Related papers: Aluminene as Highly Hole Doped Graphene
In the present paper, we investigate the structural, thermodynamic, dynamic, elastic, and electronic properties of doped 2D diamond C$_4$X$_2$ (X = B or N) nanosheets in both AA$'$A$''$ and ABC stacking configurations, by first-principles…
Graphene was the first material predicted to be a time-reversal-invariant topological insulator; however, the insulating gap is immeasurably small owing to the weakness of spin-orbit interactions in graphene. A recent experiment [1]…
We present a new way of nano-engineering graphene using defect domains. These regions have ring structures that depart from the usual honeycomb lattice, though each carbon atom still has three nearest neighbors. A set of stable domain…
Since the emergence of monolayer graphene as a promising two-dimensional material, many other monolayer and few-layer materials have been investigated extensively. An experimental study of few-layer Si2Te3 was recently reported, showing…
Recently, a honeycomb borophene was reported to grow successfully on Al(111) surface. Since the metallic $\sigma$-bonding bands of honeycomb boron sheet play a crucial role in the 39 K superconductivity of MgB$_2$, it is physically…
The methane-based material (H$_2$)$_4$CH$_4$, also called H4M for short, is in essence a methane molecule with 4 physisorbed H$_2$ molecules. While H4M has exceptionally high hydrogen storage densities when it forms a molecular solid,…
Bulk amorphous materials have been studied extensively and are widely used, yet their atomic arrangement remains an open issue. Although they are generally believed to be Zachariasen continuous random networks, recent experimental evidence…
Elemental monolayers of the group 14 with a buckled honeycomb structure, namely silicene, germanene, stanene, and plumbene, are known to demonstrate a spin splitting as a result of an electric field parallel to their high symmetry axis…
We study the growth and microscopic structure of large-area graphene monolayers, grown on copper single crystals by chemical vapor deposition (CVD) in ultra-high vacuum (UHV). Using atomic-resolution scanning tunneling microscopy (STM), we…
The stability and electronic structure of a single monatomic Al wire has been studied using the ab initio pseudopotential method. The Al wire undergoes two structural rearrangements under compression, i.e., zigzag configurations at angles…
Antimony shows promise as a two-dimensional (2D) mono-elemental crystal, referred to as antimonene. When exposed to ambient conditions, antimonene layers react with oxygen, forming new crystal structures, leading significant changes in…
Two-dimensional systems with flat bands support correlated phases such as superconductivity and charge fractionalization. While twisted moire systems like twisted bilayer graphene have revealed such states, they remain complex to control.…
It is shown that phagraphene, a recently predicted planar allotrope of graphene with Dirac fermions, is unstable or, at least, almost unstable with respect to transverse atomic displacements. This result is obtained by numerical…
The discovery of monolayer graphene has initiated two fertile fields in modern condensed matter physics, Dirac semimetals and atomically-thin layered materials. When these trends meet again in transition metal compounds, which possess spin…
We carry out a computational study on the geometric and electronic properties of multi-layers of silicene in different stacking configurations using a state-of-art abinitio density functional theory based calculations. In this work we…
The electronic transport properties of graphene-based superlattice structures are investigated. A graphene-based modulation-doped superlattice structure geometry is proposed and consist of periodically arranged alternate layers:…
We report on the structures of aluminum hydrides derived from a tetrahedral aluminum Al4 cluster using ab initio quantum chemical calculation. Our calculation of binding energies of the aluminum hydrides reveals that stability of these…
This study of elastic and plastic deformation of graphene, silicene, and boron nitride (BN) honeycomb nanoribbons under uniaxial tension determines their elastic constants and reveals interesting features. In the course of stretching in the…
Since the rising of graphene, boron nitride monolayers have been deeply studied due to their structural similarity with the former. A hexagonal graphene-like boron-carbon-nitrogen (h-BCN) monolayer was synthesized recently using bis-BN…
The deposition of dielectric materials on graphene is one of the bottlenecks for unlocking the potential of graphene in electronic applications. In this paper we demonstrate the plasma enhanced atomic layer deposition of 10 nm thin high…