energy was 15.6 kcal/mol lower (s…
Transport measurements on an etched graphene nanoribbon are presented. It is shown that two distinct voltage scales can be experimentally extracted that characterize the parameter region of suppressed conductance at low charge density in the ribbon. One of them is related to the charging energy of localized states, the other to the strength of the disorder potential. The lever arms of gates vary by up to 30% for different localized states which must therefore be spread in position along the ribbon. A single-electron transistor is used to prove the addition of individual electrons to the locali…
We calculate the band structure and the conductance of periodic corrugated graphene nanoribbons within the framework of the tight-binding $p$-orbital model. We consider corrugated structures based on host ribbons with armchair and zigzag edges and three different types of corrugations (armchair edges, zigzag edges as well as a rectangular corrugation). We demonstrate that for armchair host ribbons, depending on the type of corrugation, a band gap or low-velocity minibands appear near the charge neutrality point. For higher energies the allowed Bloch state bands become separated by mini-stopban…
We investigate chiral graphene nanoribbons using projective quantum Monte Carlo simulations within the local Hubbard model description and study the effects of electron-electron interactions on the electronic and magnetic properties at the ribbon edges. Static and dynamical properties are analyzed for nanoribbons of varying width and edge chirality, and compared to a self-consistent Hartee-Fock mean-field approximation. Our results show that for chiral ribbons of sufficient width, the spin correlations exhibit exceedingly long correlation lengths, even between zigzag segments that are well sep…
A zigzag edge of a graphene nanoribbon supports localized zero modes, ignoring interactions. Based mainly on mean field arguments and numerical approaches, it has been suggested that interactions can produce a large magnetic moment on the edges. By considering the Hubbard model in the weak coupling limit, U<<t, for bearded as well as zigzag edges, we argue for such a magnetic state, based on Lieb's theorem. Projecting the Hubbard interactions onto the flat edge band, we then prove that resulting 1 dimensional model has a fully polarized ferromagnetic ground state. We also study excitons and th…
We describe charging a quantum dot induced electrostatically within a semiconducting graphene nanoribbon by electrons or holes. The applied model is based on a tight-binding approach with the electron-electron interaction introduced by a mean field local spin density approximation. The numerical approach accounts for the charge of all the $p_z$ electrons and screening of external potentials by states near the charge neutrality point. Both a homogenous ribbon and a graphene flake embedded within the ribbon are discussed. The formation of transport gaps as functions of the external confinement p…
We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green's function approach within the GW approximation. Because of the quasi-one-dimension nature of a GNR, electron-electron interaction effects due to the enhanced screened Coulomb interaction and confinement geometry greatly influence the quasiparticle band gap. Compared with previous tight-binding and density functional theory studies, our calculated quasiparticle band gaps show significant self-energy corrections for both armchair and zigzag …
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…
We study quantum transport in honeycomb lattice ribbons with either armchair or zigzag edges. The ribbons are coupled to semi-infinite linear chains serving as the input and output leads and we use a tight-binding Hamiltonian with nearest-neighbor hops. For narrow ribbons we find transmission gaps for both types of edges. The center of the gap is at the middle of the band in ribbons with armchair edges. This symmetry is due to a property satisfied by the matrices in the resulting linear problem. In ribbons with zigzag edges the gap center is displaced to the right of the middle of the band. We…
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…
Coherent spin-dependent transport through a junction containing of Normal/Ferromagnetic/Normal bilayer graphene nanoribbon with zigzag edges is investigated by using Landauer formalism. In a more realistic set-up, the exchange field is induced by two ferromagnetic insulator strips deposited on the ribbon edges while a perpendicular electric field is applied by the top gated electrodes. Our results show that, for antiparallel configuration, a band gap is opened giving rise a semiconducting behavior, while for parallel configuration, the band structure has no band gap. As a result, a giant magne…
Graphene nanoribbons (GNRs) are one-dimensional (1D) structures that exhibit a rich variety of electronic properties1-17. Therefore, they are predicted to be the building blocks in next-generation nanoelectronic devices. Theoretically, it has been demonstrated that armchair GNRs can be divided into three families, i.e., Na = 3p, Na = 3p + 1, and Na = 3p + 2 (here Na is the number of dimer lines across the ribbon width and p is an integer), according to their electronic structures, and the energy gaps for the three families are quite different even with the same p1,3-6. However, a systematic ex…
We use quantum Monte Carlo method to study the indirect coupling between two magnetic impurities on the zigzag edge of graphene ribbon, with respect to the chemical potential $μ$. We find that the spin-spin correlation between two adatoms located on the nearest sites in the zigzag edge are drastically suppressed around the zero-energy. As we switch the system away from half-filling, the antiferromagnetic correlation is first enhanced and then decreased. If the two adatoms are adsorbed on the sites belonging to the same sublattice, we find similar behavior of spin-spin correlation except for a …
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 …
Strain fold-like deformations on armchair graphene nanoribbons (AGNRs) can be properly engineered in experimental setups, and could lead to a new controlling tool for gaps and transport properties. Here, we analyze the electronic properties of folded AGNRs relating the electronic responses and the mechanical deformation. An important and universal parameter for the gap engineering is the ribbon percent width variation, i.e., the difference between the deformed and undeformed ribbon widths. AGNRs bandgap can be tuned mechanically in a well defined bounded range of energy values, eventually lead…
The large change in electromagnetic impedance in ferromagnetic state of soft magnetic metals in presence of biasing magnetic field is associated with change in screening of electromagnetic field. The screening depends on the permeability of the metal. Apart from dependence on intrinsic properties of metal the permeability depends on size of the sample. It is observed that the decrease in MI in amorphous ferromagnetic ribbon of Fe40Ni40B20 alloy is large for long sample whereas corresponding change is small for short one with same biasing field. As intrinsic magnetic properties and bias field a…
Mechanical deformations of graphene induce a term in the Dirac Hamiltonian which is reminiscent of an electromagnetic vector potential. Strain gradients along particular lattice directions induce local pseudomagnetic fields and substantial energy gaps as indeed observed experimentally. Expanding this analogy, we propose to complement the pseudomagnetic field by a pseudoelectric field, generated by a time dependent oscillating stress applied to a graphene ribbon. The joint Hall-like response to these crossed fields results in a strain-induced charge current along the ribbon. We analyze in detai…
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…
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…
Quasi one-dimensional nanoribbons are excellent candidates for nanoelectronics, therefore here we investigate by means of density functional theory the structure and electronic properties of a new kind of 1D ribbons, namely: centered honeycomb NiSe2 nanoribbons. Depending on the crystallography and atomic composition of the edges, these ribbons can belong to one of six (two) zigzag (armchair) families. In the zigzag families, after edge reconstruction, all the bare ribbons are metallic. The influence of edge hydrogen passivation produces band gaps in two of the six families. For the armchair n…
The simple Hubbard Hamiltonian with the mean field approximation is used to know about the energy bands and spin susceptibilities of zigzag graphene nanoribbons. Depending on the electron doping, antiferromagnetic or ferromagnetic configurations are possible; in the former, an energy gap exits which is proportional to the Hubbard parameter, while in the latter the up and down spin bands intersect the Fermi level. Due to the two dimensional nature of the system, a susceptibility square matrix is necessary to explain the self-correlations and correlations between spins in the ribbon unit cell. T…
Two-dimensional polyaniline sheet has been recently synthesized and found that it is a semiconductor with indirect band gap. Polyaniline nanoribbons decomposed from two-dimensional polyaniline sheet (C3N sheet) are investigated using density functional theory. The existence of nitrogen atoms in the edge of the ribbons increases stability and magnetization of the ribbons and make them different from graphene nanoribbons. Unsaturated nanoribbons are magnetic metals so that armchair C3N nanoribbons are gap-less spin semicon- ductors in the antiferromagnetic state and half-metals in the ferromagne…
We demonstrate that giant current and high spin rectification ratios can be achieved in atomic carbon chain devices connected between two symmetric ferromagnetic zigzag-graphene-nanoribbon electrodes. The spin dependent transport simulation is carried out by density functional theory combined with the non-equilibrium Green's function method. It is found that the transverse symmetries of the electronic wave functions in the nanoribbons and the carbon chain are critical to the spin transport modes. In the parallel magnetization configuration of two electrodes, pure spin current is observed in bo…
Ballistic quantum transport calculations based on the non-equilbrium Green's function formalism show that field-effect transistor devices made from chevron-type graphene nanoribbons (CGNRs) could exhibit negative differential resistance with peak-to-valley ratios in excess of 4800 at room temperature as well as steep-slope switching with 6 mV/decade subtheshold swing over five orders of magnitude and ON-currents of 88$μ$A/$μ$m. This is enabled by the superlattice-like structure of these ribbons that have large periodic unit cells with regions of different effective bandgap, resulting in miniba…
The rules that govern spin exchange interaction in pristine graphene nanostructures are constrained by the bipartite character of the lattice, so that the sign of the exchange is determined by whether magnetic moments are on the same sublattice or else. The synthesis of graphene ribbons with perfect zigzag edges and a fluoranthene group with a pentagon ring, a defect that breaks the bipartite nature of the honeycomb lattice, has been recently demonstrated. Here we address how the electronic and spin properties of these structures are modified by such defects, both for indirect exchange interac…
Magnetic order emerging in otherwise non-magnetic materials as carbon is a paradigmatic example of a novel type of s-p electron magnetism predicted to be of exceptional high-temperature stability. It has been demonstrated that atomic scale structural defects of graphene can host unpaired spins. However, it is still unclear under which conditions long-range magnetic order can emerge from such defect-bound magnetic moments. Here we propose that in contrast to random defect distributions, atomic scale engineering of graphene edges with specific crystallographic orientation, comprising edge atoms …
Electronic structures of the zigzag bilayer graphite nanoribbons(Z-BGNR) with various ribbon width $N$ are studied within the tight binding approximation. Neglecting the inter-layer hopping amplitude $γ_4$, which is an order of magnitude smaller than the other inter-layer hopping parameters $γ_1$ and $γ_3$, there exist two fixed Fermi points $\pm k^*$ independent of the ribbon width with the peculiar energy dispersion near $k^*$ as $\ve (k) \sim \pm (k-k^*)^N$. By investigating the edge states of the Z-BGNR, we notice that the trigonal warping of the bilayer graphene sheets are reflected on in…
We investigated the emergence of spin spiral ground state induced by the electric field in the bilayer zigzag graphene nanoribbons for the ferromagnetic edge states. To do that, we employed the generalized Bloch theorem to create flat spiral alignments for all the magnetic moments of carbon atoms at the edges within a constraint scheme approach. While the small ribbon width can preserve the ferromagnetic ground state, the large one shows the spiral ground state starting from a certain value of the electric field. We also pointed out that the spiral ground state is caused by the reduction of sp…
In this study, we investigate the electronic and magnetic properties of graphane nanoribbons. We find that zigzag and armchair graphane nanoribbons with H-passivated edges are nonmagnetic semiconductors. While bare armchair ribbons are also nonmagnetic, adjacent dangling bonds of bare zigzag ribbons have antiferromagnetic ordering at the same edge. Band gaps of the H-passivated zigzag and armchair nanoribbons exponentially depend on their width. Detailed analysis of adsorption of C, O, Si, Pt, Ti, V and Fe atoms on the graphane ribbon surface reveal that functionalization of graphane ribbons i…
