相关论文: Investigation of Edge States in Artificial Graphen…

We investigate the effect of edge defects (vacancies) and impurities (substitutional dopants) on the robustness of spin-polarization in graphene nanoribbons (GNRs) with zigzag edges, using density-functional-theory calculations. We found…

Electrons in graphene have fourfold spin and valley degeneracies owing to the unique bipartite honeycomb lattice and an extremely weak spin-orbit coupling, which can support a series of broken symmetry states. Atomic-scale defects in…

We study the possibility of nanoscale phase separation in manganites in the framework of the double exchange model. The homogeneous canted state of this model is proved to be unstable toward the formation of small ferromagnetic droplets…

Using ab initio density functional theory and quantum transport calculations based on nonequilibrium Green's function formalism we study structural, electronic, and transport properties of hydrogen-terminated short graphene nanoribbons…

Magnetic order emerging in otherwise non-magnetic materials as carbon is a paradigmatic example of a novel type of s-p electron magnetism predicted to be of exceptional high-temperature stability. It has been demonstrated that atomic scale…

In this article we discuss confinement of electrons in graphene via smooth magnetic fields which are finite everywhere on the plane. We shall consider two types of magnetic fields leading to systems which are conditionally exactly solvable…

We study theoretically the coherent electron focusing in graphene nanoribbons. Using semiclassical and numerical tight binding calculations we show that perfect armchair edges give rise to equidistant peaks in the focusing spectrum. In the…

We study vibrational states localized at the edges of graphene nanoribbons. Such surface oscillations can be considered as a phonon analog of Tamm states well known in the electronic theory. We consider both armchair and zigzag graphene…

We investigate the magnetic properties of nano-holes (NHs) patterned in graphene using first principles calculations. We show that superlattices consisting of a periodic array of NHs form a new family of 2D crystalline "bulk" magnets whose…

Strain can tailor the band structures and properties of graphene nanoribbons (GNRs) with the well-known emergent pseudo-magnetic fields and the corresponding pseudo-Landau levels (pLLs). We design one type of the zigzag GNR (ZGNR) with…

Carbon Nanoflakes (CNFs) with average diameters of about 30 nm have been prepared and isolated in bulk quantities by a single-step oxidation procedure using single-wall carbon nanotube arc-discharge material and nitric acid. The CNFs are…

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…

Recent experiments indicate room-temperature ferromagnetism in graphite-like materials. This paper offers multiple spin state analysis applied to asymmetric graphene molecule to find out mechanism of ferromagnetic nature. First principle…

Wrinkles in monolayer graphene (GN) affect the GN electronic and transport properties. Defined network of wrinkles can be reached by placing the GN on the substrate decorated with the nanoparticles (NPs). In order to explain mechanism…

Graph Neural Networks (GNNs) have significant advantages in handling non-Euclidean data and have been widely applied across various areas, thus receiving increasing attention in recent years. The framework of GNN models mainly includes the…

We theoretically design a graphene-based all-organic ferromagnetic semiconductor by terminating zigzag graphene nanoribbons (ZGNRs) with organic magnets. A large spin-split gap with 100% spin polarized density of states near the Fermi…

Effects of the nearest neighbor Coulomb interaction on nanographene ribbons with zigzag edges are investigated using the extended Hubbard model within the unrestricted Hartree-Fock approximation. The nearest Coulomb interaction stabilizes a…

Generating spintronic devices has been a goal for the nano-science. We have used density function theory to determine magnetic phases of single layer and bilayer lithium doped graphene nanoflakes. We have introduced graphene flakes as…

Edge states of photonic crystals have attracted much attention for the potential applications such as high transmission waveguide bends, spin dependent splitters and one-way photonic circuits. Here, we theoretically discuss and…

Here we present a flexible strategy to realize robust nanomaterials exhibiting valence electronic structures whose fundamental physics is described by the SSH-Hamiltonian. These solid-state materials are realized using atomically precise…