Related papers: Gapped Ferromagnetic Graphene Nanoribbons
Graphene nanoribbons (GNRs), low-dimensional platforms for carbon-based electronics, show the promising perspective to also incorporate spin polarization in their conjugated electron system. However, magnetism in GNRs is generally…
Armchair graphene nanoribbons are a highly promising class of semiconductors for all-carbon nanocircuitry. Here, we present a new perspective on their electronic structure from simple model Hamiltonians and $\textit{ab initio}$…
We present a novel comprehensive first-principles theoretical study of the electronic properties and relative stabilities of edge-oxidized zigzag graphene nanoribbons. The oxidation schemes considered include hydroxyl, carboxyl, ether, and…
Using first-principles calculations, we examine the electronic and magnetic properties of partially open zigzag carbon nanotube (CNT) superlattices. It is found that depending on their opening degree, these superlattices can exhibit…
Graphitic nanostructures, e.g. carbon nanotubes (CNT) and graphene, have been proposed as ideal materials for spin conduction[1-7]; they have long electronic mean free paths[8] and small spin-orbit coupling[9], hence are expected to have…
We study characteristic electronic structures in an extended martini lattice model and propose its materialization in $\pi$-electron networks constructed by designated chemisorption on graphene and silicene. By investigating the minimal…
The spin-dependent electronic structures of aluminum-(Al) doped zigzag silicene nanoribbons (ZSiNRs) are investigated by first-principles calculations. When ZSiNRs are substitutionally doped by a single Al atom on different sites in every…
By exploiting density-matrix renormalization group techniques, we investigate the dynamical spin structure factor of a spin-1/2 Heisenberg chain with ferromagnetic nearest-neighbor and antiferromagnetic next-nearest-neighbor exchange…
Tailor-made graphene nanostructures can exhibit symmetry-protected topological boundary states that host localized spin-$1/2$ moments. However, one frequently observes charge transfer on coinage metal substrates, which results in spinless…
Two types of graphene nanoribbons: (a) potassium-split graphene nanoribbons (GNRs), and (b) oxidative unzipped and chemically converted graphene nanoribbons (CCGNRs) were investigated for their magnetic properties using the combination of…
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…
We explore the electronic properties of finite-length graphene nanoribbons as well as graphene nanodisks with various sizes and shapes in quest of metallic ones. For this purpose it is sufficient to search zero-energy states. We find that…
We extensively characterize the electronic structure of ultra-narrow graphene nanoribbons (GNRs) with armchair edges and zig-zag termini that have 5 carbon atoms across their width (5-AGNRs), as synthesised on Au(111). Scanning tunnelling…
Ab initio calculations indicate that while the electronic states introduced by grain boundaries in graphene are only partially confined to the defect core, a domain boundary introduces states near the Fermi level that are very strongly…
Electronic transport in a graphene-based ferromagnetic/normal/ferromagnetic junction is investigated by means of Landauer-B\"{u}ttiker formulism and the nonequilibrium Green's function technique. For the zigzag edge case, the results show…
First-principles calculations reveal half metallicity in zigzag boron nitride (BN) nanoribbons (ZBNNRs). When the B edge, but not the N edge, of the ZBNNR is passivated, despite being a pure $sp$-electron system, the ribbon shows a giant…
We show how hydrogenation of graphene nanoribbons at small concentrations can open new venues towards carbon-based spintronics applications regardless of any especific edge termination or passivation of the nanoribbons. Density functional…
Open-shell nanographenes offer a controlled setting to study correlated magnetism emerging from $\pi$-electron systems. We analyze oligo(indenoindene) molecules, non-bipartite carbon ladders whose tight-binding spectra feature a gapped,…
The long spin-diffusion length, spin-lifetimes and excellent optical absorption coefficient of graphene provide an excellent platform for building opto-electronic devices as well as spin-based logic in a nanometer regime. In this study, by…
First-principles density functional theory (DFT) study of embedding V and Nb atom in monovacant and divacant graphene is reported. Complete/almost complete spin polarization is verified for V/Nb embedding in MV/DV graphene. The origin of…