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Half-metallic graphene nanoribbons

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TLDR
In this article, it was shown that if in-plane homogeneous electric fields are applied across the zigzag-shaped edges of the graphene nanoribbons, their magnetic properties can be controlled by the external electric fields.
Abstract
Electrical current can be completely spin polarized in a class of materials known as half-metals, as a result of the coexistence of metallic nature for electrons with one spin orientation and insulating nature for electrons with the other. Such asymmetric electronic states for the different spins have been predicted for some ferromagnetic metals--for example, the Heusler compounds--and were first observed in a manganese perovskite. In view of the potential for use of this property in realizing spin-based electronics, substantial efforts have been made to search for half-metallic materials. However, organic materials have hardly been investigated in this context even though carbon-based nanostructures hold significant promise for future electronic devices. Here we predict half-metallicity in nanometre-scale graphene ribbons by using first-principles calculations. We show that this phenomenon is realizable if in-plane homogeneous electric fields are applied across the zigzag-shaped edges of the graphene nanoribbons, and that their magnetic properties can be controlled by the external electric fields. The results are not only of scientific interest in the interplay between electric fields and electronic spin degree of freedom in solids but may also open a new path to explore spintronics at the nanometre scale, based on graphene.

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Revisiting the Mechanism of Oxidative Unzipping of Multiwall Carbon Nanotubes to Graphene Nanoribbons

TL;DR: It is demonstrated that the oxidative unzipping of MWCNTs is intercalation-driven, not oxidative chemical-bond cleavage as was formerly proposed, and even in highly oxidative media one can obtain nonoxidized GNR products.
Journal ArticleDOI

Ultrathin epitaxial cobalt films on graphene for spintronic investigations and applications

TL;DR: In this article, the growth of flat, epitaxial ultrathin Co films on graphene using pulsed laser deposition was reported, which display perpendicular magnetic anisotropy (PMA) in the thickness range 0.5-1'nm.
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Carbon nanotube, graphene, nanowire, and molecule-based electron and spin transport phenomena using the nonequilibrium Green's function method at the level of first principles theory.

TL;DR: In this article, the authors developed a program code to investigate the electron transport characteristics for a variety of nanometer scaled devices in the presence of an external bias voltage, particularly focusing on k-point sampling for the realistic modeling of the bulk electrode.
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How does folding modulate thermal conductivity of graphene

TL;DR: In this article, the thermal transport in folded graphene nanoribbons using molecular dynamics simulations and the non-equilibrium Green's function method was studied and it was found that the thermal conductivity of flat GNNs can be modulated by folding and changing interlayer couplings.
Journal ArticleDOI

Graphene field effect transistor without an energy gap

TL;DR: The switching mechanism demonstrates that intrinsic graphene can be used in designing logic devices without serious alteration of the conventional field effect transistor architecture and suggests a new variable for the optimization of the graphene-based device—geometry of the gate electrode.
References
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Journal ArticleDOI

Two-dimensional gas of massless Dirac fermions in graphene

TL;DR: This study reports an experimental study of a condensed-matter system (graphene, a single atomic layer of carbon) in which electron transport is essentially governed by Dirac's (relativistic) equation and reveals a variety of unusual phenomena that are characteristic of two-dimensional Dirac fermions.
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Self-interaction correction to density-functional approximations for many-electron systems

TL;DR: In this paper, the self-interaction correction (SIC) of any density functional for the ground-state energy is discussed. But the exact density functional is strictly selfinteraction-free (i.e., orbitals demonstrably do not selfinteract), but many approximations to it, including the local spin-density (LSD) approximation for exchange and correlation, are not.
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Experimental observation of the quantum Hall effect and Berry's phase in graphene

TL;DR: In this paper, an experimental investigation of magneto-transport in a high-mobility single layer of Graphene is presented, where an unusual half-integer quantum Hall effect for both electron and hole carriers in graphene is observed.
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Spintronics: a spin-based electronics vision for the future.

TL;DR: This review describes a new paradigm of electronics based on the spin degree of freedom of the electron, which has the potential advantages of nonvolatility, increased data processing speed, decreased electric power consumption, and increased integration densities compared with conventional semiconductor devices.
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The SIESTA method for ab initio order-N materials simulation

TL;DR: In this paper, a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical linear combination of atomic orbitals basis set, which includes multiple-zeta and polarization orbitals, was developed and implemented.
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