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Register a new userMagnetic Interactions Between Radical Pairs in Chiral Graphene Nanoribbons
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Magnetic graphene nanoribbons (GNRs) have become promising candidates for future applications, including quantum technologies. Here, we characterize magnetic states hosted by chiral graphene nanoribbons (chGNRs). The substitution of a hydrogen atom at the chGNR edge by a ketone group effectively adds one p_z electron to the {pi}-electron network, thus producing an unpaired {pi} radical. A closely related scenario occurs for regular ketone-functionalized chGNRs in which one oxygen atom is missing. Two such radical states can interact via exchange coupling and we study those interactions as a function of their relative position, which includes a remarkable dependence on the chirality, as well as on the nature of the surrounding GNR, i.e., with or without ketone functionalization. In addition, we determine the parameters whereby this type of systems with oxygen heteroatoms can be adequately described within the widely used mean-field Hubbard model. Altogether, we provide new insights to both theoretically model and devise GNR-based nanostructures with tunable magnetic properties.
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Contributing to the need of new graphene nanoribbon (GNR) structures that can be synthesized with atomic precision, we have designed a reactant that renders chiral (3,1) - GNRs after a multi-step reaction including Ullmann coupling and cyclodehydrogenation. The nanoribbon synthesis has been successfully proved on different coinage metals, and the formation process, together with the fingerprints associated to each reaction step, has been studied combining scanning tunnelling microscopy, core-level spectroscopy and density functional calculations. In addition to the GNR chiral edge structure, the substantial GNR lengths achieved and the low processing temperature required to complete the reaction grant this reactant extremely interesting properties for potential applications.
Topology concepts have significantly deepened of our understanding in recent years of the electronic properties of one-dimensional (1D) nano structures such as the graphene nanoribbons. Controlling topological electronic properties of GNRs has been demonstrated in both theoretical studies and experimental realization. Most previous works rely on classification theory requiring both time reversal and spatial symmetry of a unit cell in the 1D bulk material that is commensurate to its boundary. To access boundary structures that lead to unit cell with no spatial symmetry and to generalize the theory, we propose here another classification scheme, using chiral symmetry, to arrive at a Z classification that is not only applicable to GNRs with arbitrary terminations, but also to any general 1D chiral structures. This theory, combining with Liebs theorem, moreover enables access to the electrons spin degree of freedom, allowing for investigation of spin physics.
We consider the interaction between acceptor pairs in doped semiconductors in the limit of large inter-acceptor separation relevant for low doping densities. Modeling individual acceptors via the spherical model of Baldereschi and Lipari, we calculate matrix elements of the quadrupole tensor between the four degenerate ground states and show that the acceptor has a nonzero quadrupole moment. As a result, the dominant contribution to the large-separation acceptor-acceptor interaction comes from direct (charge-density) terms rather than exchange terms. The quadrupole is the leading nonzero moment, so the electric quadrupole-quadrupole interaction dominates for large separation. We calculate the matrix elements of the quadrupole-quadrupole interaction Hamiltonian in a product-state basis and diagonalize, obtaining a closed-form expression for the energies and degeneracies of the sixteen-state energy spectrum. All dependence on material parameters enters via an overall prefactor, resulting in surprisingly simple and universal results. This simplicity is due, in part, to a mathematical happenstance, the nontrivial vanishing of a particular Wigner 6-j symbol. Results are relevant to the control of two-qubit interactions in quantum computing implementations based on acceptor spins, as well as calculations of the thermodynamic properties of insulating p-type semiconductors.
Graphene has been identified as a promising material with numerous applications, particularly in spintronics. In this paper we investigate the peculiar features of spin excitations of magnetic units deposited on graphene nanoribbons and how they can couple through a dynamical interaction mediated by spin currents. We examine in detail the spin lifetimes and identify a pattern caused by vanishing density of states sites in pristine ribbons with armchair borders. Impurities located on these sites become practically invisible to the interaction, but can be made accessible by a gate voltage or doping. We also demonstrate that the coupling between impurities can be turned on or off using this characteristic, which may be used to control the transfer of information in transistor-like devices.
A theoretical study of the transport properties of zigzag and armchair graphene nanoribbons with a magnetic barrier on top is presented. The magnetic barrier modifies the energy spectrum of the nanoribbons locally, which results in an energy shift of the conductance steps towards higher energies. The magnetic barrier also induces Fabry-Perot type oscillations, provided the edges of the barrier are sufficiently sharp. The lowest propagating state present in zigzag and metallic armchair nanoribbons prevent confinement of the charge carriers by the magnetic barrier. Disordered edges in nanoribbons tend to localize the lowest propagating state, which get delocalized in the magnetic barrier region. Thus, in sharp contrast to the case of two-dimensional graphene, the charge carriers in graphene nanoribbons cannot be confined by magnetic barriers. We also present a novel method based on the Greens function technique for the calculation of the magnetosubband structure, Bloch states and magnetoconductance of the graphene nanoribbons in a perpendicular magnetic field. Utilization of this method greatly facilitates the conductance calculations, because, in contrast to excising methods, the present method does not require self-consistent calculations for the surface Greens function.
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