Related papers: Doping driven metal-insulator transition in disord…
We show numerically that the nature of the doping induced metal-insulator transition in the two-dimensional Hubbard model is radically altered by the inclusion of a term, $W$, which depends upon a square of a single-particle…
The capability to control the type and amount of charge carriers in a material and, in the extreme case, the transition from metal to insulator is one of the key challenges of modern electronics. By employing angle resolved photoemission…
We study the Holstein-Double Exchange model in three dimensions in the presence of substitutional disorder. Using a new Monte Carlo technique we establish the phase diagram of the clean model and then focus on the effect of varying…
We investigate the effect of lattice disorder and local correlation effects in finite and periodic silicene structures caused by carbon doping using first-principles calculations. For both finite and periodic silicene structures, the…
The effect of weak potential and bond disorder on the density of states of graphene is studied. By comparing the self-consistent non-crossing approximation on the honeycomb lattice with perturbation theory on the Dirac fermions, we…
The pressure-induced structural transition from graphite to diamond is investigated by semi-empirical molecular dynamics simulation. The result shows that the graphite-diamond transition is a cooperative process with large fluctuation. We…
A powerful new impurity solver is shown to permit a systematic study of the doping driven Mott transition in a one-band Hubbard model within the framework of single-site dynamical mean field theory. At small dopings and large interaction…
Transport in disordered armchair graphene nanoribbons (AGR) with long-range correlation between quantum wire contact is investigated by transfer matrix combined with Landauer's formula. Metal-insulator transition is induced by disorder in…
Creating heterostructures with graphene/graphite is a practical method for charge-doping $\alpha$-RuCl$_3$, but not sufficient to cause the insulator-to-metal transition. In this study, detailed scanning tunneling microscopy/spectroscopy…
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…
We propose a two-orbital Hubbard model on an emergent honeycomb lattice to describe the low-energy physics of twisted bilayer graphene. Our model provides a theoretical basis for studying metal-insulator transition, Landau level degeneracy…
In this work, we present an investigation regarding how and why molecular hydrogen changes the electronic properties of graphene field effect transistors. We demonstrate that interaction with H2 leads to local doping of graphene near of the…
The experimentally observed metal-to-insulator transition in hydrogenated graphene is numerically confirmed for actual sized graphene samples and realistic impurity concentrations. The eigenstates of our tight-binding model with…
We study the transition from ballistic to diffusive and localized transport in graphene nanoribbons in the presence of binary disorder, which can be generated by chemical adsorbates or substitutional doping. We show that the interplay…
Experiments on layered materials call for a study of the influence of short-range spin correlations on the Mott transition. To this end, we solve the cluster dynamical mean-field equations for the Hubbard model on a plaquette with…
The thermodynamic, kinetic and magnetic properties of the hydrogen monomer on doped graphene layers were studied by ab initio simulations. Electron doping was found to heighten the diffusion potential barrier, while hole doping lowers it.…
Graphene and carbon nanotubes have extraordinary mechanical and electronic properties. Intrinsic line defects such as local non-hexagonal reconstructions or grain boundaries, however, significantly reduce the tensile strength, but feature…
The optical properties have been studied using the dynamical mean-field theory (DMFT) on a disordered Hubbard model. Despite the fact that disorder turns a metal to an insulator in high dimensional correlated materials, we notice that it…
We use the Kotliar-Ruckenstein slave boson technique to treat the strong correlation of the Hubbard model. In a first part we discuss the metal to insulator transition that is occurring on the honeycomb lattice at half filling. We find the…
We investigate the doping-driven metal-insulator transition of the (2+1)-dimensional Hubbard model in the path-integral formalism with the tensor renormalization group method. We calculate the electron density $\langle n\rangle$ as a…