No Arabic abstract
We study the electronic properties of a position-dependent effective mass electron on a bilayer graphene catenoid bridge. We propose a position-dependent mass (PDM) as a function of both gaussian and mean curvature. The hamiltonian exhibits parity and time-reversal steaming from the bridge symmetry. The effective potential contains the da Costa, centrifugal and PDM terms which are concentrated around the catenoid bridge. For zero angular momentum states, the PDM term provides a transition between a reflectionless to a double-well potential. As a result, the bound states undergo a transition from a single state around the bridge throat into two states each one located at rings around the bridge. Above some critical value of the PDM coupling constant, the degeneracy is restored due to double-well tunneling resonance.
In this paper, we study the Dirac equation for an electron constrained to move on a catenoid surface. We decoupled the two components of the spinor and obtained two Klein-Gordon-like equations. Analytical solutions were obtained using supersymmetric quantum mechanics for two cases, namely, the constant Fermi velocity and the position-dependent Fermi velocity cases.
Realizations of some topological phases in two-dimensional systems rely on the challenge of jointly incorporating spin-orbit and magnetic exchange interactions. Here, we predict the formation and control of a fully valley-polarized quantum anomalous Hall effect in bilayer graphene, by separately imprinting spin-orbit and magnetic proximity effects in different layers. This results in varying spin splittings for the conduction and valence bands, which gives rise to a topological gap at a single Dirac cone. The topological phase can be controlled by a gate voltage and switched between valleys by reversing the sign of the exchange interaction. By performing quantum transport calculations in disordered systems, the chirality and resilience of the valley-polarized edge state are demonstrated. Our findings provide a promising route to engineer a topological phase that could enable low-power electronic devices and valleytronic applications.
We reveal a proximity effect between a topological band (Chern) insulator described by a Haldane model and spin-polarized Dirac particles of a graphene layer. Coupling weakly the two systems through a tunneling term in the bulk, the topological Chern insulator induces a gap and an opposite Chern number on the Dirac particles at half-filling resulting in a sign flip of the Berry curvature at one Dirac point. We study different aspects of the bulk-edge correspondence and present protocols to observe the evolution of the Berry curvature as well as two counter-propagating (protected) edge modes with different velocities. In the strong-coupling limit, the energy spectrum shows flat bands. Therefore we build a perturbation theory and address further the bulk-edge correspondence. We also show the occurrence of a topological insulating phase with Chern number one when only the lowest band is filled. We generalize the effect to Haldane bilayer systems with asymmetric Semenoff masses. We propose an alternative definition of the topological invariant on the Bloch sphere.
We introduce a multi-scale approach to obtain accurate atomic and electronic structures for atomically relaxed twisted bilayer graphene. High-level exact exchange and random phase approximation (EXX+RPA) correlation data provides the foundation to parametrize systematically improved force fields for molecular dynamic simulations that allow relaxing twisted layered graphene systems containing millions of atoms making possible a fine sweeping of twist angles. These relaxed atomic positions are used as input for tight-binding electronic band-structure calculations where the distance and angle-dependent interlayer hopping terms are extracted from density functional theory calculations and subsequent representation with Wannier orbitals. We benchmark our results against published force fields and widely used tight-binding models and discuss their impact in the spectrum around the flat band energies. We find that our relaxation scheme yields a magic angle of twisted bilayer graphene consistent with experiments between $1.0 sim 1.1$ degree using commonly accepted Fermi velocities of graphene $v_F = 1.0 sim 1.1 times 10^6$ m/s that is enhanced by about 14%-20% compared with often used local density approximation estimates. Finally, we present high-resolution spectral function calculations for comparison with experimental ARPES. Additional force field parameters are provided for hBN-layered materials.
We investigate the effects of lithium intercalation in twisted bilayers of graphene, using first-principles electronic structure calculations. To model this system we employ commensurate supercells that correspond to twist angles of 7.34$^circ$ and 2.45$^circ$. From the energetics of lithium absorption we demonstrate that for low Li concentration the intercalants cluster in the AA regions with double the density of a uniform distribution. The charge donated by the Li atoms to the graphene layers results in modifications to the band structure that can be qualitatively captured using a continuum model with modified interlayer couplings in a region of parameter space that has yet to be explored either experimentally or theoretically. Thus, the combination of intercalation and twisted layers simultaneously provides the means for spatial control over material properties and an additional knob with which to tune moire physics in twisted bilayers of graphene, with potential applications ranging from energy storage and conversion to quantum information.