Related papers: A REBO-potential-based model for graphene bending …
We show that a dilute ensemble of epoxy-bonded adatoms on graphene has a tendency to form a spatially correlated state accompanied by a gap in graphene's electron spectrum. This effect emerges from the electron-mediated interaction between…
We study the atomistic-to-continuum limit of a class of energy functionals for crystalline materials via Gamma-convergence. We consider energy densities that may depend on interactions between all points of the lattice and we give…
Conversion of electric current into heat involves microscopic processes that operate on nanometer length-scales and release minute amounts of power. While central to our understanding of the electrical properties of materials, individual…
A quantum mechanical model of two interacting electrons in graphene is considered. We concentrate on the case of zero total momentum of the pair. We show that the dynamics of the system is very unusual. Both stationary and time-dependent…
We study the effect exerted by the electrons on the flexural phonons in graphene, accounting for the attractive interaction created by the exchange of electron-hole excitations. Combining the self-consistent computation of the phonon…
We present the interatomic force constants and phonon dispersions of graphite and graphene from the LCBOPII empirical bond order potential. We find a good agreement with experimental results, particularly in comparison to other bond order…
We introduce a different perspective describing electron-phonon interactions in graphene based on curved space hydrodynamics. Interactions of phonons with charge carriers increase the electrical resistivity of the material. Our approach…
A free boundary problem arising from materials science is studied in one-dimensional case. The problem studied here is an obstacle problem for the non-convex energy consisting of a bending energy, tension and an adhesion energy. If the…
We develop a microscopic large-$N$ theory of electron-electron interaction corrections to multi-legged Feynman diagrams describing second- and third-order nonlinear response functions. Our theory, which reduces to the well-known random…
Quantum graphity is a background independent model for emergent locality, spatial geometry and matter. The states of the system correspond to dynamical graphs on N vertices. At high energy, the graph describing the system is highly…
Phonon dispersions generically display non-analytic points, known as Kohn anomalies, due to electron-phonon interactions. We analyze this phenomenon for a zone boundary phonon in undoped graphene. When electron-electron interactions with…
We describe how to apply the recursive Green's function method to the computation of electronic transport properties of graphene sheets and nanoribbons in the linear response regime. This method allows for an amenable inclusion of several…
We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially)…
The smearing of the graphene/graphane interface due to the thermally activated migration of hydrogen atoms is studied by the molecular dynamics method. Contrary to expectations, it is found that the fast spontaneous regeneration of this…
An analysis of electron transport in graphene is presented in the presence of various arrangement of delta-function like magnetic barriers. The motion through one such barrier gives an unusual non specular refraction leading to asymmetric…
Metal/graphene interfaces generated by electrode deposition induce barriers or potential modulations influencing the electronic transport properties of graphene based devices. However, their impact on the local mechanical properties of…
We studied the interaction between a single hydrogen atom and a single graphene using classical molecular dynamics simulation with modified Brenner REBO potential. Three interactions, which are adsorption, reflection, penetration, were…
We prove a \(\Gamma\)-convergence result for a diffeomorphism-natural discrete MDL-type functional to the Einstein-Hilbert action with the Gibbons-Hawking-York boundary term. On boundary-fitted, shape-regular meshes we establish interior…
We theoretically investigate the effects of Coulomb interaction, at the level of unscreened Hartree-Fock approximation, on third harmonic generation of undoped graphene in an equation of motion framework. The unperturbed electronic states…
We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the $\pi$-orbitals of the sp$^2$-hybridized carbon atoms and reproduces the two highest valence bands. By…