Related papers: Spin coupling around a carbon atom vacancy in grap…
Each single hydrogen vacancy created at the surface of graphane gives rise to a local unpaired spin. For domains of hydrogen vacancies the situation is, however complex and depends on the size and geometry of domains, as well as whether the…
Atomic vacancies have a strong impact in the mechanical, electronic and magnetic properties of graphene-like materials. By artificially generating isolated vacancies on a graphite surface and measuring their local density of states on the…
We study theoretically many-body properties of magic-angle twisted bilayer graphene for different doping levels. Our investigation is focused on the emergence, stability, and manifestations of nematicity of the ordered low-temperature…
We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d transition metal, noble metal and Zn atoms interacting with carbon monovacancies in graphene. We pay special…
Recent experiments indicate room-temperature ferromagnetism in graphite-like materials. This paper offers multiple spin state analysis applied to asymmetric graphene molecule to find out mechanism of ferromagnetic nature. First principle…
Electrons in atoms possess both spin and orbital degrees of freedom. In non-relativistic quantum mechanics, these are independent, resulting in large degeneracies in atomic spectra. However, relativistic effects couple the spin and orbital…
Spin-orbit coupling (SOC) can provide essential tools to manipulate electron spins in two-dimensional materials like graphene, which is of great interest for both fundamental physics and spintronics application. In this paper, we report the…
We analytically calculate the nuclear-spin interactions of a single electron confined to a carbon nanotube or graphene quantum dot. While the conduction-band states in graphene are p-type, the accordant states in a carbon nanotube are…
Recent experiments indicate room-temperature ferromagnetism in graphite like materials. This paper offers an multiple spin state analysis to find out the origine of ferromagnetism in case of nano meter size graphene molecule.First principle…
The electronic structure in the vicinity of the 1-heptagonal and 1-pentagonal defects in the carbon graphene plane is investigated. Using a continuum gauge field-theory model the local density of states around the Fermi energy is calculated…
Motivated by recent experiments of successfully carving out stable carbon atomic chains from graphene, we investigate a device structure of a carbon chain connecting two zigzag graphene nanoribbons with highly tunable spin-dependent…
We present an ab initio study on the structural and electronic distortions of modified graphene by creation of vacancies, inclusion of boron atoms, and the coexistence of both, by means of thermodynamics and band structure calculations. In…
Theory of spin-orbit coupling in bilayer graphene is presented. The electronic band structure of the AB bilayer in the presence of spin-orbit coupling and a transverse electric field is calculated from first-principles using the linearized…
Pseudo-magnetic field becomes an experimental reality after the observation of zero-field Landau level-like quantization in strained graphene, but it is not expected that the time-reversal symmetric pseudo-magnetic fields will have any…
A continuum model for the effective spin orbit interaction in graphene is derived from a tight-binding model which includes the $\pi$ and $\sigma$ bands. We analyze the combined effects of the intra-atomic spin-orbit coupling, curvature,…
Graphene can develop large magnetic moments in custom crafted open-shell nanostructures such as triangulene, a triangular piece of graphene with zigzag edges. Current methods of engineering graphene nano-systems on surfaces succeeded in…
In 2005 Kane & Mele[C. L. Kane and E. J. Mele, Phys. Rev. Lett. 95, 226801 (2005)], predicted that at sufficiently low energy, graphene exhibits a topological state of matter with an energy gap generated by the atomic spin-orbit…
We propose a generalized Dirac fermion description for the electronic state of graphene terminated by a zigzag edge. This description admits a spin-orbit coupling needed to preserve time-reversal invariance of the zigzag confinement,…
The electronic states occurring in a double vacancy defect for graphene nanoribbons have been calculated in detail based on a pyrene model. Extended ab initio calculations using the MR configuration interaction (MRCI) method have been…
We consider the problem of electron energy states related to strongly localized potential of a single impurity in graphene. Our model simulates the effect of impurity atom substituting the atom of carbon, on the energy spectrum of electrons…