Related papers: Silicene Beyond Mono-layers - Different Stacking C…
In this paper, we analytically investigate the electronic structure of Bernal stacking (AB stacking) graphene evolving from monolayer (a zero-gap semiconductor with a linear Dirac-like spectrum around the Fermi energy) to multi-layer…
Herein, we performed first principle calculation and classical molecular dynamics simulation to study structural optimization, band structure, and mechanical properties of differently stacked multilayer silicene. Several local energy minima…
The geometric, electronic and magnetic properties of silicene-related systems present the diversified phenomena through the first-principles calculations. The critical factors, the group-IV monoelements, buckled/planar structures, stacking…
Different stacking sequences of graphene are investigated using a combination of experimental and theoretical methods. The high-resolution transmission electron microscopy (HRTEM) of the stacking sequence of several layers of graphene,…
Graphene layers are known to stack in two stable configurations, namely ABA or ABC stacking, with drastically distinct electronic properties. Unlike the ABA stacking, little has been done to experimentally investigate the electronic…
Small-twist-angle bilayer graphene supports strongly correlated insulating states and superconductivity. Twisted few-layer graphene systems are likely to open up new directions for strong correlation physics in moir\'e superlattices. We…
The structure optimization, phonon, and ab initio finite temperature molecular dynamics calculations have been performed to predict that bilayer silicene has stable structure with AB stacking geometry and is more favorable energetically to…
Silicene, the silicon equivalent of graphene, is attracting increasing scientific and technological attention in view of the exploitation of its exotic electronic properties. This novel material has been theoretically predicted to exist as…
Twisted double bilayer graphene has recently emerged as an interesting moir\'e material that exhibits strong correlation phenomena that are tunable by an applied electric field. Here we study the atomic and electronic properties of three…
Graphene, defined as a single atomic plane of graphite, is a semimetal with small overlap between the valence and the conduction bands. The stacking of graphene up to several atomic layers can produce diverse physical properties, depending…
Electronic properties of bilayer and multilayer graphene have generally been interpreted in terms of AB or Bernal stacking. However, it is known that many types of stacking defects can occur in natural and synthetic graphite; rotation of…
We report on total-energy electronic structure calculations in the density-functional theory performed for the ultra-thin atomic layers of Si on Ag(111) surfaces. We find several distinct stable silicene structures:…
The available synthesized silicene-like structures have been only realized on metallic substrates which are very different from the standalone buckled silicene, e.g. the Dirac cone of silicene is destroyed due to lattice distortion and the…
$\alpha$-graphyne is a two-dimensional sheet of $sp$-$sp^2$ hybridized carbon atoms in a honeycomb lattice. While the geometrical structure is similar to that of graphene, the hybridized triple bonds give rise to electronic structure that…
Graphene multilayers exhibit electronic spectra that depend sensitively on both the number of layers and their stacking order. Beyond trilayer graphene, mixed stacking sequences (alternating Bernal and rhombohedral layers) give rise to…
We review all symmetry-allowed spin-singlet and spin-triplet superconducting (SC) order parameters in graphene ($s$-wave, $d$-wave, $p$-wave, and $f$-wave) generated by generic onsite, nearest-neighbor (NN), and next-to-nearest-neighbor…
Multi-layer graphene on the carbon face of silicon carbide is an intriguing electronic system which typically consists of a stack of ten or more layers. Rotational stacking faults in this system dramatically reduce inter-layer coherence. In…
In this work, we report our results on the geometric and electronic properties of hybrid graphite-like structure made up of silicene and boron nitride (BN) layers. We predict from our calculations that this hybrid bulk system, with…
The Seebeck coefficient in multilayer graphene is investigated within the density-functional theory, using the semiclassical Boltzmann equations and interpolating the bands in a maximally-localized Wannier functions basis set. We compare…
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…