The effects of electron interaction on the magnetoconductance of graphene nanoribbons (GNRs) are studied within the Hartree approximation. We find that a perpendicular magnetic field leads to a suppression instead of an expected improvement of the quantization. This suppression is traced back to interaction-induced modifications of the band structure leading to the formation of compressible strips in the middle of GNRs. It is also shown that the hard wall confinement combined with electron interaction generates overlaps between forward and backward propagating states, which may significantly enhance backscattering in realistic GNRs. The relation to available experiments is discussed.
We study numerically the effects of edge and bulk disorder on the conductance of graphene nanoribbons. We compute the conductance suppression due to localization induced by edge scattering. We find that even for weak edge roughness, conductance steps are suppressed and transport gaps appear. These gaps are approximately inversely proportional to the nanoribbon width. On/off conductance ratios grow exponentially with the nanoribbon length. Our results impose severe limitations to the use of graphene in ballistic nanowires.
Conductance fluctuations produced by the presence of disorder in zigzag and armchair graphene nanoribbons are studied. We show that quantum transport in zigzag nanoribbons takes place via edge states which are exponentially localized, as in the standard Anderson localization problem, whereas for armchair nanoribbons the symmetry of the graphene sublattices produces anomalous localization, or delocalization. We show that these two different electron localizations lead to significant differences of the conductance statistics between zigzag and armchair nanoribbons. In particular, armchair nanori…
We investigate spin conductance in zigzag graphene nanoribbons and propose a spin injection mechanism based only on graphitic nanostructures. We find that nanoribbons with atomically straight, symmetric edges show zero spin conductance, but nonzero spin Hall conductance. Only nanoribbons with asymmetrically shaped edges give rise to a finite spin conductance and can be used for spin injection into graphene. Furthermore, nanoribbons with rough edges exhibit mesoscopic spin conductance fluctuations with a universal value of $\mathrm{rms} G_\mathrm{s}\approx 0.4 e/4π$.
We study the charge and spin transport in a two terminal graphene nanoribbon (GNR) decorated with random Gold (Au) adatoms using a Kane-Mele model. Two commonly used GNRs, that is, the armchair graphene nanoribbon (AGNR) and the zigzag graphene nanoribbon (ZGNR) are compared and contrasted, which shows that in presence of Au adatoms, a somewhat robust $2e^2/h$ conductance plateau occurs in the case of AGNR around the zero of the Fermi energy, while in ZGNR this plateau is fragile. We show that this flat plateau, having a conductance value $2e^2/h$, is not a hallmark signature of a topologicall…
We study the transport properties of a twisted bilayer graphene flake contacted by two monolayer nanoribbons which act as leads. We analyze the conductance in terms of the spectra of the bilayer nanoribbon and the monolayer contacts. The low-energy transport properties are governed by the edge states with AB stacking. Remarkably, the electronic conductance in this energy region does not depend much on the relative position of the leads, in contrast with that of bilayer flakes with more symmetric stackings. We attribute this feature to the localization of these low-energy states in the AB edge …
We calculate the spin-dependent zero-bias conductance $G_{σσ'}$ in armchair graphene nanoribbons with hydrogen adsorbates employing a DFT-based ab initio transport formalism including spin-orbit interaction. We find that the spin-flip conductance $G_{σ\barσ}$ can reach the same order of magnitude as the spin-conserving one, $G_{σσ}$, due to exchange-mediated spin scattering. In contrast, the genuine spin-orbit interaction appears to play a secondary role, only.
We study the conductance of graphene nanoribbons with long-range disorder. Due to the absence of intervalley scattering from the disorder potential, time-reversal symmetry (TRS) can be effectively broken even without a magnetic field, depending on the type of ribbon edge. Even though armchair edges generally mix valleys, we show that metallic armchair nanoribbons possess a hidden pseudovalley structure and effectively broken TRS. In contrast, semiconducting armchair nanoribbons inevitably mix valleys and restore TRS. As a result, in strong disorder metallic armchair ribbons exhibit a perfectly…
We investigate spin transport in diffusive graphene nanoribbons with both clean and rough zigzag edges, and long-range potential fluctuations. The long-range fields along the ribbon edges cause the local doping to come close to the charge neutrality point forming $p$-$n$ junctions with localized magnetic moments, similar to the predicted magnetic edge of clean zigzag graphene nanoribbons. The resulting random edge magnetization polarizes charge currents and causes sample-to-sample fluctuations of the spin currents obeying universal predictions. We show furthermore that, although the average sp…
We provide a theoretical study of the conductance response of systems based on graphene nanoribbon to the potential of a scanning probe. The study is based on the Landauer approach for the tight-binding Hamiltonian with an implementation of the quantum transmitting boundary method and covers homogenous nanoribbons, their asymmetric narrowing and quantum point contacts of various profiles. The response maps at low Fermi energies resolve formation of n-p junctions induced by the probe potential and a presence of zigzag-armchair segments of the edges for inhomogeneous ribbons. For an asymmetric n…
We investigate the mesoscopic disorder induced rms conductance variance $δG$ in a few layer graphene nanoribbon (FGNR) contacted by two superconducting (S) Ti/Al contacts. By sweeping the back-gate voltage, we observe pronounced conductance fluctuations superimposed on a linear background of the two terminal conductance G. The linear gate-voltage induced response can be modeled by a set of inter-layer and intra-layer capacitances. $δG$ depends on temperature T and source-drain voltage $V_{sd}$. $δG$ increases with decreasing T and $|V_{sd}|$. When lowering $|V_{sd}|$, a pronounced cross-over a…
We investigate the combined influence of structural defects and uniaxial longitudinal strain on the electronic transport properties of armchair graphene nanoribbons using the numerical approach based on the semiempirical tight-binding model, the Landauer formalism, and the recursion method for Green functions. We calculate the conductance of graphene nanoribbons in the quantum coherent regime with different types and concentrations of defects. Further, we apply uniform planar tension to the nonideal graphene ribbons with randomly distributed and oriented single and double vacancies and Stone-W…
We compute the terahertz third-order nonlinear conductance of metallic armchair graphene nanoribbons using time-dependent perturbation theory. Significant enhancement of the intrinsic third-order conductance over the result for instrinsic 2D single-layer graphene is observed over a wide range of temperatures. We also investigate the nonlinear response of extrinsic metallic acGNR with |E_F|<<200 meV. We find that the third-order conductance exhibits a strong Fermi level dependence at low temperatures. A third-order critical field strength of between 1 and 5 kV/m is computed for the Kerr conduct…
We investigate the nonequilibrium transport properties of a silicene armchair nanoribbon with a random distribution of adsorbed atoms in apex positions. A ferromagnetic insulator grown below the nanoribbon splits spin-up and spin-down electron bands and gives rise to a spin polarization of the conductance. The conductance vanishes when the Fermi energy matches the adatom levels due to the coupling of adatom localized states with the continuum spectra of the nanoribbon. This is the well-known Fano effect, resulting in a spin-dependent antiresonance in the conductance. The different antiresonanc…
We theoretically study the effect of transverse electric potentials on the transport properties of armchair graphene nanoribbons (AGNRs), formed by pairs of asymme-tric gates placed along the side of the ribbon. Single pair and dual pair configurations are considered. We also examine the effect of hollows (spatial regions void of carbon atoms) in the AGNR channels. We find that the use of hollowed AGNRs in the dual pair configuration allows for a significant modulation of the transport gap, when the two pairs have opposite polarity of gate bias. Furthermore, we show that for the dual-gate syst…
We investigate theoretically the electronic transport properties in narrow graphene ribbons with an adatom-induced defect. It is found that the lowest conductance step of a metallic graphene nanoribbon may develop a dip even down to zero at certain values of the Fermi energy due to the defect. Accompanying the occurrence of the conductance dip, a loop current develops around the defect. We show how the properties of the conductance dip depend on the parameters of the defect, such as the relative position and severity of the defect as well as the width and edges of the graphene ribbons. In part…
We investigate the density and temperature-dependent conductance of graphene nanoribbons with varying aspect ratio. Transport is dominated by a chain of quantum dots forming spontaneously due to disorder. Depending on ribbon length, electron density, and temperature, single or multiple quan- tum dots dominate the conductance. Between conductance resonances cotunneling transport at the lowest temperatures turns into activated transport at higher temperatures. The density-dependent activation energy resembles the Coulomb gap in a quantitative manner. Individual resonances show signatures of mult…
In this work we address the effects on the conductance of graphene nanoribbons (GNRs) at which organic molecules are side-attached on the ribbon ends. For simplicity, only armchair (AGNRs) and zigzag (ZGNRs) nanoribbons are considered and quasi one-dimensional molecules, such as linear poly-aromatic hydrocarbon (LPHC) and poly(para-phenylene), are chosen. The conductance of the GNRs exhibit a particular behavior as a function of the length of the organic molecules: the energy spectrum of the quasi one-dimensional system is clearly reflected in the conductance curves of the GNRs. The results su…
We report the experimental observation of conductance quantization in graphene nanoribbons, where 1D transport subbands are formed due to the lateral quantum confinement. We show that this quantization in graphene nanoribbons can be observed at temperatures as high as 80 K and channel lengths as long as 1.7 $μ$m. The observed quantization is in agreement with that predicted by theoretical calculations.
We theoretically investigate the electron transport in armchair and zigzag graphene nanoribbons (GNRs) chemically functionalized with p-polyphenyl and polyacene groups of increasing length. Our nearest-neighbor tight-binding calculations indicate that, depending on whether the number of aromatic rings in the functional group is even or odd, the resulting conductance at energies matching the energy levels of the corresponding isolated molecule are either unaffected or reduced by exactly one quantum as compared to the pristine GNR, respectively. Such an even-odd effect is shown to originate from…
To address the robustness of the transport gap induced by locally strained regions in graphene nanostructures, the effect of disorder and smoothness of the interface region is investigated within the Landauer-Büttiker formalism. The electronic conductance across strained junctions and barriers in graphene nanoribbons is calculated numerically, with and without various types of disorder, and comparing smooth and sharp strain junctions. A smooth strain barrier in graphene is seen to be generically as efficient in suppressing transport at low densities as a sharp one, and the critical density (or…
Thermal conductance of graphene nanoribbons (GNRs) with the width varying from 0.5 to 35 nm is systematically investigated using nonequilibrium Green's function method. Anisotropic thermal conductance is observed with the room temperature thermal conductance of zigzag GNRs up to ~ 30% larger than that of armchair GNRs. At room temperature, the anisotropy is found to disappear until the width is larger than 100 nm. This intrinsic anisotropy originate from different boundary condition at ribbon edges, and can be used to tune thermal conductance, which have important implications for the applicat…
We investigate the effects of homogeneous and inhomogeneous deformations and edge disorder on the conductance of gated graphene nanoribbons. Under increasing homogeneous strain the conductance of such devices initially decreases before it acquires a resonance structure, and finally becomes completely suppressed at larger strain. Edge disorder induces mode mixing in the contact regions, which can restore the conductance to its ballistic value. The valley-antisymmetric pseudo-magnetic field induced by inhomogeneous deformations leads to the formation of additional resonance states, which either …
We study the conductance through two types of graphene nanostructures: nanoribbon junctions in which the width changes from wide to narrow, and curved nanoribbons. In the wide-narrow structures, substantial reflection occurs from the wide-narrow interface, in contrast to the behavior of the much studied electron gas waveguides. In the curved nanoribbons, the conductance is very sensitive to details such as whether regions of a semiconducting armchair nanoribbon are included in the curved structure -- such regions strongly suppress the conductance. Surprisingly, this suppression is not due to t…
The electronic and transport properties of an extended linear defect embedded in a zigzag nanoribbon of realistic width are studied, within a tight binding model approach. Our results suggest that such defect profoundly modify the properties of the nanoribbon, introducing new conductance quantization values and modifying the conductance quantization thresholds. The linear defect along the nanoribbon behaves as an effective third edge of the system, which shows a metallic behavior, giving rise to new conduction pathways that could be used in nanoscale circuitry as a quantum wire.
We combine density-functional theory and the nonequilibrium Green's function method to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges. Zigzag ribbons have higher thermal conductance than armchair ribbons of comparable widths due to an anisotropy in phonon dispersion for graphene nanoribbons: low-frequency bands in zigzag ribbons are more dispersive than those in armchair ribbons. The edges with and without hydrogen-passivation modify the atomic structure and ultimately influence the phonon thermal transport differently for the two ribbon types.
We present an ab initio study of the structural, electronic, and quantum transport properties of B-N-complex edge-doped graphene nanoribbons (GNRs). We find that the B-N edge codop-ing is energetically a very favorable process and furthermore can achieve novel doping effects that are absent for the single B or N doping. The compensation effect between B and N is predicted to generally recover the excellent electronic transport properties of pristine GNRs. For the zigzag GNRs, however, the spatially localized B-N defect states selectively destroy the doped-side spin-polarized GNR edge currents …
We numerically study the effect of the edge states on the conductance and thermopower in zigzag phosphorene nanoribbons (ZPNRs) based on the tight-binding model and the scattering-matrix method. It is interesting to find that the band dispersion, conductance, and thermopower can be modulated by applying a bias voltage and boundary potentials to the two layers of the ZPNRs. Under the certain bias voltage, the two-fold degenerate quasi-flat edge bands split perfectly. The conductance can be switched off, and the thermopower around zero energy increases. In addition, when only the boundary potent…
We reveal that there exists a class of graphene structures (a sub-class of bilayer graphene nanoribbons) which has unusually strong optical response in the terahertz (THz) and far infrared (FIR) regime. The peak conductance of terahertz/FIR active bilayer ribbons is around two orders of magnitude higher than the universal conductance of $e^2/4\hbar$ observed in graphene sheets. The criterion for the terahertz/FIR active sub-class is a bilayer graphene nanoribbon with one-dimensional massless Dirac Fermion energy dispersion near the $Γ$ point. Our results overcome a significant obstacle that hi…
Conductance fluctuation is usually unavoidable in graphene nanoribbons (GNR) due to the presence of disorder along its edges. By measuring the low-frequency noise in GNR devices, we find that the conductance fluctuation is strongly correlated with the density-of-states of GNR. In single-layer GNR, the gate-dependence of noise shows peaks whose positions quantitatively match the subband positions in the band structures of GNR. This correlation provides a robust mechanism to electrically probe the band structure of GNR, especially when the subband structures are smeared out in conductance measur…
Silicene (a monolayer of silicon atoms) is a quantum spin-Hall insulator, which undergoes a topological phase transition into other insulators by applying external field such as electric field, photo-irradiation and antiferromagnetic order. We investigate the electronic and transport properties of silicene nanoribbons based on the Landauer formalism. We propose to determine topological phase transitions by measuring the density of states and conductance. The conductance is quantized and changes its value when the system transforms into different phases. We show that a silicene nanoribbon near …
We study the effect of the edge disorder on the conductance of the graphene nanoribbons (GNRs). We find that only very modest edge disorder is sufficient to induce the conduction energy gap in the otherwise metallic GNRs and to lift any difference in the conductance between nanoribbons of different edge geometry. We relate the formation of the conduction gap to the pronounced edge disorder induced Anderson-type localization which leads to the strongly enhanced density of states at the edges, formation of surface-like states and to blocking of conductive paths through the ribbons.
We report a detailed analytic investigation of the interplay between size quantization and local scattering centers in armchair graphene nanoribbons, as seen in the conductance. The scattering property of a local scattering center is dependent on if it is located on one sublattice (A-site impurity) or both (impurity situated at neighboring carbon atoms, A-B-site impurity). The A-site impurity scatters in a similar way as a localized impurity in a one-dimensional channel made from a two-dimensional electron gas. On the other hand, the A-B-site impurity introduces A- to B-sublattice scattering, …
A theory of electron states for graphene nanoribbons with a smoothly varying width is developed. It is demonstrated that the standard adiabatic approximation allowing to neglect the mixing of different standing waves is more restrictive for the massless Dirac fermions in graphene than for the conventional electron gas. For the case of zigzag boundary conditions, one can expect a well-pronounced conductance quantization only for highly excited states. This difference is related to the relativistic Zitterbewegung effect in graphene.
We investigate the electronic transport properties of a folded graphene nanoribbon with monolayer nanoribbon contacts. We consider two possible foldings: either the nanoribbon can be folded onto itself in the shape of a hairpin with the nanoribbon leads at a $0^\circ$ angle, or the monolayer contacts have different directions, forming a $60^\circ$ angle. The system is described by a single $π$-band nearest-neighbor tight-binding Hamiltonian taking into account curvature effects. We have found that for the case of a nanoribbon folded over itself the conductance oscillates from almost zero and a…
We study the electronic and transport properties of heterostructures formed by armchair graphene nanoribbons with intersections of finite length. We describe the system by a tight-binding model and calculate the density of states and the conductance within the Green's function formalism based on real-space renormalization techniques. We show the apparition of interface states and bound states in the continuum which present a strong dependence of the heterostructure geometry. We investigate the effects on the conductance of an external perturbation applied on the edges atoms of the intersection…
We study scanning gate microscopy (SGM) conductance mapping of a $\mathrm{MoS}_2$ zigzag ribbon exploiting tight-binding and continuum models. We show that, even though the edge modes of a pristine nanoribbon are robust to backscattering on the potential induced by the tip, the conductance mapping reveals presence of both the edge modes and the quantized spin- and valley-current carrying modes. By inspecting the electron flow from a split gate quantum point contact (QPC) we find that the mapped current flow allows to determine the nature of the quantization in the QPC as spin-orbit coupling st…
We study narrow zigzag graphene nanoribbons (ZGNRs), employing density functional theory (DFT) simulations and the tight-binding (TB) method. The main result of these calculations is the braiding of the conduction and valence bands, generating Dirac cones for non-commensurate wave vectors $\vec{k}$. Employing a TB Hamiltonian, we show that the braiding is generated by the third-neighbor hopping (N3). We calculate the band structure, the density of states and the conductance, new conductance channels are opened, and the conductance at the Fermi energy assumes integer multiples of the quantum co…
The conductance of metallic graphene nanoribbons (GNRs) with single defects and weak disorder at their edges is investigated in a tight-binding model. We find that a single edge defect will induce quasi-localized states and consequently cause zero-conductance dips. The center energies and breadths of such dips are strongly dependent on the geometry of GNRs. Armchair GNRs are much more sensitive to a vacancy than zigzag GNRs, but are less sensitive to a weak scatter. More importantly, we find that with a weak disorder, zigzag GNRs will change from metallic to semiconducting due to Anderson loca…
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…
Graphene nanoribbons (GNRs) are natural waveguides for electrons in graphene. Nevertheless, unlike micron-sized samples, conductance is nearly suppressed in these narrow graphene stripes, mainly due to scattering with edge disorder generated during synthesis or cut. A possible way to circumvent this effect is to define an internal waveguide that isolates specific modes from the edge disorder and allows ballistic conductance. There are several proposals for defining waveguides in graphene; in this manuscript, we consider strain folds and scalar potentials and numerically evaluate these proposal…
Understanding thermal transport through nanoscale van der Waals interfaces is vital for addressing thermal management challenges in nanoelectronic devices. In this work, the interfacial thermal conductance (GCA) between copper phthalocyanine (CuPc) nanoribbons is reported to be on the order of 10^5 Wm-2K-1 at 300 K, which is over two orders of magnitude lower than the value predicted by molecular dynamics (MD) simulations for a perfectly smooth interface between two parallelly aligned CuPc nanoribbons. Further MD simulations and contact mechanics analysis reveal that surface roughness can sign…
Quantized Conductance through Surface States in High Quality Three-Dimensional Dirac Semimetal Cd$_3$As$_2$ Nanowire/Nanoribbon p-n Junctions
DGIST Research Institute, DGIST（大邱科学技术院研究学院）；Electrical and Computer Engineering, National University of Singapore（新加坡国立大学电气与计算机工程系）；Department of Physics, KTH Royal Institute of Technology（皇家理工学院物理系）；Industrial AX Innovation Research Institute and Sensor Technology Support Center, DGIST（大邱科学技术院工业AX创新研究所及传感器技术支持中心）；Department of Advanced Materials Chemistry, Korea University（韩国大学先进材料化学系）；Department of Physics and Chemistry, DGIST（大邱科学技术院物理化学系）；Department of Interdisciplinary Engineering, DGIST（大邱科学技术院交叉工程学系）；Institute of next generation semiconductor technology (INST), DGIST（大邱科学技术院下一代半导体技术研究所）
We study the effects of uniaxial strains on the transport properties of the graphene nanoribbons(GNRs) connected with two metallic leads in heterojunctions, using the transfer matrix method. Two typical GNRs with zigzag and armchair boundaries are considered, and the tension is applied either parallel or perpendicular to the ribbon axis. It turns out that the electron-hole symmetry is missing in the gate voltage dependence of the conductance data of the armchair GNRs, while it persists in the zigzag ribbons under any strains. For an armchair GNR with a vertical tension applied, a sharp drop of…
Electronic transport in a zig-zag-edge graphene nanoribbon (GNR) and its modification by adsorbed transition metal porphyrins is studied by means of density functional theory calculations. The detachment reaction of the metal centre of the porphyrin is investigated both in the gas phase and for molecules adsorbed on the GNR. As most metal porphyrins are very stable against this reaction, it is found that these molecules bind only weakly to a perfect nanoribbon. However, interaction with a single-atom vacancy in the GNR results in chemical bonding by the transition metal centre being shared bet…
Universal conductance fluctuations and the weak antilocalization effect are defect structure specific fingerprints in the magnetoconductance that are caused by electron interference. Experimental evidence is presented that the conductance fluctuations in the present topological insulator (Bi$_{0.57}$Sb$_{0.43}$)$_2$Te$_3$ nanoribbons which are selectively grown by molecular beam epitaxy are caused by well-defined and sharply resolved phase-coherent loops. From measurements at different magnetic field tilt angles we deduced that these loops are preferentially oriented parallel to the quintuple …
We employ classical molecular dynamics to study the nonlinear thermal transport in graphene nanoribbons (GNRs). For GNRs under large temperature biases beyond linear response regime, we have observed the onset of negative differential thermal conductance (NDTC). NDTC is tunable by varying the manner of applying the temperature biases. NDTC is reduced and eventually disappears when the length of the GNR increases. We have also observed NDTC in triangular GNRs, where NDTC exists only when the heat current is from the narrower to the wider end. These effects may be useful in nanoscale thermal man…
Quantum-mechanical calculations of electron magneto-transport in ideal graphene nanoribbons are presented. In noninteracting theory, it is predicted that an ideal ribbon that is attached to wide leads should reveal Fabry-Perot conductance oscillations in magnetic field. In the theory with Coulomb interaction taken into account, the oscillation pattern should rather be determined by the Aharonov-Bohm interference effect. Both of these theories predict the formation of quasi-bound states, albeit of different structures, inside the ribbon because of strong electron scattering on the interfaces be…
In this paper, we study the conductance of the graphene nanoribbons(GNRs) in the presence of the Stone-Wales(S-W) reconstruction, using the transfer matrix method. The ribbon is connected with semi-infinite quantum wires as the leads. The S-W reconstruction occurs on the edges and the interfaces between the electrodes and ribbon. When the reconstruction occurs on the edges, the conductance is suppressed considerably if the gate voltage $V_g$ takes intermediate values around $|V_{g}|\sim t_0$($t_0$ being the hopping amplitude of grahene) in both positive and negative energy regions. In contrast…
We study the electron transport through a graphene nanoribbon-superconductor junction. Both zigzag and armchair edge graphene nanoribbons are considered, and the effects of the magnetic field and disorder on the transport property are investigated. By using the tight-binding model and the non-equilibrium Green's function method, the expressions of the current, conductance, normal tunneling coefficient, and Andreev reflection coefficient are obtained. For a clean system and at zero magnetic field, the linear conductance increases approximatively in a linear fashion with the on-site energy. In t…
Edge states in narrow quasi two-dimensional nanostructures determine, to a large extent, their electric, thermoelectric and magnetic properties. Non-magnetic edge states may quite often lead to topological insulator type behavior. However another scenario develops when the zigzag edges are magnetic and the time reversal symmetry is broken. In this work we report on the electronic band structure modifications, electrical conductance and thermoelectric properties of narrow zigzag nanoribbons with spontaneously magnetized edges. Theoretical studies based on the Kane-Mele- Hubbard tight-binding mo…
We theoretically investigate the spin-charge transport in two-terminal device of graphene nanoribbons in the presence of an uniform uniaxial strain, spin-orbit coupling, exchange field and smooth staggered potential. We show that the direction of applied strain can efficiently tune strain-strength induced oscillation of band-gap of armchair graphene nanoribbon (AGNR). It is also found that electronic conductance in both AGNR and zigzag graphene nanoribbons (ZGNRs) oscillates with Rashba spin-orbit coupling akin to the Datta-Das field effect transistor. Two distinct strain response regimes of e…
We present a first-principles study of the migration and recombination of edge defects (carbon adatom and/or vacancy) and their influence on electrical conductance in zigzag graphene nanoribbons (ZGNRs). It is found that at room temperature, the adatom is quite mobile while the vacancy is almost immobile along the edge of ZGNRs. The recombination of an adatom-vacancy pair leads to a pentagon-heptagon ring defect structure having a lower energy than the perfect edge, implying that such an edge-defect can be formed spontaneously. This edge defect can suppresses the conductance of ZGNRs drastical…
We investigate the role that nonlinearity in the interatomic potential has on the thermal conductance of a suspended nanoribbon when it is subjected to a longitudinal strain. To focus on the first cubic and quartic nonlinear terms of a general potential, we propose an atomic system based on an $α$-$β$ Fermi-Pasta-Ulam nearest neighbor interaction. We perform classical molecular dynamics simulations to investigate the contribution of longitudinal, transversal and flexural modes to the thermal conductance as a function of the $α$-$β$ parameters and the applied strain. We compare the cases where …
We study the effects of the interaction between electrons and holes on the conductance G of quasi-one-dimensional graphene systems. We first consider as a benchmark the limit in which all interactions are negligible, recovering the predictions of the tight-binding approximation for the spectrum of the system, and the well-known result G=4 e^2/h for the lowest conductance quantum. Then we consider an exactly solvable field theoretical model in which the electro-magnetic interactions are effectively local. Finally, we use the effective field theory formalism to develop an exactly solvable model …
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…
First-principles density-functional calculations are performed to investigate the thermal transport properties in graphene nanoribbons (GNRs). The dimensional crossover of thermal conductance from one to two dimensions (2D) is clearly demonstrated with increasing ribbon width. The thermal conductance of GNRs in a few nanometer width already exhibits an approximate low-temperature dependence of $T^{1.5}$, like that of 2D graphene sheet which is attributed to the quadratic nature of dispersion relation for the out-of-plane acoustic phonon modes. Using a zone-folding method, we heuristically deri…
The spin dependent charge transport in zigzag graphene nanoribbons (ZGNRs) has been investigated by the nonequilibrium Green's function method combined with the density functional theory at the local spin density approximation. The current versus voltage curve shows distinguished behaviors for symmetric and asymmetric ZGNRs and the doping on the ZGNR edges can manipulate the spin transport. In special cases that a Be atom is substitutionally doped on one edge of the symmetric ZGNRs, one spin current shows negative differential resistance while the other increases monotonically with the bias. T…
We have studied the thermal properties of bended graphene nanoribbons (GNRs) using nonequilibrium molecular dynamics simulations. The thermal conductivity of bended GNRs shows a non-monotonous relationship with the bending angle, due to the influence of chirality and Kapitza conductance. When a constant heat flux is allowed to flow, sharp temperature jump is observed at the inside corner. On the basis of the magnitude of these jumps, we have computed the Kapitza conductance as a function of bending angles. Besides, modification of the inside corner is applied to change the ability of heat tran…
