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The revealing properties of transition metal (T)-doped graphene systems are investigated with the use of the first-principles method. The detailed calculations cover the bond length, position and height of adatoms, binding energy,…

Materials Science · Physics 2019-05-06 Ngoc Thanh Thuy Tran , Duy Khanh Nguyen , Shih-Yang Lin , Godfrey Gumbs , Ming Fa-Lin

Resonant scattering at the atomic absorbates in graphene was investigated recently in relation with the transport and gap opening problems. Attaching an impurity atom to graphene is believed to lead to the creation of unusual zero energy…

Mesoscale and Nanoscale Physics · Physics 2015-04-23 P. G. Silvestrov

A study of possible superconducting phases of graphene has been constructed in detail. A realistic tight binding model, fit to ab initio calculations, accounts for the Li-decoration of graphene with broken lattice symmetry, and includes $s$…

Superconductivity · Physics 2018-09-20 Rouhollah Gholami , Rostam Moradian , Sina Moradian , Warren E. Pickett

The magnetic properties of zig-zag graphene nanoflakes (ZGNF) are investigated within the framework of the dynamical mean-field theory. At half-filling and for realistic values of the local interaction, the ZGNF is in a fully compensated…

Strongly Correlated Electrons · Physics 2016-12-30 A. Valli , A. Amaricci , A. Toschi , T. Saha-Dasgupta , K. Held , M. Capone

Interactions between stacked two-dimensional (2D) atomic crystals can radically change their properties, leading to essentially new materials in terms of the electronic structure. Here we show that monolayers placed on an atomically flat…

Resonant graphene dopants, such as hydrogen adatoms, experience long-range effective interaction mediated by conduction electrons. As a result of this interaction, when several adatoms are present in the sample, hopping of adatoms between…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Justin Talbot , Stephan LeBohec , Eugene Mishchenko

Hydrogen adatoms on graphene are investigated using DFT and analytical approaches. We demonstrate that the level of lattice deformation due to the hydrogen adsorption does not substantially change the coupling between the graphene $p_{z}$…

Materials Science · Physics 2020-11-18 Keian Noori , Su Ying Quek , Aleksandr Rodin

Magnetic confinement in graphene has been of recent and growing interest because its potential applications in nanotechnology. In particular, the observation of the so called magnetic edge states in graphene has opened the possibility to…

Mesoscale and Nanoscale Physics · Physics 2010-08-31 Gabriela Murguia

The dynamic conductivity \sigma(\omega) of graphene in the presence of diagonal white noise disorder and quantizing magnetic field B is calculated. We obtain analytic expressions for \sigma(\omega) in various parametric regimes ranging from…

Mesoscale and Nanoscale Physics · Physics 2013-06-04 U. Briskot , I. A. Dmitriev , A. D. Mirlin

Adsorbates can drastically alter physical properties of graphene. Particularly important are adatoms and admolecules that induce resonances at the Dirac point. Such resonances limit electron mobilities and spin relaxation times. We present…

Mesoscale and Nanoscale Physics · Physics 2019-01-30 Jeongsu Lee , Denis Kochan , Jaroslav Fabian

The naturally weak spin-orbit coupling in Graphene can be largely enhanced by adatom deposition (e.g. Weeks et al. Phys. Rev. X 1, 021001 (2011)). However, the dynamics of the adatoms also induces a coupling between phonons and the electron…

Mesoscale and Nanoscale Physics · Physics 2015-07-29 Jhih-Shih You , Daw-Wei Wang , Miguel A. Cazalilla

The recent experimental observations of designer Dirac Fermions and topological phases in molecular graphene are addressed theoretically. Using scattering theory we calculate the electronic structure of finite lattices of scattering centers…

Mesoscale and Nanoscale Physics · Physics 2013-12-18 H. Hammar , P. Berggren , J. Fransson

Graphene decorated with 5d transitional metal atoms is predicted to exhibit many intriguing properties; for example iridium adatoms are proposed to induce a substantial topological gap in graphene. We extensively investigated the…

Mesoscale and Nanoscale Physics · Physics 2016-04-18 Yilin Wang , Shudong Xiao , Xinghan Cai , Wenzhong Bao , Janice Reutt-Robey , Michael S. Fuhrer

We have studied magnetization of graphene nanocrystals obtained by sonic exfoliation of graphite. No ferromagnetism is detected at any temperature down to 2 K. Neither do we find strong paramagnetism expected due to the massive amount of…

Mesoscale and Nanoscale Physics · Physics 2010-11-24 M. Sepioni , R. R. Nair , S. Rablen , J. Narayanan , F. Tuna , R. Winpenny , A. K. Geim , I. V. Grigorieva

The electronic transport of monolayer graphene devices is studied before and after \emph{in situ} deposition of a sub-monolayer coating of osmium adatoms. Unexpectedly, and unlike all other metallic adatoms studied to date, osmium adatoms…

Mesoscale and Nanoscale Physics · Physics 2019-12-11 Jamie A. Elias , Erik A. Henriksen

Effects of annealing on chemical vapor deposited graphene are investigated via a weak localization magnetoresistance measurement. Annealing at \SI{300}{\celsius} in inert gases, a common cleaning procedure for graphene devices, is found to…

Mesoscale and Nanoscale Physics · Physics 2021-10-12 Hyungki Shin , Ebrahim Sajadi , Ali Khademi , Silvia Lüscher , Joshua A. Folk

We investigate magnetic instabilities in charge-neutral twisted bilayer graphene close to so-called "magic angles" using a combination of real-space Hartree-Fock and dynamical mean-field theories. In view of the large size of the unit cell…

Strongly Correlated Electrons · Physics 2021-12-08 Javad Vahedi , Robert Peters , Ahmed Missaoui , Andreas Honecker , Guy Trambly de Laissardière

Graphene is a monoatomic layer of graphite with Carbon atoms arranged in a two dimensional honeycomb lattice configuration. It has been known for more than sixty years that the electronic structure of graphene can be modelled by…

Mesoscale and Nanoscale Physics · Physics 2009-04-09 Jiannis K. Pachos

Two different points of view are available to understand the behavior of graphene at low energies. One is considering a large $N_F$ that makes graphene a semimetal, and another for small $N_F < 2.5$ that would make graphene a narrow gap…

Strongly Correlated Electrons · Physics 2011-10-18 N. García , P. Esquinazi , A. A. Pasa

We report a theoretical low-field magnetotransport study unveiling the effect of pseudospin in realistic models of weakly disordered graphene-based materials. Using an efficient Kubo computational method, and simulating the effect of…

Mesoscale and Nanoscale Physics · Physics 2016-03-11 Frank Ortmann , Alessandro Cresti , Gilles Montambaux , Stephan Roche