Related papers: New Phases of Germanene
Hydrogenated graphene edges are assumed to be either armchair, zigzag or a combination of the two. We show that the zigzag is not the most stable fully hydrogenated structure along the <2-1-10> direction. Instead hydrogenated Klein and…
We propose a new allotrope of graphane, named as tricycle graphane,with a 4up/2down UUUDUD hydrogenation in each hexagonal carbon ring,which is different from previously proposed allotropes with UUDUUD(boat-1) and UUUUDD (boat-2) types of…
Bosonic atoms deposited on atomically thin substrates represent a playground for exotic quantum many-body physics due to the highly-tunable, atomic-scale nature of the interaction potentials. The ability to engineer strong interparticle…
The extraordinary electronic properties of graphene, such as its continuously gate-variable ambipolar field effect and the resulting steep change in resistivity, provided the main thrusts for the rapid advance of graphene electronics. The…
Conventional three-dimensional crystal lattices are terminated by surfaces, which can demonstrate complex rebonding and rehybridisation, localised strain and dislocation formation. Two dimensional crystal lattices, of which graphene is the…
The optical absorption properties of graphene wrapped dielectric particles have been investigated by using Mie scattering theory and exact multi-scattering method. It is shown that subwavelength strong absorption in infrared spectra can…
We study formation of the nanowires formed after deposition of Pt on a Ge(001) surface. The nanowires form spontaneously after high temperature annealing. They are thermodynamically stable, only one atom wide and up to a few hundred atoms…
The electronic structure of pentacene decorated with dipole groups (d-pentacene) and adsorbed onto a graphene substrate has been studied within the density functional theory. Three reference configurations have been considered, namely the…
We have performed a density functional study of graphene adsorbed on Au(111) surface using both a local density approximation and a semiempirical van der Waals approach proposed by Grimme, known as the DFT-D2 method. Graphene physisorbed on…
The structural, electronic, and magnetic properties of 3$d$ transition metal (TM) atoms (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) adsorbed germanene are addressed using density functional theory. Based on the adsorption energy, TM atoms…
Compressed hydrogen passes through a series of layered structures in which the layers can be viewed as distorted graphene sheets. The electronic structures of these layered structures can be understood by studying simple model systems- an…
Graphene bilayer systems are known to exhibit a band gap when the layer symmetry is broken, by applying a perpendicular electric field. The resulting band structure resembles that of a conventional semiconductor with a parabolic dispersion.…
Graphene-based materials (GBMs) constitute a large family of materials which has attracted great interest for potential applications. In this work, we apply first-principles calculations based on density functional theory (DFT) and fully…
Path-integral Monte Carlo calculations have been performed to study the $^4$He adsorption on $\gamma$-graphyne, a planar network of benzene rings connected by acetylene bonds. Assuming the $^4$He-substrate interaction described by a…
We consider a modified graphene model under exchange couplings. Various quantum anomalous phases are known to emerge under uniform or staggered exchange couplings. We introduce the twist between the orientations of two sublattice exchange…
In spite of years of intense research, graphene continues to produce surprising results. Recently, it was experimentally observed that under certain conditions graphene can self-drive its tearing and peeling from substrates. This process…
Orbital magnetism is studied for graphene flakes with various shapes and edge configurations using the tight-binding approximation. In the low-temperature regime where the thermal energy is much smaller than to the energy level spacing, the…
This work describes the development of a third-generation charge optimized many-body (COMB3) potential for Al-C and its application to the investigation of aluminum/graphene nanostructures. In particular, the new COMB3 potential was used to…
We demonstrate that an undoped two-dimensional carbon plane (graphene) whose bulk is in the integer quantum Hall regime supports a non-chiral Luttinger liquid at an armchair edge. This behavior arises due to the unusual dispersion of the…
An exact mapping of the tight-binding Hamiltonian for a graphene's nanoribbon under any armchair uniaxial strain into an effective one-dimensional system is presented. As an application, for a periodic modulation we have found a gap opening…