Related papers: Magnetic Counting Rule of Radical Carbon Edge Nano…
Graphene-nano-ribbon (GNR) is very attractive for ultra-high density spintronics devices. For checking a capability of self-induced ferromagnetic order, Fe- and FeO-modified GNR were analyzed based on the density functional theory. Model…
The problem of a magnetic impurity, atomic or molecular, absorbed on top of a carbon atom in otherwise clean graphene is studied using the numerical renormalization group. The spectral, thermodynamic, and scattering properties of the…
The emergence of bulk carbon ferromagnetism is long-expected over years. At nanoscale, carbon ferromagnetism was detected by analyzing the magnetic edge states via scanning tunneling microscopy(STM), and its origin can be explained by local…
We present theoretical evidence, based on total-energy first-principles calculations, of the existence of spin-polarized states well localized at and extended along the edges of bare zigzag boron nitride nanoribbons. Our calculations…
We theoretically demonstrate that carbon nanoscrolls -- spirally wrapped graphene layers with open endpoints -- can be characterized by a large positive magnetoconductance. We show that when a carbon nanoscroll is subject to an axial…
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…
Carbon-based magnetic structures promise significantly longer coherence times than traditional magnetic materials, which is of fundamental importance for spintronic applications. An elegant way of achieving carbon-based magnetic moments is…
Zigzag edges of neutral armchair-oriented Graphene Nano-Ribbons show states strongly localized at those edges. They behave as free radicals that can capture electrons during processing, increasing ribbon's stability. Thus, charging and its…
We study magnetic, transport and thermal properties of Cobalt carbide nanocomposite with a mixture of Co2C and Co3C phases in 1:1 ratio, with an average particle diameter of 40$\pm 15$ nm. We show that the behavior of the nanocomposite is…
A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite rectangular graphene nanoribbons is presented. We identify the bisanthrene isomer of the C28H14 molecule to be the smallest…
The magnetic properties of a circular graphene nanoribbon (carbon belt) in a magnetic field parallel to its central axis is studied using a tight-binding model. Orbital magnetic susceptibility is calculated using an analytical expression of…
An important contribution to the thermoelectric and spin-caloric transport properties in magnetic materials at elevated temperatures is the formation of a spin-disordered state due to local moment fluctuations. This effect has not been…
An analysis of a novel magnetic field sensor based on a graphene spin capacitor is presented. The proposed device consists of graphene nanoribbons on top of an insulator material connected to a ferromagnetic source/drain. The time evolution…
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.…
Transport and thermoelectric coefficients (including also spin thermopower) of silicene nanoribbons with zigzag edges are investigated by {\it ab-initio} numerical methods. Local spin density of such nanoribbons reveals edge magnetism. Like…
Spin-ordered electronic states in hydrogen-terminated zigzag nanographene give rise to magnetic quantum phenomena that have sparked renewed interest in carbon-based spintronics. Zigzag graphene nanoribbons (ZGNRs), quasi one-dimensional…
We theoretically examine the possible spin ordered states in zigzag graphene nanoribbon in a large supercell by the self-consistent mean field method as well as the first principle calculation. In addition to the well-known…
Low dimensional carbon-based materials are interesting because they can show intrinsic $\pi$-magnetism associated to p-electrons residing in specific open-shell configurations. Consequently, during the last years there have been impressive…
Mobius graphene nanoribbons have only one edge topologically. How the magnetic structures, previously associated with the two edges of zigzag-edged flat nanoribbons or cyclic nanorings, would change for their Mobius counterparts is an…
Nanographenes with zigzag edges are predicted to manifest non-trivial pi-magnetism resulting from the interplay of hybridization of localized frontier states and Coulomb repulsion between valence electrons. This provides a chemically…