Related papers: Edge state effects in junctions with graphene elec…
The quantum Hall (QH) effect, a topologically non-trivial quantum phase, expanded and brought into focus the concept of topological order in physics. The topologically protected quantum Hall edge states are of crucial importance to the QH…
Theoretical study of graphite (graphene) edge is done. The most stable edge orientation is calculated to be a zigzag [110] edge. Possible applications of the result to the formation of different graphitic structures are discussed.
Vibrational properties of graphene nanoribbons are examined with density functional based tight-binding method and non-resonant bond polarization theory. We show that the recently discovered reconstructed zigzag edge can be identified from…
We investigate the electronic confinement in bilayer graphene by topological loops of different shapes. These loops are created by lateral gates acting via gap inversion on the two graphene sheets. For large-area loops the spectrum is well…
We present a theory of electronic properties of gated triangular graphene quantum dots with zigzag edges as a function of size and carrier density. We focus on electronic correlations, spin and geometrical effects using a combination of…
Graphene is an attractive electrode material to contact nanostructures down to the molecular scale since it can be gated electrostatically. Gating can be used to control the doping and the energy level alignment in the nanojunction, thereby…
The thermodynamic properties of the electron gas in multilayer graphene depend strongly on the number of layers and the type of stacking. Here we analyse how those properties change when we vary the number of layers for rhombohedral stacked…
The flat band of edge states which occur in the simple tight-binding lattice model of graphene with a zig-zag edge have long been conjectured to take up a ferromagnetic configuration. In this work we demonstrate that, for a large class of…
We investigate the effect of edges on the intrinsic electron-electron interaction driven d-wave superconducting state in graphene doped close to the van Hove singularity. While the bulk is in a chiral $d_{x^2-y^2}+id_{xy}$ state, the order…
Two-dimensional graphite sheets with a certain type of edges are known to support boundary states localized near the edges. Forming a flat band with a sharp peak in the density of states at the Fermi energy, they can trigger a magnetic…
We study the electronic states of narrow graphene ribbons (``nanoribbons'') with zigzag and armchair edges. The finite width of these systems breaks the spectrum into an infinite set of bands, which we demonstrate can be quantitatively…
The electronic energy gap and total dipole moment of chemically functionalized hexagonal and triangular graphene quantum dots are investigated by the density functional theory. It has been found that the energy gap can be efficiently tuned…
We investigate the energy spectrum, wave functions, and local density of states of an electrical dipole placed on a sheet of gapped graphene as function of the charge strength Z{\alpha} for different sizes of the dipole and for different…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
In electrochemical systems, the structure of electrical double layers (EDLs) near electrode surfaces is crucial for energy conversion and storage functions. While the electrodes in real-world systems are usually heterogeneous, to date the…
We report a theoretical study of the many-body effects of electron-electron interaction on the ground-state and spectral properties of double-layer graphene. Using a projector-based renormalization method we show that if a finite voltage…
We theoretically study electronic properties of a graphene sheet on xy plane in a spatially nonuniform magnetic field, $B = B_0 \hat{z}$ in one domain and $B = B_1 \hat{z}$ in the other domain, in the quantum Hall regime and in the…
Vibrational nonequilibrium effects in charge transport through single-molecule junctions are investigated. Focusing on molecular bridges with multiple electronic states, it is shown that electronic-vibrational coupling triggers a variety of…
Energies and wave functions of edge states in twodimensional electron gas are evaluated for a finite step potential barrier model. The spectrum exhibits richer structure than observed previously for an infinite barrier model. Surprisingly,…
We show that monolayer graphene intrinsically hosts higher-order topological corner states, in which electrons are localized topologically at atomic sizes. The emergence of the topological corner states in graphene is due to a nontrivial…