相关论文: Robust band gap and half-metallicity in graphene w…
Two-dimensional atomic crystals can radically change their properties in response to external influences such as substrate orientation or strain, resulting in essentially new materials in terms of the electronic structure. A striking…
Moir\'e structures formed by twisting three layers of graphene with two independent twist angles present an ideal platform for studying correlated quantum phenomena, as an infinite set of angle pairs is predicted to exhibit flat bands.…
Using ab initio calculations, we study the electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene. Those defects are found to share similar low-energy electronic features, since they both remove a pz…
We explore the consequences of electron-phonon (e-ph) coupling in graphene antidot lattices (graphene nanomeshes), i.e., triangular superlattices of circular holes (antidots) in a graphene sheet. They display a direct band gap whose…
Twisted graphene multilayers exhibit strongly correlated insulating states and superconductivity due to the presence of ultraflat bands near the charge neutral point. In this paper, the response of ultraflat bands to lattice relaxation and…
We present magnetic properties of the three-band Hubbard model in the para- and antiferromagnetic phase on a hypercubic lattice calculated with the Dynamical Mean-Field Theory (DMFT). To allow for solutions with broken spin-symmetry we…
When layers of graphene are rotationally misaligned by the magic angle, the moir\'e superlattice features extremely flat bands. Due to the enhanced density of states, the Coulomb interaction induces a variety of instabilities. The most…
We study the band structure and transport property of a zigzag silicene nanoribbon when the electric fields are applied to the edges. It is found that a band bending could be induced and controlled by the antisymmetric edge fields, which…
The electronic shell and supershell structure of triangular graphene quantum dots has been studied using density functional and tight-binding methods. The density functional calculations demonstrate that the electronic structure close to…
We study the effect of electron-acoustic phonon interactions in twisted bilayer graphene on resistivity in the high-temperature transport and superconductivity in the low-temperature phase diagram. We theoretically show that twisted bilayer…
We study the edge magnetization of bilayer graphene ribbons with zigzag edges. The presence of flat edge-state bands at the Fermi energy of undoped bilayer, which gives rise to a strong peak in the density of states, makes bilayer ribbons…
Rhombohedral graphene multilayers host various broken-symmetry metallic phases as well as superconductors whose pairing mechanism and order parameter symmetry remain unsettled. Strikingly, experiments have revealed prominent new…
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…
We study the electronic structure and magnetic properties of h-BN triangular clusters embedded in graphene supercells. We find that, depending on the sizes of the clusters and the graphene separation region between them, spin polarization…
The electronic properties of bilayer graphene strongly depend on relative orientation of the two atomic lattices. Whereas Bernal-stacked graphene is most commonly studied, a rotational mismatch between layers opens up a whole new field of…
The eigen energy and the conductivity of a graphene sheet subject to a one-dimensional cosinusoidal potential and in the presence of a magnetic field are calculated. Such a graphene superlattice presents three distinct magnetic miniband…
Motivated by recent experimental observations of correlated metallic phases and superconductivity in rhombohedral trilayer graphene (RTG), we perform an unbiased study of electronic ordering instabilities in hole-doped RTG. Specifically, we…
Using a first principles density functional electronic structure method, we study the energy gaps and magnetism in bilayer graphene nanoribbons as a function of the ribbon width and the strength of an external electric field between the…
The electronic and magnetic properties of varying width, oxygen-functionalized armchair graphene nanoribbons (AGNRs) are investigated using first-principles density functional theory (DFT). Our study shows that O-passivation results in a…
We explore the magnetic properties of a two-dimensional Hubbard model on an inhomogeneous square lattice, which provides a platform for tuning the bandwidth of the flat band. In its limit, this inhomogeneous square lattice turns into a Lieb…