We investigate the production of spin-polarized currents in corrugated graphene nanoribbons. Such corrugations are modeled as multiple regions with Rashba spin-orbit interactions, where concave and convex curvatures are treated as Rashba regions with opposite signs. Numerical examples for different separated Rashba-zone geometries calculated within the tight-binding approximation are provided. Remarkably, the spin-polarized current in a system with several Rashba areas can be enhanced with respect to the case with a single Rashba part of the same total area. The enhancement is larger for configurations with multiple regions with the same Rashba sign. This indicates that the increase of the spin polarization is due to the scattering of the electrons traversing regions with and without Rashba interaction. Additionally, we relate the appearance of the spin-polarized currents to novel symmetry relations between the spin-dependent conductances. These symmetries turn out to be a combination of different symmetry operations in real and spin spaces, as those occurring in non-planar systems like carbon nanotubes. Our results show that two-dimensional devices with Rashba spin-orbit interaction can be used as excellent spintronic devices in an all-electrical or mechanical setup.
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…
In this work spin transport in corrugated armchair graphene nanoribbons (AGNR) is studied. We survey combined effects of spin-orbit interaction and surface roughness, employing the non-equilibrium Green's function formalism and four orbitals tight-binding model. We modify hopping parameters regarding bending and distance of corrugated carbon atoms. The effects of surface roughness parameters, such as roughness amplitude and correlation length, on the spin transport of the graphene nanoribbons are studied. We show that increasing surface roughness amplitude breaks the AGNR symmetry and hybridiz…
We study the effects of the structural corrugation or rippling on the electronic properties of undoped armchair graphene nanoribbons (AGNR). First, reanalyzing the single corrugated graphene layer we find that the two inequivalent Dirac points (DP), move away one from the other. Otherwise, the Fermi velocity decrease by increasing rippling. Regarding the AGNRs, whose metallic behavior depends on their width, we analyze in particular the case of the zero gap band-structure AGNRs. By solving the Dirac equation with the adequate boundary condition we show that due to the shifting of the DP a gap …
We investigate the role played by electron traps on adiabatic charge transport for graphene nanoribbons in the presence of an acoustically induced longitudinal surface acoustic wave (SAW) potential. Due to the weak longitudinal SAW-induced potential as well as the strong transverse confinement by a nanoribbon, minibandsof sliding tunnel-coupled quantum dots are formed so that by varying the chemical potential to pass through the minigaps, quantized adiabatic charge transport may be obtained. We analyze the way that the minigaps may be closed, thereby destroying the likelihood of current quanti…
A mechanism to generate a spin-polarized current in a two-terminal zigzag silicene nanoribbon is predicted. As a weak local exchange field that is parallel to the surface of silicene is applied on one of edges of the silicene nanoribbon, a gap is opened in the corresponding gapless edge states but another pair of gapless edge states with opposite spin are still protected by the time-reversal symmetry. Hence, a spin-polarized current can be induced in the gap opened by the local exchange field in this two-terminal system. What is important is that the spin-polarized current can be obtained even…
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…
Graphene nanoribbons are prone to in-plane bending even when supported on flat substrates. However, the amount of bending that ribbons can stably withstand remains poorly known. Here, by using molecular dynamics simulations, we study the stability limits of 0.5-1.9 nm wide armchair and zigzag graphene nanoribbons subject to bending. We observe that the limits for maximum stable curvatures are below ~10 deg/nm, in case the bending is externally forced and the limit is caused by buckling instability. Furthermore, it turns out that the limits for maximum stable curvatures are also below ~10 deg/n…
We study the emergence of Majorana zero modes (MZMs) at the ends of a finite double zigzag honeycomb nanoribbon (zHNR). We show that a double zHNR geometry can host spin-polarized MZMs at its ends. We considered a minimal model composed by first nearest neighbor hopping, Rashba spin-orbit coupling (RSOC), p-wave superconducting pairing, and an applied external magnetic field (EMF). The energy spectrum regions with either spin up or down MZMs belong to distinct topological phase transitions characterized by their corresponding winding numbers and can be accessed by tunning the chemical potentia…
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…
We investigate a novel way to manipulate the spin polarized transmission in a two terminal zigzag graphene nanoribbon in presence of Rashba spin-orbit (SO) interaction with circular shaped cavity engraved into it. A usual technique to control the spin polarized transport behaviour of a nanoribbon can be achieved by tuning the strength of the SO coupling, while we show that an efficient engineering of the spin polarized transport properties can also be done via cavities of different radii engraved in the nanoribbon. Simplicity of the technique in creating such cavities in the experiments render…
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…
Using the tight-binding approach we study the electronic transport in a $\mathrm{MoS}_2$ zigzag ribbon with a spatially varying potential profile. Considering a ribbon with a smooth potential step in the Fermi energy regime where the transport is dominated by the edge modes, we find that the conductance exhibits sharp resonances due to the resonant transport through a n-p-n junction effectively created in the structure. We show that in a gated wire the current carried on the wire edges can be blocked despite the metallic band structure of the ribbon. For the Fermi energies corresponding to $\m…
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…
We study the charge and spin transport in two and four terminal graphene nanoribbons (GNR) decorated with random distribution of magnetic adatoms. The inclusion of the magnetic adatoms generates only the $z$-component of the spin polarized conductance via an exchange bias in the absence of Rashba spin-orbit interaction (SOI), while in presence of Rashba SOI, one is able to create all the three ($x$, $y$ and $z$) components. This has important consequences for possible spintronic applications. The charge conductance shows interesting behaviour near the zero of the Fermi energy. Where in presenc…
By combining Floquet theory with Green's function formalism, we present non-adiabatic quantum spin and charge pumping through a zigzag ferromagnetic graphene nanoribbon including a double-barriers structure driven weakly by two local $ac$ gate voltages operating with a phase-lag. Over a wide range of Fermi energies, interesting quantum pumping such as i) pure spin pumping with zero net charge pumping, ii) pure charge pumping and iii) fully spin polarized pumping can be achieved by tuning and manipulating driving frequency in the non-adiabatic regime. Spin polarized pumping which is measurable …
Using the non-equilibrium Green\noindent 's function method and the Keldysh formalism, we study the effects of spin-orbit interactions and time-reversal symmetry breaking exchange fields on non-equilibrium quantum transport in graphene armchair nanoribbons. We identify signatures of the quantum spin Hall (QSH) and the quantum anomalous Hall (QAH) phases in non-equilibrium edge transport by calculating the spin-resolved real space charge density and local currents at the nanoribbon edges. We find that the QSH phase, which is realized in a system with intrinsic spin-orbit coupling, is characteri…
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…
Electronic transport with a line (or a few lines) of Anderson type disorder in a zigzag graphene nanoribbon is investigated in presence of Rashba spin-orbit interaction. Such line disorders give rise to peculiar behavior in both charge as well as spin-polarized transmission in the following sense. In the weak disorder regime, the charge transport data show Anderson localization up to a certain disorder strength, beyond which the extended states emerge and start dominating over the localized states. These results are the hallmark signature of a selectively disordered (as opposed to bulk disorde…
The topological properties of electronic edge states in time-periodically driven spatially-periodic corrugated zigzag graphene nanoribbons are studied. An effective one-dimensional Hamiltonian is used to describe the electronic properties of graphene and the time-dependence is studied within the Floquet formalism. Then the quasienergy spectrum of the evolution operator is obtained using analytical and numeric calculations, both in excellent agreement. Depending on the external parameters of the time-driving, two different kinds (type I and type II) of touching band points are found, which have…
The geometric, electronic and magnetic properties of strained graphene nanoribbons were investigated using spin polarized calculations within the framework of density functional theory. Cases of compressive stress along the longer axis of a nanoribbon and tensile stress at the midpoint and perpendicular to the plane of the nanoribbon were considered. Significant structural changes were observed including the formation of nanoripples. The calculated electronic and magnetic properties strongly depend on the size and shape of nanoribbons. The tunable magnetic properties of strained nanoribbons ca…
Spin dependent transport in a three-terminal graphene nanoribbon (GNR) is investigated in presence of Rashba spin-orbit interaction. Such a three-terminal structure is shown to be highly effective in filtering electron spins from an unpolarized source simultaneously into two output leads and thus can be used as an efficient spin filter device compared to a two-terminal one. The study of sensitivity of the spin-polarized transmission on the location of the outgoing leads results in interesting consequences and is explored in details. There exist certain symmetry relations between the two outgoi…
Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of hydrogenation at the interfaces between the two materials. When both zigzag interfaces are fully hydrogenated, the superlattice behaves like a freestanding zigzag graphene nanoribbon, and the magnetic ground state is antiferromagnetic. When one of the interfaces is half hydrogenated, the magnetic ground state becomes ferromagnetic, and the system is very close to be…
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 …
The electronic properties of antimonene, single-layer Sb, are attracting great attention. In this paper, spin transport in armchair antimonene nanoribbon (ASbNR) is investigated. Following the tight-binding model, we calculate both the transmission probability and the conductance by means of the non-equilibrium Green's function (NEGF) method. The effects of an external electric field vertical to the ribbon plane are explored. Our results indicate that the spin-flip rate increases with the vertical electric field. Disorder effects on spin transport are addressed by considering the presence of c…
We investigate the interplay between the edge and bulk states, induced by the Rashba spin-orbit coupling, in a zigzag silicene nanoribbon in the presence of an external electric field. The interplay can be divided into two kinds, one is the interplay between the edge and bulk states with opposite velocities, and the other is that with the same velocity direction. The former can open small direct spin-dependent subgaps. A spin-polarized current can be generated in the nanoribbon as the Fermi energy is in the subgaps. While the later can give rise to the spin precession in the nanoribbon. Theref…
An interesting property of zigzag graphene nanoribbons is the presence of edge states which are extended along its borders but localized in the transverse direction. We show that because of this property, electron transport through an externally induced potential well displays two-paths-interference oscillations when subject either to a magnetic or a transverse electric field. This effect does not require the existence of an actual `hole' in the nanoribbon's geometry. Moreover, since edge states are spin polarized, having opposite polarization on opposite sides, such interference effect can be…
The influence of carrier density on magnetism in a zigzag graphene nanoribbon is studied in a $π$-orbital Hubbard-model mean-field approximation. Departures from half-filling alter the magnetism, leading to states with charge density variation across the ribbon and parallel spin-alignment on opposite edges. Finite carrier densities cause the spin-density near the edges to decrease steadily, leading eventually to the absence of magnetism. At low doping densities the system shows a tendency to multiferroic order in which edge charges and spins are simultaneously polarized.
A pseudo-magnetic field kink can be realized along a graphene nanoribbon using strain engineering. Electron transport along this kink is governed by snake states that are characterized by a single propagation direction. Those pseudo-magnetic fields point towards opposite directions in the K and K' valleys, leading to valley polarized snake states. In a graphene nanoribbon with armchair edges this effect results in a valley filter that is based only on strain engineering. We discuss how to maximize this valley filtering by adjusting the parameters that define the stress distribution along the g…
We report energy estimated to dissociate a C-C bond of a graphene sheet to form nanoribbons of armchair and zigzag configurations using first principles calculations. For the ground state energy calculations, the configurations considered are with spin, and without spin polarization. It is observed that the energy required to dissociate a C-C bond of a graphene sheet to form zigzag configuration is higher than that of armchair configuration for both spin polarized state, as well as non-spin polarized state. Therefore, formation of smooth edged graphene nanoribbons along the crystallographic di…
The coherent spin-polarized electron transport through a zigzag-edge graphene flake (ZGF), sandwiched between two semi-infinite armchair graphene nanoribbons, is investigated by means of Landauer-Buttiker formalism. To study the edge magnetism of the ZGF, we use the half-filled Hubbard model within the Hartree-Fock approximation. The results show that the junction acts as a spin filter with high degree of spin polarization in the absence of magnetic electrodes and external fields. By applying a gate voltage the spin-filtering efficiency of this device can be effectively controlled and the spin…
The magnetic and spin transport properties of a carbon chain between two armchair graphene nanoribbon (AGNR) electrodes were studied using tight-binding Hamiltonian, mean-field Hubbard model and Landauer-Butikker formalism. The results showed that only odd-numbered carbon chains show intrinsic magnetic moments in chain-graphene junctions. It was also found that the electronic, magnetic and spin transport properties of carbon chain-graphene junctions strongly depend on the position and the length of the carbon chains between AGNR electrodes. Interestingly, we found a fully spin-polarized transm…
We theoretically investigate the one-color injection currents and shift currents in zigzag graphene nanoribbons with applying a static electric field across the ribbon, which breaks the inversion symmetry to generate nonzero second order optical responses by dipole interaction. These two types of currents can be separately excited by specific light polarization, circularly polarized lights for injection currents and linearly polarized lights for shift currents. Based on a tight binding model formed by carbon 2p$_z$ orbitals, we numerically calculate the spectra of injection coefficients and sh…
We propose systems that allow a tuning of the phonon transmission function T($ω$) in graphene nanoribbons by using C$^{13}$ isotope barriers, antidot structures, and distinct boundary conditions. Phonon modes are obtained by an interatomic fifth-nearest neighbor force-constant model (5NNFCM) and T($ω$) is calculated using the non-equilibrium Green's function formalism. We show that by imposing partial fixed boundary conditions it is possible to restrict contributions of the in-plane phonon modes to T($ω$) at low energy. On the contrary, the transmission functions of out-of-plane phonon modes c…
The on-surface synthesis of nano-graphenes has led the charge in prototyping structures with perspectives beyond silicon-based technology. Following reports of open-shell systems in graphene-nanoribbons (GNR), a flurry of research activities is directed at investigating their magnetic properties with a keen eye for spintronic applications. Although the synthesis of nano-graphenes is usually straightforward on gold, it is difficult to use it for electronic decoupling and spin-polarized measurements. Using a binary alloy Cu3Au(111), we show how to combine the efficient gold-like nano-graphene fo…
Electronic properties of bilayer graphene are distinct from both the conventional two dimensional electron gas and monolayer graphene due to its particular chiral properties and excitation charge carrier dispersions. We study the effect of strain on the electronic structure, the edge-states and charge transport of bilayer graphene nanoribbon at zero-temperature. We demonstrate a valley polarized quantum Hall effect in biased bilayer graphene when the system is subjected to a perpendicular magnetic field. In this system a topological phase transition from a quantum valley Hall to a valley polar…
The nonequilibrium time-dependent fluctuations of charge current have recently emerged as a sensitive experimental tool to probe ballistic transport through evanescent wave functions introduced into clean wide and short graphene strips by the attached metallic electrodes. We demonstrate that such "pseudo-diffusive" shot noise can be substantially modified in zigzag graphene nanoribbon (ZGNR) due to the topology of its edges responsible for localized states that facilitate ferromagnetic ordering along the edge when Coulomb interaction is taken into account. Thus, the shot noise enhancement of u…
We provide a systematic quantitative description of spin polarization in armchair and zigzag graphene nanoribbons in a perpendicular magnetic field. We first address spinless electrons within the Hartree approximation studying the evolution of the magnetoband structure and formation of the compressible strips. We discuss the potential profile and the density distribution near the edges and the difference and similarities between armchair and zigzag edges. Accounting for the Zeeman interaction and describing the spin effects via the Hubbard term we study the spin-resolved subband structure and …
Zigzag phosphorene nanoribbons are metallic owing to the edge states, whose energies are inside the gap and far from the bulk bands. We show that -- through electrical manipulation of edge states -- electron propagation can be restricted to one of the ribbon edges or, in case of bilayer phosphorene nanoribbons, to one of the layers. This finding implies that edge and layer can be regarded as tunable equivalents of the spin-one-half degree of freedom, i.e., the pseudospin. In both layer- and edge-pseudospin schemes, we propose and characterize a pseudospin field-effect transistor, which can gen…
The control and generation of spin-polarized currents (SPCs) without magnetic materials and external magnetic field is a big challenge in spintronics and normally requires spin-flip mechanism. In this work, we propose a novel method to control and generate SPCs in stanene nanoribbons in the quantum spin Hall (QSH) insulator regime by all electrical means without spin-flip mechanism. This is achieved with intrinsic spin-orbit coupling in stanene nanoribbons by tuning the relative phase of spin up and down electrons using a gate voltage, which creates a time delay between them thereby producing …
Hexagonal boron nitride is an ideal dielectric to form two-dimensional heterostructures due to the fact that it can be exfoliated to be just few atoms thick and its a very low density of defects. By placing graphene nanoribbons on high quality hexagonal boron nitride it is possible to create ideal quasi one dimensional (1D) systems with very high mobility. The availability of high quality one-dimensional electronic systems is of great interest also given that when in proximity to a superconductor they can be effectively engineered to realize Majorana bound states. In this work we study how a b…
We have investigated structure, electronic, and magnetic properties of metal-terminated zigzag graphene nanoribbons (M-ZGNRs) by first-principles calculations. Two families of metal terminations are studied: (1) 3d-transition metals (TMs) Fe, Co, and Ni and (2) noble metals (NMs) Cu, Ag, and Au. All systems have spin-polarized edge states with antiferromagnetic (AFM) ordering between two edges, except Co-ZGNRs and Ni-ZGNRs which exhibit negligibly small energy differences between AFM and ferromagnetic states with the given ribbon width. In the AFM state the TM terminations transform semiconduc…
Excitonic spectra of armchair graphene nanoribbons (AGNRs) obtained from a full many-body exact diagonalization of the Hubbard model are reported for both longitudinally and transversely polarized photons, thus providing a complete survey of low-energy may-body optical excitations in these systems. The resulting one-photon allowed eigenstates turn out to be well separated in energy from each other but both couple to the same set of two-photon allowed states. The magnitude of the calculated optical oscillator strengths for perpendicular polarization suggest that these optical features can be in…
Propagating edge and interfacial states in corrugated graphene: Robustness and configurability
University of Science and Technology Houari Boumediene（哈乌阿里·布麦迪内科技大学）；Ecole Supérieure des Sciences des Aliments et des Industries Agroalimentaires（食品科学与食品工业高等学院）；The University of Hong Kong（香港大学）；Ohio University（俄亥俄大学）
Chiral graphene nanoribbons are extremely interesting structures due to their low bandgaps and potential development of spin-polarized edge states. Here, we study their band structure on low work function silver surfaces and assess the effect of charge transfer on their properties.
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 …
Junctions composed of two crossed graphene nanoribbons (GNRs) have been theoretically proposed as electron beam splitters where incoming electron waves in one GNR can be split coherently into propagating waves in \emph{two} outgoing terminals with nearly equal amplitude and zero back-scattering. Here we scrutinize this effect for devices composed of narrow zigzag GNRs taking explicitly into account the role of Coulomb repulsion that leads to spin-polarized edge states within mean-field theory. We show that the beam-splitting effect survives the opening of the well-known correlation gap and, mo…
For graphene nanoribbons with Rashba spin-orbit coupling, the peculiar magnetic response due to the presence of a magnetization and geometric confinement are analyzed within a tight-binding model. We observe a sizable transverse susceptibility that can be considered as a gate voltage-induced magnetoelectric torque without the need of a bias voltage, with different directions for zigzag and armchair ribbons. The local torque generates non-collinear spin polarization between the two edges and/or along the ribbon, and the net torque averages to zero if the magnetization is homogeneous. Neverthele…
We investigate spin effects in transport across fully interacting, finite size graphene armchair nanoribbons (ACNs) contacted to collinearly spin-polarized leads. In such systems, the presence of short ranged Coulomb interaction between bulk states and states localized at the ribbon ends leads to novel spin-dependent phenomena. Specifically, the total spin of the low energy many-body states is conserved during tunneling but that of the bulk and end states is not. As a consequence, in the single-electron regime, dominated by Coulomb blockade phenomena, we find pronounced negative differential c…
It has recently been shown that electronic transport in zigzag graphene nanoribbons becomes spin-polarized upon application of an electric field across the nanoribbon width. However, the electric fields required to experimentally induce this magnetic state are typically large and difficult to apply in practice. Here, using both first-principles density functional theory (DFT) and time-dependent DFT, we show that a new spiropyran-based, mechanochromic polymer noncovalently deposited on a nanoribbon can collectively function as a dual opto-mechanical switch for modulating its own spin-polarizati…
Using density functional theory, we predict half-metallicity in edge hydrogenated armchair boron nitride nanoribbons (ABNNRs). The predicted spin polarization is analyzed in detail by calculating electronic and magnetic properties of these hydrogenated ABNNRs by means of first-principles calculations within the local spin-density approximation (LSDA). ABNNRs with only edge B atoms passivated by H atoms are found to be half-metallic (regardless of their width) with a half-metal gap of 0.26 eV. Upto 100% spin polarized charge transport is predicted across the Fermi level owing to the giant spin …
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 …
Graphene nanoribbons (GNRs), low-dimensional platforms for carbon-based electronics, show the promising perspective to also incorporate spin polarization in their conjugated electron system. However, magnetism in GNRs is generally associated to localized states around zigzag edges, difficult to fabricate and with high reactivity. Here we demonstrate that magnetism can also be induced away from physical GNR zigzag edges through atomically precise engineering topological defects in its interior. A pair of substitutional boron atoms inserted in the carbon backbone breaks the conjugation of their …
