相关论文: Ab-initio band structure of doped graphene

We present an {\it ab initio} many-body GW calculation of the self-energy, the quasiparticle band plot and the spectral functions in free-standing undoped graphene. With respect to other approaches, we numerically take into account the full…

Effect of doping of graphene either by Boron (B), Nitrogen (N) or co-doped by B and N is studied using density functional theory. Our extensive band structure and density of states calculations indicate that upon doping by N (electron…

In this work we study theoretically the electronic properties of a sheet of graphene grown on a periodic heterostructure substrate. We write an effective Dirac equation, which includes a dependence of both the band gap and the Fermi…

Dispersionless energy bands are a peculiar property gathering increasing attention for the emergence of novel photonic, magnetic and electronic properties. Here we report the first observation of a graphene superstructure n-doped up to the…

We obtain the quasiparticle band structure of ABA and ABC-stacked graphene trilayers through ab initio density functional theory (DFT) and many-body quasiparticle calculations within the GW approximation. To interpret our results, we fit…

We study the renormalization of the Fermi velocity by the long-range Coulomb interactions between the charge carriers in the Dirac-cone approximation for the effective low-energy description of the electronic excitations in graphene at half…

Ab-initio calculations have been performed to study the geometry and electronic structure of boron (B) and nitrogen (N) doped graphene sheet. The effect of doping has been investigated by varying the concentrations of dopants from 2 % (one…

Heavily doping graphene by intercalation can raise its Fermi level near an extended van Hove singularity, potentially inducing correlated electronic phases. Intercalation also modifies the band structure: dopants may hybridize with carbon…

Flat bands play an important role in the study of strongly correlated phenomena, such as ferromagnetism, superconductivity, and fractional quantum Hall effect. Here we report direct experimental evidence for the presence of flat bands,…

Graphene is an ideal platform to study many-body effects due to its semimetallic character and the possibility to dope it over a wide range. Here we study the width of graphene's occupied $\pi$-band as a function of doping using…

We simulate the optical and electrical responses in gallium-doped graphene. Using density functional theory with a local density approximation, we simlutate the electronic band structure and show the effects of impurity doping (0-3.91\%) in…

This manuscript presents the general approach to the understanding of the connection between bonding mechanism and electronic structure of graphene on metals. To demonstrate its validity, two limiting cases of the "weakly" and "strongly"…

Motivated by a number of recent experimental studies, we have carried out the microscopic calculation of the quasiparticle self-energy and spectral function in a doped graphene when a symmetry breaking of the sublattices is occurred. Our…

We calculate the quasiparticle properties of chiral two-dimensional Dirac electrons in graphene within the Landau Fermi Liquid scheme based on $GW$ approximation in the presence of disorder. Disorder effects due to charged impurity…

BN domains are easy to form in the basal plane of graphene due to phase separation. With first-principles DFT calculations, it is demonstrated theoretically that the band gap of graphene can be opened effectively around K (or K') points by…

We present a first-principles investigation of the phonon-induced electron self-energy in graphene. The energy dependence of the self-energy reflects the peculiar linear bandstructure of graphene and deviates substantially from the usual…

We study the band dispersion of graphene with randomly distributed structural defects using two complementary methods, exact diagonalization of the tight-binding Hamiltonian and implementing a self-consistent T matrix approximation. We…

We evaluate the stopping and image forces on a charged particle moving parallel to a doped sheet of graphene by using the dielectric response formalism for graphene's $\pi$-electron bands in the random phase approximation (RPA). The forces…

We investigate the evolution of the Raman spectrum of defected graphene as a function of doping. Polymer electrolyte gating allows us to move the Fermi level up to 0.7eV, as monitored by \textit{in-situ} Hall-effect measurements. For a…

We perform a detailed analysis of electronic polarizability of graphene with different theoretical approaches. From Kubo's linear response formalism, we give a general expression of frequency and wave-vector dependent polarizability within…