Related papers: Designer spin order in diradical nanographenes
A systematic study is made on geometric, electronic and magnetic properties of one-dimensional graphene nanoribbons using the first-principles calculations. The feature-rich essential properties result from the various orbital…
We examine the possibility of using graphene nanoribbons (GNRs) with directly substituted chromium atoms as spintronic device. Using density functional theory, we simulate a voltage bias across a constructed GNR in a device setup, where a…
Phenalenyl (C$_{13}$H$_9$) is an open-shell spin-$1/2$ nanographene. Using scanning tunneling microscopy (STM) inelastic electron tunneling spectroscopy (IETS), covalently-bonded phenalenyl dimers have been shown to feature conductance…
In a nanographene ring with zigzag edges, the spin-polarized state and the charge-polarized state are stabilized by the on-site and the nearest neighbor Coulomb repulsions, U and V, respectively, within the extended Hubbard model under the…
Nanographite systems, where graphene sheets of the orders of the nanometer size are stacked, show novel magnetic properties, such as, spin-glass like behaviors, and the change of ESR line widths while gas adsorptions. Recently, it has been…
First principles calculations are used to establish that the electronic structure of graphene ribbons with zig-zag edges is unstable with respect to magnetic polarisation of the edge states. The magnetic interaction between edge states is…
A major challenge of spintronics is in generating, controlling and detecting spin-polarized current. Manipulation of spin-polarized current, in particular, is difficult. We demonstrate here, based on calculated transport properties of…
Quantum confinement of graphene carriers is an effective way to engineer its properties. It is commonly realized through physical edges that are associated with the deterioration of mobility and strong suppression of plasmon resonances.…
We address the problem of spin-resolved scattering through spin-orbit nanostructures in graphene, i.e., regions of inhomogeneous spin-orbit coupling on the nanometer scale. We discuss the phenomenon of spin-double refraction and its…
We examine the magnetic correlations in quantum spin models that were derived recently as effective low-energy theories for electronic correlation effects on the edge states of graphene nanoribbons. For this purpose, we employ quantum Monte…
For most chiralities, semiconducting nanotubes display topologically protected end states of multiple degeneracies. We demonstrate using density matrix renormalization group based quantum chemistry tools that the presence of Coulomb…
We investigate the edge-state magnetism of graphene nanoribbons using projective quantum Monte Carlo simulations and a self-consistent mean-field approximation of the Hubbard model. The static magnetic correlations are found to be short…
Motivated by the possibility of combining spintronics with molecular structures, we investigate the conditions for the appearance of spin-polarization in low-dimensional tubular systems by contacting them to a magnetic substrate. We derive…
Magnetic nanographenes are emerging as versatile building blocks for artificial spin lattices, enabling the exploration of flagship one-dimensional quantum-magnetism models with unprecedented control. The spin-1 Heisenberg model, including…
Van der Waals layered materials are a focus of materials research as they support strong quantum effects and can easily form heterostructures. Electron spins in van der Waals materials played crucial roles in many recent breakthroughs,…
Graphene nanoribbons (GNRs) are one-dimensional nanostructures predicted to display a rich variety of electronic behaviors. Depending on their structure, GNRs realize metallic and semiconducting electronic structures with band gaps that can…
There has been tremendous interest in manipulating electron and hole-spin states in low-dimensional structures for electronic and spintronic applications. We study the edge magnetic coupling and anisotropy in zigzag stanene nanoribbons, by…
We demonstrate that hexagonal graphene nanoflakes with zigzag edges display quantum interference (QI) patterns analogous to benzene molecular junctions. In contrast with graphene sheets, these nanoflakes also host magnetism. The cooperative…
Using the non-equilibrium Green's functions formalism in a tight binding model, the spin-dependent transport in armchair graphene nanoribbon (GNR) structures controlled by a ferromagnetic gate is investigated. Beyond the oscillatory…
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…