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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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Journal ArticleDOI

Edge states in graphene-like systems

TL;DR: In this paper, a unified vision of the properties of all these edge states, examined under the light of the same one orbital tight-binding model, is provided, which considers the combined action of interactions, spin-orbit coupling and magnetic field, which produces a wealth of different physical phenomena.
Journal ArticleDOI

First Principles Study of the Binding of 4d and 5d Transition Metals to Graphene

TL;DR: In this paper, the strength of the binding of 4d and 5d transition metals on a graphene sheet in the limit of high-coverage using first principles density functional theory was studied.
Posted Content

Thermal Dynamics of Graphene Edges Investigated by Polarized Raman Spectroscopy

TL;DR: In this paper, a Raman spectroscopy investigation of the thermal stability and dynamics of graphene edges was conducted, and it was found that graphene edges (both armchair and zigzag) are not stable and undergo modifications even at temperature as low as 200°C.
Journal ArticleDOI

Physical properties and potential applications of two-dimensional metallic transition metal dichalcogenides

TL;DR: In this article, a review of magnetic properties of 2D metallic transition metal dichalcogenides (MTMDCs) is presented, including charge-density-wave (CDW) order, superconductivity, and magnetism.
Journal ArticleDOI

Density functional study on the increment of carrier mobility in armchair graphene nanoribbons induced by Stone–Wales defects

TL;DR: The investigation indicates that both the nanoribbons and the defective structures are semiconductors, and a low concentration of middle Stone-Wales defects generally increases the carrier mobility, calculated using deformation potential theory, while edge Stone-wales defects decrease it.
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.
Journal ArticleDOI

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.
Journal ArticleDOI

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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