Related papers: Switching On Magnetism in Ni-doped Graphene
Understanding magnetoresistance, the change in electrical resistance upon an external magnetic field, at the atomic level is of great interest both fundamentally and technologically. Graphene and other two-dimensional layered materials…
Pristine graphene interacts relatively weakly with Al, which is a specie of importance for novel generations of metal-ion batteries. We employ DFT calculations to explore the possibility of enhancing Al interaction with graphene. We…
The recent discovery of two-dimensional magnetic insulators has generated a great deal of excitement over their potential for nanoscale manipulation of spin or magnetism. One intriguing use for these materials is to put them in contact with…
Experimental challenges in identifying various types of magnetic ordering in graphene quantum dots (QDs) pose a major hurdle in the application of these nanostructures for spintronic devices. }Based upon phase diagrams obtained by employing…
We consider the orbital magnetic properties of non-interacting charge carriers in graphene-based nanostructures in the low-energy regime. The magnetic response of such systems results both, frombulk contributions and from confinement…
A nano-stitching method is proposed and investigated to modify graphene bilayers. Based this method, four types of low energy carbon allotropes, "wormhole graphene" allotropoes, are obtained and their structures, stabilities and electronic…
The unusual band structure of carbon nanotubes (CNs) results in their remarkable magnetic properties. The application of magnetic field parallel to the tube axis can change the conducting properties of the CN from metallic to semiconducting…
Using the nonequilibrium Green function formalism combined with density functional theory, we study finite-bias quantum transport in Ni/Gr_n/Ni vertical heterostructures where $n$ graphene layers are sandwiched between two semi-infinite…
By using the full potential linear augmented plane wave (FP-LAPW) method and full potential local orbital minimum basis (FP-LOMB) method within generalized gradient approximation (GGA), we studied the electronic structures and magnetic…
The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…
We show that, in graphene with a small concentration of adatoms, the total magnetic moment $\mu_T$ can be switched on and off by varying the Fermi energy $E_F$, either by applying a gate voltage or by suitable chemical doping. Our…
We report a theoretical study suggesting a novel type of electronic switching effect, driven by the geometrical reconstruction of nanoscale graphene-based junctions. We considered junction struc- tures which have alternative metastable…
We present a theoretical study of the structural and electronic properties of graphene monolayer functionalized with boron and nitrogen atoms substituting carbon atoms. Our study is based on the ab initio calculations in the framework of…
Atomic-scale fabrication is an outstanding challenge and overarching goal for the nanoscience community. The practical implementation of moving and fixing atoms to a structure is non-trivial considering that one must spatially address the…
Magnetic properties and band characteristics of graphene-nano-ribbon (GNR) modified by Fe, Co, and Ni were analyzed by the first principles DFT calculation. Typical unit cell is [C32H2Fe1], [C32H2Co1] and [C32H2Ni1] respectively. The most…
In this work we have investigated the mechanical properties and fracture patterns of some graphene nanowiggles (GNWs). Graphene nanoribbons are finite graphene segments with a large aspect ratio, while GNWs are nonaligned periodic…
A topological modulation of magnetic thin films can induce a magnetic anisotropy of magnetostatic origin. In this letter, we report on the magnetic properties of NiFe layers deposited on wavy shaped Si substrates. Without any modulation,…
The magnetic structures and interedge magnetic couplings of Fe, Co and Ni transition-metal terminated graphene nanoribbons with zigzag (ZGNR) and armchair (AGNR) edges are studied by first-principles calculations. Fe-ZGNR is found to show…
The strain induced pseudo-magnetic field in supported graphene deposited on top of a nanostructured substrate is investigated by using atomistic simulations. Step, elongated trench, one dimensional barrier, spherical bubbles, Gaussian bump…
Recently, two-dimensional nanostructures consisting of alternating graphene and boron nitride (BN) domains have been synthesized. These systems possess interesting electronic and mechanical properties, with potential applications in…