Related papers: Engineering spin exchange in non-bipartite graphen…
It is difficult to completely eliminate disorder during the fabrication of graphene-based nanodevices. From a simulation perspective, it is straightforward to determine the electronic transport properties of disordered devices if complete…
In this work, a trial understanding for the physics underling the construction of exchange (hopping) matrix $\mathbf{E}$ in Heisenberg model (tight binding model) for 2D materials is done. It is found that the $\mathbf{E}$ matrix describes…
Electronic transport with a line (or a few lines) of Anderson type disorder in a zigzag graphene nanoribbon is investigated in presence of Rashba spin-orbit interaction. Such line disorders give rise to peculiar behavior in both charge as…
The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on…
Bilayer graphene nanoribbon with zigzag edge is investigated with the tight binding model. Two stacking structures, alpha and beta, are considered. The band splitting is seen in the alpha structure, while the splitting in the wave number…
We study the properties of edge states in in-plane heterostructures made of adjacent zigzag graphene and BN ribbons. While in pure zigzag graphene nanoribbons, gapless edge states are nearly flat and cannot contribute significantly to the…
Graphene, being one-atom thick, is extremely sensitive to the presence of adsorbed atoms and molecules and, more generally, to defects such as vacancies, holes and/or substitutional dopants. This property, apart from being directly usable…
We report a strain-controlled tuning of magnetism in transition-metal-atom-decorated graphene. Our first-principles calculations demonstrate that strain can lead to a sudden change in the magnetic configuration of a transition metal (TM)…
Motivated by recent developments in twisted bilayer graphene moir\'e superlattices, we investigate the effects of electron-electron interactions in a honeycomb lattice with an applied periodic potential using a finite-temperature…
A review work is done for electronic and optical properties of graphene nanoribbons in magnetic, electric, composite, and modulated fields. Effects due to the lateral confinement, curvature, stacking, non-uniform subsystems and hybrid…
The effective spin exchange coupling between impurities (adatoms) on graphene mediated by conduction electrons is studied as a function of the strength of the potential part of the on-site energy $U$ of the electron-adatom interaction. With…
We study exchange interaction in zigzag bilayer phosphorene nanoribbons (ZBLPNRs) under a perpendicular electric field. We evaluate the spatial and electric field dependency of static spin susceptibility in real space in various…
Realizing magnetism in graphene/carbon nanostructures is a decade-long challenge. The magnetic edge state and half metallicity in zigzag graphene nanoribbons are particularly promising [Y.-W. Son, et al., Nature 444, 347 (2006)]. However,…
We have studied the topological properties of free standing Sn doped cadmium chalcogenide (CdSnX, X = S, Se and Te) nanoribbons of varying widths and three types of edges viz., distorted armchair, normal armchair and normal zigzag edges.…
Using ab initio calculations, we study the electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene. Those defects are found to share similar low-energy electronic features, since they both remove a pz…
Along with the inherent remarkable properties of graphene, adatom-intercalated graphene-related systems are expected to exhibit tunable electronic properties. The metal-based atoms could provide multi-orbital hybridizations with the…
We have performed a first-principles study on the deformation effect of the electronic structures of graphite nanoribbon arrays with zigzag edges on both sides, and the edge atoms are terminated with hydrogen atoms. A uniaxial strain is…
The edges of graphene nanoribbons (GNRs) have attracted much interest due to their potentially strong influence on GNR electronic and magnetic properties. Here we report the ability to engineer the microscopic edge termination of high…
A systematic study is conducted on the fluorination-enriched essential properties of 2D graphene and 1D graphene nanoribbons using the first-principles method. The combined effects, which arise from the significant chemical bonds in C-C,…
We discuss the role of spin-flip scattering of electrons from the magnetized edges in graphene nanoribbons. The spin-flip scattering is associated with strong fluctuations of the magnetic moments at the edge. Using the Boltzmann equation…