Related papers: Ab initio simulation of amorphous graphite
AA-stacked bilayer graphene supports Fermi circles in its bonding and antibonding bands which coincide exactly, leading to symmetry-breaking in the presence of electron-electron interactions. We analyze a continuum model of this system in…
In the substitutionally disordered narrow-gap semiconductor Pb_{1-x}Ge_xTe, a finite-temperature cubic-rhombohedral transition appears above a critical concentration $x \approx 0.005$. As a first step towards a first-principles…
Two sets of amorphous carbon materials prepared at different routes are irradiated with swift (145 MeV) heavy ion (Ne6+). The structural parameters like the size of ordered grains along c and a axis i.e. Lc & La, the average spacing of the…
In this note, we calculate the electronic properties of a realistic atomistic model of amorphous graphene. The model contains odd membered rings, particularly five and seven membered rings and no coordination defects. We show that…
Armchair graphene nanoribbons with different proportions of edge oxygen atoms are investigated by using crystal orbital method based on density functional theory. All the nanoribbons are energetically favorable, although buckled edges are…
Thermal decomposition of silicon carbide is a promising approach for the fabrication of graphene. However, the atomistic growth mechanism of graphene remains unclear. This paper describes the development of a new charge-transfer interatomic…
The simplest way to obtain thin carbon layers is to draw or rub with a graphite rod. During rubbing, forces of friction acting in graphite/substrate tribological system cause drastic changes in the structure of the interface stratum…
We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…
We report experimental results indicating possible high-temperature superconductivity in graphite intercalation compounds synthesized with lithium-based alloys. Temperature-dependent measurements of magnetization, trapped magnetic flux, and…
Ab initio density functional theory (DFT) simulations were used to investigate an influence of electric field, parallel to single and multilayer graphene on its electron dispersion relations close to K point. It was shown that for both…
Measurements of basal plane longitudinal rho_b(B) and Hall rho_H(B) resistivities were performed on highly oriented pyrolytic graphite (HOPG) samples in pulsed magnetic field up to B = 50 T applied perpendicular to graphene planes, and…
Recent experiments report the existence of ferromagnetic and superconducting fluctuations in graphite at unexpectedly high temperatures. The interplay of disorder and interactions in a 2D graphene layer is shown to give rise to a rich phase…
The phase diagrams and the nature of the phase transitions in multicomponent gauge theories with an Abelian gauge field are important topics with various physical applications. While an early renormalization-group-based study indicated that…
Ga$_2$O$_3$ and its polymorphs are attracting increasing attention. The rich structural space of polymorphic oxide systems such as Ga$_2$O$_3$ offers potential for electronic structure engineering, which is of particular interest for a…
Various electronic phases emerge when applying high magnetic fields in graphite. However, the origin of a semimetal-insulator transition at $B \simeq 30\; \textrm{T}$ is still not clear, while an exotic density-wave state is theoretically…
We investigate the electronic and optical properties of lateral heterostructures made of alternated armchair ribbons of graphene and hexagonal boron nitride. It is known that the gapwidth of these heterostructures can be classified into…
The occurrence of non-adiabatic effects in the vibrational properties of metals have been predicted since the 60's, but hardly confirmed experimentally. We report the first fully \emph{ab initio} calculations of non-adiabatic frequencies of…
The early stages of epitaxial graphene layer growth on the Si-terminated 6H-SiC(0001) are investigated by Auger electron spectroscopy (AES) and depolarized Raman spectroscopy. The selection of the depolarized component of the scattered…
Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse high tech fields. Many of these applications…
We investigate the charge transport properties of planar amorphous graphene that is fully topologically disordered, in the form of sp2 three-fold coordinated networks consisting of hexagonal rings, but also including many pentagons and…