Numerical calculations have been performed to elucidate unconventional electronic transport properties in disordered nanographene ribbons with zigzag edges (zigzag ribbons). The energy band structure of zigzag ribbons has two valleys that are well separated in momentum space, related to the two Dirac points of the graphene spectrum. The partial flat bands due to edge states make the imbalance between left- and right-going modes in each valley, {\it i.e.} appearance of a single chiral mode. This feature gives rise to a perfectly conducting channel in the disordered system, i.e. the average of conductance $<g>$ converges exponentially to 1 conductance quantum per spin with increasing system length, provided impurity scattering does not connect the two valleys, as is the case for long-range impurity potentials. Ribbons with short-range impurity potentials, however, through inter-valley scattering, display ordinary localization behavior. Symmetry considerations lead to the classification of disordered zigzag ribbons into the unitary class for long-range impurities, and the orthogonal class for short-range impurities. The electronic states of graphene nanoribbons with general edge structures are also discussed, and it is demonstrated that chiral channels due to the edge states are realized even in more general edge structures except for armchair edges.
We reveal through extensive DFT calculations, confronted to key experimental facts, the hidden penta-silicene nature of single and double strand chiral Si nanoribbons perfectly aligned on Ag(110) surfaces, that were discovered in 2005, but whose structure remained elusive. We thus simultaneously demonstrate the existence of penta-silicene, a recently conjectured novel pentagonal silicon allotrope, which remained unveiled for 11 years, and which materializes a paradigmatic shift from normal hexagonal silicene.
We study the transport properties of disordered electron systems that contain perfectly conducting channels. Two quantum network models that belong to different universality classes, unitary and symplectic, are simulated numerically. The perfectly conducting channel in the unitary class can be realized in zigzag graphene nano-ribbons and that in the symplectic class is known to appear in metallic carbon nanotubes. The existence of a perfectly conducting channel leads to novel conductance distribution functions and a shortening of the conductance decay length.
Electron transport in a disordered graphene nanoribbon with zigzag edges is crucially affected by a perfectly conducting channel (PCC), which is stabilized if intervalley scattering is ignorable. In the presence of such a PCC, the dimensionless conductance g of the system decreases to the quantized value of g = 1 with increasing system length L. In the realistic case where intervalley scattering is weak but not ignorable, the PCC is gradually destabilized with increasing L, and g eventually decays to zero owing to the onset of Anderson localization. Here, we show that such destabilization of t…
Numerical calculations based on the recursive Green's functions method in the tight-binding approximation are performed to calculate the dimensionless conductance $g$ in disordered graphene nanoribbons with Gaussian scatterers. The influence of the transition from short- to long-ranged disorder on $g$ is studied as well as its effects on the formation of a perfectly conducting channel. We also investigate the dependence of electronic energy on the perfectly conducting channel. We propose and calculate a backscattering estimative in order to establish the connection between the perfectly conduc…
The band structure of graphene ribbons with zigzag edges have two valleys well separated in momentum space, related to the two Dirac points of the graphene spectrum. The propagating modes in each valley contain a single chiral mode originating from a partially flat band at band center. This feature gives rise to a perfectly conducting channel in the disordered system, if the impurity scattering does not connect the two valleys, i.e. for long-range impurity potentials. Ribbons with short-range impurity potentials, however, through inter-valley scattering display ordinary localization behavior. …
We study the conductance of phase-coherent disordered quantum wires focusing on the case in which the number of conducting channels is imbalanced between two propagating directions. If the number of channels in one direction is by one greater than that in the opposite direction, one perfectly conducting channel without backscattering is stabilized regardless of wire length. Consequently, the dimensionless conductance does not vanish but converges to unity in the long-wire limit, indicating the absence of Anderson localization. To observe the influence of a perfectly conducting channel, we nume…
We study the conductivity of disordered zigzag graphene nanoribbons in the incoherent regime by using the Boltzmann equation approach. The band structure of zigzag nanoribbons contains two energy valleys, and each valley has an excess one-way channel. The crucial point is that the numbers of conducting channels for two propagating directions are imbalanced in each valley due to the presence of an excess one-way channel. It was pointed out that as a consequence of this imbalance, a perfectly conducting channel is stabilized in the coherent regime if intervalley scattering is absent. We show tha…
The low-energy spectrum of graphene nanoribbons with armchair edges (armchair nanoribbons) is described as the superposition of two non-equivalent Dirac points of graphene. In spite of the lack of well-separated two valley structures, the single-channel transport subjected to long-ranged impurities is nearly perfectly conducting, where the backward scattering matrix elements in the lowest order vanish as a manifestation of internal phase structures of the wavefunction. For multi-channel energy regime, however, the conventional exponential decay of the averaged conductance occurs. Since the int…
We theoretically investigate the electronic transport properties of curved graphene waveguides by employing non-equilibrium Green's function techniques. We systematically study the dependence of the confined waveguide modes on the potential difference, the width of waveguide and side barrier. Through two-terminal electronic transport calculations, we show that the conductance of confined waveguide modes is rather robust against the bending degree of waveguide, in consistent with the band insensitivity to the side barrier. This finding of the perfectly conducting channels strongly suggests the …
We show that hybrid structures of topological insulators and materials without topological protection can be employed to create perfectly conducting channels hosted in the non-topological part. These states inherit the topological protection from the proximity of the topological insulator but are more fragile to time-reversal symmetry breaking because of their extended character. We explore their formation in the band structure of model hybrid systems as well as realistic heterostructures involving HgTe/CdTe-based two-dimensional topological insulators. Using numerical quantum transport calcul…
We study conductance fluctuations in disordered quantum wires with unitary symmetry focusing on the case in which the number of conducting channels in one propagating direction is not equal to that in the opposite direction. We consider disordered wires with $N+m$ left-moving channels and $N$ right-moving channels. In this case, $m$ left-moving channels become perfectly conducting, and the dimensionless conductance $g$ for the left-moving channels behaves as $g \to m$ in the long-wire limit. We obtain the variance of $g$ in the diffusive regime by using the Dorokhov-Mello-Pereyra-Kumar equatio…
Thermoelectric transport of two-dimensional quantum spin Hall systems are theoretically studied in narrow ribbon geometry. We find that at high temperature electrons in the bulk states dominate. By lowering temperature, the "perfectly conducting" edge channels becomes dominant, and a bulk-to-edge crossover occurs. Correspondingly, by lowering temperature, the figure of merit first decreases and then will increase again due to edge-state-dominated thermoelectric transport.
Topological insulators have gapless edge/surface states with novel transport properties. Among these, there are two classes of perfectly conducting channels which are free from backscattering: the edge states of two-dimensional topological insulators and the one-dimensional states localized on dislocations of certain three-dimensional topological insulators. We show how these novel states affect thermoelectric properties of the systems and discuss possibilities to improve the thermoelectric figure of merit using these materials with perfectly conducting channels.
A weak topological insulator (WTI) bears, generally, an even number of Dirac cones on its surface; they are susceptible of doubling, while on the surface of a certain orientation it shows no Dirac cone. On this "dark" surface of a WTI, we predict the existence of a single pair of isolated 1D perfectly conducting channels that forms either a closed loop or a segment of a line. The former is associated typically with a single atomic-layer-thick island formed on the dark surface, while the latter is shown to be the consequence of a pair of crystal (screw) dislocations terminating on the dark surf…
We study the conductance of disordered wires with unitary symmetry focusing on the case in which $m$ perfectly conducting channels are present due to the channel-number imbalance between two-propagating directions. Using the exact solution of the Dorokhov-Mello-Pereyra-Kumar (DMPK) equation for transmission eigenvalues, we obtain the average and second moment of the conductance in the long-wire regime. For comparison, we employ the three-edge Chalker-Coddington model as the simplest example of channel-number-imbalanced systems with $m = 1$, and obtain the average and second moment of the condu…
Graphene nanoribbons can be folded into a double layer system keeping the two layers decoupled. In the Quantum Hall regime folds behave as a new type of Hall bar edge. We show that the symmetry properties of the zero Landau level in metallic nanoribbons dictate that the zero energy edge states traversing a fold are perfectly transmitted onto the opposite layer. This result is valid irrespective of fold geometry, magnetic field strength and crystallographic orientation of the nanoribbon. Backscattering suppression on the N=0 Hall plateau is ultimately due to the orthogonality of forward and bac…
We report our recent numerical study on the effects of dephasing on a perfectly conducting channel (PCC), its presence believed to be dominant in the transport characteristics of a zigzag graphene nanoribbons (GNR) and of a metallic carbon nanotubes (CNT). Our data confirms an earlier prediction that a PCC in GNR exhibits a peculiar robustness against dephasing, in contrast to that of the CNT. By studying the behavior of the conductance as a function of the system's length we show that dephasing destroys the PCC in CNT, whereas it stabilizes the PCC in GNR. Such opposing responses of the PCC a…
We propose an analytical device model for a graphene nanoribbon field-effect transistor (GNR-FET). The GNR-FET under consideration is based on a heterostructure which consists of an array of nanoribbons clad between the highly conducting substrate (the back gate) and the top gate controlling the dc and ac source-drain currents. Using the model developed, we derive explicit analytical formulas for the GNR-FET transconductance as a function of the signal frequency, collision frequency of electrons, and the top gate length. The transition from the ballistic and to strongly collisional electron tr…
We will present brief overview on the electronic and transport properties of graphene nanoribbons focusing on the effect of edge shapes and impurity scattering. The low-energy electronic states of graphene have two non-equivalent massless Dirac spectrum. The relative distance between these two Dirac points in the momentum space and edge states due to the existence of the zigzag type graphene edges are decisive to the electronic and transport properties of graphene nanoribbons. In graphene nanoribbons with zigzag edges, two valleys related to each Dirac spectrum are well separated in momentum s…
Zigzag nanoribbons of monolayer graphene-like two-dimensional materials host spontaneous edge magnetism at the zigzag terminations, whose configuration controls the band gap. In this article, the edge magnetism of zigzag nanoribbons of bilayer hexagonal crystals are studied. The specific models of bilayer graphene and bilayer silicene are both studied. As the gated voltage increases, the total energy level, magnetic structure and band structures of the ground state and the first quasi-stable excited state are tuned. For certain region of the gated voltage, the band gaps of spin up and down are…
An analytical device model for a graphene nanoribbon phototransistor (GNR-PT) is presented. GNR-PT is based on an array of graphene nanoribbons with the side source and drain contacts, which is sandwiched between the highly conducting substrate and the top gate. Using the developed model, we derive the explicit analytical relationships for the source-drain current as a function of the intensity and frequency of the incident radiation and find the detector responsivity. It is shown that GNR-PTs can be rather effective photodetectors in infrared and terahertz ranges of spectrum.
We study the confinement of Dirac fermions in armchair graphene nanoribbons by means of a quantum-dot-type electrostatic potential. With the use of specific projection operators, we find exact solutions for some bound states that satisfy appropriate boundary conditions. We show that the energies of these bound states belong either to the gap of valence and conducting bands or they represent BIC's (bound states in the continuum) whose energies are embedded in the continuous spectrum.
We would like to comment that the prediction of Half-mtallicity in only B edge H-passivated zigzag boron nitride nanoribbons (ZBNNR-BH), by Zheng et al.1, is not correct as their interpretation is erroneous. Since it is well known that for a material, to be a half-metal, as a primary condition one type of spin channels or bands (either spin up or spin down) are conducting and the opposite ones are insulating. In commented article 1, ZBNNR-BH shows insulating behavior for spin up bands (Eg=4.5 eV) whereas conducting nature for spin down electrons. They claim1 through the electronic band structu…
We study the low energy spin excitations of zigzag graphene nanoribbons of varying width. We find their energy dispersion at small wave vector to be dominated by antiferromagnetic correlations between the ribbon's edges, in accrodance with previous calculations. We point out that spin wave lifetimes are very long due to the semi-conducting nature of the electrically neutral nanoribbons. However, application of very modest gate voltages cause a discontinuous transition to a regime of finite spin wave lifetime. By further increasing doping the ferromagnetic alignments along the edge become unsta…
We present electronic structure calculations of few-layer epitaxial graphene nanoribbons on SiC(0001). Trough an atomistic description of the graphene layers and the substrate within the extended Hückel Theory and real/momentum space projections we argue that the role of the heterostructure's interface becomes crucial for the conducting capacity of the studied systems. The key issue arising from this interaction is a Fermi level pinning effect introduced by dangling interface bonds. Such phenomenon is independent from the width of the considered nanostructures, compromising the importance of c…
Using ab-initio methods we calculate thermoelectric and spin thermoelectric properties of silicene nanoribbons with bare, mono-hydrogenated and di-hydrogenated edges. Asymmetric structures, in which one edge is either bare or di-hydrogenated while the other edge is mono-hydrogenated (0H-1H and 2H-1H nanoribbons) have ferromagnetic ground state and display remarkable conventional and spin thermoelectric properties. Strong enhancement of the thermoelectric efficiency, both conventional and spin ones, results from a very specific band structure of such nanoribbons, where one spin channel is block…
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…
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 present an analytical device model for a field-effect transistor based on a heterostructure which consists of an array of nanoribbons clad between the highly conducting substrate (the back gate) and the top gate controlling the source-drain current. The equations of the model of a graphene nanoribbon field-effect transistor (GNR-FET) include the Poisson equation in the weak nonlocality approximation. Using this model, we find explicit analytical formulas for the spatial distributions of the electric potential along the channel and for the GNR-FET current-voltage characteristics (the depende…
The Dorokhov-Mello-Pereyra-Kumar (DMPK) equation for transmission eigenvalues is derived for metallic carbon nanotubes with several conducting channels when the potential range of scatterers is larger than the lattice constant. With increasing system length L, the system approaches a fixed point, where only one channel is perfectly conducting and other channels are completely closed. The asymptotic behavior of the conductance in the long-L regime is investigated on the basis of the DMPK equation. It is shown that the length scale for the exponential decay of the typical conductance is reduced …
The intrinsic transport properties of zigzag graphene nanoribbons (ZGNRs) are investigated using first principles calculations. It is found that although all ZGNRs have similar metallic band structure, they show distinctly different transport behaviors under bias voltages, depending on whether they are mirror symmetric with respect to the midplane between two edges. Asymmetric ZGNRs behave as conventional conductors with linear current-voltage dependence, while symmetric ZGNRs exhibit unexpected very small currents with the presence of a conductance gap around the Fermi level. This difference …
The extreme mechanical resilience of graphene and the peculiar coupling it hosts between lattice and electronic degrees of freedom have spawned a strong impetus towards strain-engineered graphene where, on the one hand, strain augments the richness of its phenomenology and makes possible new concepts for electronic devices and, on the other hand, new and extreme physics might take place. Here, we demonstrate that the shape of substrates supporting graphene sheets can be optimized for approachable experiments where strain-induced pseudomagnetic fields (PMF) can be tailored by pressure for direc…
Non-equilibrium spin-polarized transport properties of antiferromagnetic stanene nanoribbons are theoretically studied under the combining effect of a normal electric field and linearly polarized irradiation based on the tight-binding model at room temperature. Due to the existence of spin-orbit coupling in stanene lattice, applying normal electric field leads to splitting of band degeneracy of spin-resolved energy levels in conduction and valence bands. Furthermore, unequivalent absorption of the polarized photons at two valleys which is attributed to an antiferromagnetic exchange field resul…
A simple surface band structure and a large bulk band gap have allowed Bi2Se3 to become a reference material for the newly discovered three-dimensional topological insulators, which exhibit topologically-protected conducting surface states that reside inside the bulk band gap. Studying topological insulators such as Bi2Se3 in nanostructures is advantageous because of the high surface-to-volume ratio, which enhances effects from the surface states; recently reported Aharonov-Bohm oscillation in topological insulator nanoribbons by some of us is a good example. Theoretically, introducing magneti…
We study all-carbon-hydrogen molecular transistors where zigzag graphene nanoribbons play the role of three metallic electrodes connected to a ring-shaped 18-annulene molecule. Using the nonequilibrium Green function formalism combined with density functional theory, recently extended to multiterminal devices, we show that the proposed nanostructures exhibit exponentially small transmission when the source and drain electrodes are attached in a configuration that ensures destructive interference of electron paths around the ring. The third electrode, functioning either as an attached infinite-…
Two-dimensional Floquet systems consisting of irradiated valley-polarized metal are investigated. For the corresponding static systems, we consider two graphene models of valley-polarized metal with either a staggered sublattice or uniform intrinsic spin-orbital coupling, whose Dirac point energies are different from the intrinsic Fermi level. If the frequency of irradiation is appropriately designed, the largest dynamical gap (first-order dynamical gap) opens around the intrinsic Fermi level. In the presence of the irradiation, two types of edge state appear at the zigzag edge of semi-infinit…
The Kekule pattern of the (anti)ferromagnetic exchange field on monolayer MoS2 can be induced by proximity to the (111) surface of BiFeO3 on both sides. The three-band tight binding model of the MoS2 layer with Kekule patterned exchange field is applied to describe the heterostructures. The tight binding model is justified by the first principle calculations. The magnetization orientations of the substrates control the pattern of the exchange field, which then switches the band structures of the lowest zigzag edge states between being metallic and insulating. The lowest four zigzag edge bands …
Topological insulators (TI) are bulk insulators that possess robust chiral conducting states along their interfaces with normal insulators. A tremendous research effort has recently been devoted to TI-based heterostructures, in which conventional proximity effects give rise to many exotic physical phenomena. Here we establish the potential existence of "topological proximity effects" at the interface of a topological graphene nanoribbon (GNR) and a normal GNR. Specifically, we show that the location of the topological edge states exhibits versatile tunability as a function of the interface ori…
We derive boundary conditions for electromagnetic fields on a $δ$-function plate. The optical properties of such a plate are shown to necessarily be anisotropic in that they only depend on the transverse properties of the plate. We unambiguously obtain the boundary conditions for a perfectly conducting $δ$-function plate in the limit of infinite dielectric response. We show that a material does not "optically vanish" in the thin-plate limit. The thin-plate limit of a plasma slab of thickness $d$ with plasma frequency $ω_p^2=ζ_p/d$ reduces to a $δ$-function plate for frequencies ($ω=iζ$) satisf…
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 predict intrinsic half-metallicity in armchair boron nitride nanoribbons (ABNNRs) via edge fluorination. The stability, electronic and magnetic properties of bare and edge fluorinated ABNNRs have been systematically analyzed by means of first-principles calculations within the local spin-density approximation (LSDA). The ribbons whose only edge-B atoms passivated with F atoms (i.e., edge-N atoms are un-passivated), regardless of width, are found half-metallic with a half-metal gap of 0.3 eV. A 100 \% spin polarized charge transport across the Fermi level is expected for such ribbons as the …
Previously, graphene nanoribbons set in lateral heterostructures with hexagonal boron nitride were predicted to support topologically protected states at low energy. We investigate how robust the transport properties of these states are against lattice disorder. We find that forms of disorder that do not couple the two valleys of the zigzag graphene nanoribbon do not impact the transport properties at low bias, indicating that these lateral heterostructures are very promising candidates for chip-scale conducting interconnects. Forms of disorder that do couple the two valleys, such as vacancies…
The recent fabrication of graphene nanoribbon (GNR) field-effect transistors poses a challenge for first-principles modeling of carbon nanoelectronics due to many thousand atoms present in the device. The state of the art quantum transport algorithms, based on the nonequilibrium Green function formalism combined with the density functional theory (NEGF-DFT), were originally developed to calculate self-consistent electron density in equilibrium and at finite bias voltage (as a prerequisite to obtain conductance or current-voltage characteristics, respectively) for small molecules attached to me…
Graphene nanoribbons (GNRs) with widths of a few nanometres are promising candidates for future nano-electronic applications due to their structurally tunable bandgaps, ultrahigh carrier mobilities, and exceptional stability. However, the direct growth of micrometre-long GNRs on insulating substrates, which is essential for the fabrication of nano-electronic devices, remains an immense challenge. Here, we report the epitaxial growth of GNRs on an insulating hexagonal boron nitride (h-BN) substrate through nanoparticle-catalysed chemical vapor deposition (CVD). Ultra-narrow GNRs with lengths of…
In the present paper, using Pseudo-Quantum Electrodynamics to describe the interaction between electrons in graphene, we investigate the longitudinal and optical conductivities of a neutral graphene sheet near a grounded perfectly conducting surface, with calculations up to 2-loop perturbation order. We show that the longitudinal conductivity increases as we bring the conducting surface closer to the graphene sheet. On the other hand, although the optical conductivity initially increases with the proximity of the plate, it reaches a maximum value, tending, afterwards, to the minimal conductivi…
Gaussian deformation in graphene structures exhibits an interesting effect in which flower-shaped confinement states are observed in the deformed region [Carrillo-Bastos et al., Phys. Rev. B 90 041411 (2014)]. To exploit such a deformation for various applications, tunable electronic features including a bandgap opening for semi-metallic structures are expected. Besides, the effects of disorders and external excitations also need to be considered. In this work, we present a systematic study on quantum transport of graphene ribbons with Gaussian deformation. Different levels of deformation are …
The conductance of disordered wires with symplectic symmetry is studied by a random-matrix approach. It has been believed that Anderson localization inevitably arises in ordinary disordered wires. A counterexample is recently found in the systems with symplectic symmetry, where one perfectly conducting channel is present even in the long-wire limit when the number of conducting channels is odd. This indicates that the odd-channel case is essentially different from the ordinary even-channel case. To study such differences, we derive the DMPK equation for transmission eigenvalues for both the ev…
Using an innovative technique arising from the theory of symmetric spaces, we obtain an approximate analytic solution of the Dorokhov-Mello-Pereyra-Kumar (DMPK) equation in the insulating regime of a metallic carbon nanotube with symplectic symmetry and an odd number of conducting channels. This symmetry class is characterized by the presence of a perfectly conducting channel in the limit of infinite length of the nanotube. The derivation of the DMPK equation for this system has recently been performed by Takane, who also obtained the average conductance both analytically and numerically. Usin…
