相关论文: Borophane: Stable Two-dimensional Anisotropic Dira…

Using density functional theory combined with a semi-empirical van der Waals dispersion correction, we have investigated the stability of lattice defects including boron vacancy, substitutional and interstitial X (X=H, C, B, N, O) and…

Fast-growing electronics industry and future energy storage needs have encouraged the design of rechargeable batteries with higher storage capacities, and longer life times. In this regard, two-dimensional (2D) materials, specifically boron…

Experiments have confirmed that double monolayer graphene cannot generate finite temperature electron-hole superfluidity. This has been shown to be due to very strong screening of the electron-hole pairing attraction. The linear dispersing…

We report first-principles calculations that clarify stability and electronic structures of silicene on Ag(111) surfaces. We find that several stable structures exist for silicene/Ag(111), exhibiting a variety of images of scanning…

We study the existence and topological stability of Fermi points in a graphene layer and stacks with many layers. We show that the discrete symmetries (spacetime inversion) stabilize the Fermi points in monolayer, bilayer and multilayer…

We show that multiple layered Dirac cones can emerge in the band structure of properly addressed multicomponent cold fermionic gases in optical lattices. The layered Dirac cones contain multiple copies of massless spin-1/2 Dirac fermions at…

Two-dimensional systems have strengthened their position as one of the key materials for novel applications. Very recently, boron joined the distinguished group of elements that are confirmed to possess 2D allotropes, named borophenes. In…

In this work we study theoretically the electronic properties of a sheet of graphene grown on a periodic heterostructure substrate. We write an effective Dirac equation, which includes a dependence of both the band gap and the Fermi…

We propose a new family of two-dimensional (2D) metal-borocarbide clathrane superconductors, derived from three-dimensional (3D) MM$^\prime$B$_6$C$_6$ clathrates. First-principles calculations reveal that hydrogen passivation and surface…

We explore the emergence of phonon-mediated superconductivity in bilayer borophenes by controlled intercalation with elements from the groups of alkali, alkaline-earth, and transition metals, using systematic first-principles and Eliashberg…

Materials harboring exotic quasiparticles, such as Dirac and Weyl fermions\cite{xu2015discovery,borisenko2015time,weng2015weyl,xu2015observation}, have garnered much attention from the physics and material science communities. These…

We show that previously measured small Fermi surface pockets within the antiferromagnetic phase of SrFe2As2 and BaFe2As2 are consistent with a Dirac dispersion modulated by interlayer hopping, giving rise to a Dirac point in k-space and a…

Two-dimensional (2D) materials, composed of single atomic layers, have attracted vast research interest since the breakthrough discovery of graphene. One major benefit of such systems is the simple ability to tune the chemical potential by…

The electronic and magnetic properties of pristine CrPSe$_3$ and mixed Cr$_{1\textrm{-}x}$M$_x$PSe$_3$ (M = Zn, Cd, Hg) monolayers were studied using density functional theory including an on-site Coulomb term (DFT$+U$) and tight-binding…

The interplay of graphene and superconductivity has attracted great interest for understanding the two-dimensional Dirac Fermion physics and for superconducting device applications. In previous work, graphene-superconductor junctions…

In this paper, we report a new boron nitride molecular structure called BN-nanobelt, an inorganic analog of (12) cyclophenacene synthesized in 2017. An extensive investigation using Density Functional Theory (DFT) and Quantum Molecular…

Single layers of hexagonal two-dimensional nanostructures such as graphene, silicene, and germanene exhibit large carrier Fermi velocities and, consequently, large light-matter coupling strength making these materials promising elements for…

Based on first-principles calculations, we propose that a layered electride Mg2O can serve as an effective substrate, in place of metal substrate, to grow honeycomb borophene (h-borophene). We first confirm the thermodynamic stability of…

We use density functional theory based first-principles method to investigate the bandstructure and phase stability in the laterally grown hexagonal C$_x$(BN)$_{1-x}$, two-dimensional Graphene and $h$-BN hybrid nanomaterials, which were…

Superconductivity becomes more interesting when it encounters dimensional constraint or topology, because it is of importance for exploring exotic quantum phenomena or developing superconducting electronics. Here we report the coexistence…