相关论文: Spontaneous antiferromagnetic order and strain eff…
We report first-principles calculations on antiferromagnetic spin ordering in graphene under biaxial strain. Using hybrid functional calculations, we found that semimetallic graphene sheets undergo a transition to antiferromagnetic…
The effect of strain on the magnetic order and band structure of single-layer CrAsS$_4$ has been investigated by first-principles calculations based on density functional theory. We found that single-layer CrAsS$_4$ was an antiferromagnetic…
ABC-stacked multilayer graphene (ABC-MLG) exhibits topological surface flat bands with a divergent density of states, leading to many-body instabilities at charge neutrality. Here, we explore electronic ordering within a mean-field approach…
In the present paper, we describe the antiferromagnetic and excitonic correlations in the AA-stacked bilayer graphene. We consider the applied external electric field potential to the structure which leads to the electronic charge imbalance…
Twisted graphene bilayers develop highly localised states around AA-stacked regions for small twist angles. We show that interaction effects may induce either an antiferromagnetic (AF) and a ferromagnetic (F) polarization of said regions,…
The paper presents a computational study of the ground-state magnetic phases of a selected bilayer graphene nanoflake in external electric field and magnetic field. The electric field has parallel and perpendicular component while the…
We investigate the effect of an applied uniaxial strain on the ferromagnetic instability due to long- range Coulomb interaction between Dirac fermions in graphene. In case of undeformed graphene the ferromagnetic exchange instability occurs…
Superconductivity in single-layer graphene has attracted considerable interest. Here, using the determinant quantum Monte Carlo method, we study transitions of superconductivity and magnetism in a monolayer graphene with a special periodic…
The effect of strain in graphene is usually modeled by a pseudo-magnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance,…
The interaction between a graphene layer and a hexagonal Boron Nitride (hBN) substrate induces lateral displacements and strains in the graphene layer. The displacements lead to the appearance of commensurate regions and the existence of an…
We study the effects of the electron-electron interactions on the excitonic properties and charge-density modulations in the AB stacked double-layer (DL) graphene, placed in the external gate-potential $V$. The coexistence of the canted…
We study the electronic structure and topological properties of monolayer and ABC-stacked multilayer of graphyne-$N$, which are a family of planar carbon sheets consisting of $sp$ and $sp_2$-bonding. By using the density-functional theory…
We study the effects that ripples induce on the electrical and magnetic properties of graphene. The variation of the interatomic distance created by the ripples translates in a modulation of the hopping parameter between carbon atoms. A…
The nature of the insulating and superconducting states in twisted bilayer graphene systems is intensely debated. While many works seek for explanations in the few flat bands near the Fermi level, theory and a number of experiments suggest…
The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals…
Density-functional theory calculations with spin-polarized generalized gradient approximation and Hubbard $U$ correction is carried out to investigate the mechanical, structural, electronic and magnetic properties of graphitic heptazine…
In this study, we consider a two-layer graphene structure stacked in the AA form and exposed to the influence of two different electric fields applied to different layers. The graphene layers are also subjected to an external magnetic field…
The electronic properties of a triaxially strained hexagonal graphene flake with either armchair or zig-zag edges are investigated using molecular dynamics simulations and tight-binding calculations. We found that: i) the pseudo-magnetic…
The interaction between two different materials can present novel phenomena that are quite different from the physical properties observed when each material stands alone. Strong electronic correlations, such as magnetism and…
Among many remarkable qualities of graphene, its electronic properties attract particular interest due to a massless chiral character of charge carriers, which leads to such unusual phenomena as metallic conductivity in the limit of no…