Collective Modes of Massive Dirac Fermions in Armchair Graphene Nanoribbons

We report the plasmon dispersion characteristics of intrinsic and extrinsic armchair graphene nanoribbons of atomic width N = 5 using a p_z-orbital tight binding model with third-nearest-neighbor (3nn) coupling. The coupling parameters are obtained by fitting the 3nn dispersions to that of an extended Huckel theory. The resultant massive Dirac Fermion system has a band gap E_g \approx 64 meV. The extrinsic plasmon dispersion relation is found to approach a common dispersion curve as the chemical potential $\mu$ increases, whereas the intrinsic plasmon dispersion relation is found to have both energy and momentum thresholds. We also report an analytical model for the extrinsic plasmon group velocity in the q \rightarrow 0 limit

Plasmon dispersion in semimetallic armchair graphene nanoribbons

The dispersion relations for plasmons in intrinsic and extrinsic semimetallic armchair graphene nanoribbons (acGNR) are calculated in the random phase approximation using the orthogonal p_z-orbital tight binding method. Our model predicts new plasmons for acGNR of odd atomic widths N=5,11,17,... Our model further predicts plasmons in acGNR of even atomic width N=2,8,14,... related to those found using a Dirac continuum model, but with different quantitative dispersion characteristics. We find that the dispersion of all plasmons in semimetallic acGNR depends strongly on the localization of the p_z electronic wavefunctions. We also find that overlap integrals for acGNR behave in a more complex way than predicted by the Dirac continuum model, suggesting that these plasmons will experience a small damping for all q not equal to 0. Plasmons in extrinsic semimetallic acGNR with the chemical potential in the lowest (highest) conduction (valence) band are found to have dispersion characteristics nearly identical to their intrinsic counterparts, with negligible differencs in dispersion arising from the slight differences in overlap integrals for the interband and intraband transitions.Comment: 8 pages, 9 figure

A theoretical model for single molecule incoherent scanning tunneling spectroscopy

Single molecule scanning tunneling spectroscopy (STS), with dephasing due to elastic and inelastic scattering, is of some current interest. Motivated by this, we report an extended Huckel theory (EHT) based mean-field Non-equilibrium Green's function (NEGF) transport model with electron-phonon scattering treated within the self-consistent Born approximation (SCBA). Furthermore, a procedure based on EHT basis set modification is described. We use this model to study the effect of the temperature dependent dephasing, due to low lying modes in far-infrared range for which hw<<kT, on the resonant conduction through highest occupied molecular orbital (HOMO) level of a phenyl dithiol molecule sandwiched between two fcc-Au(111) contacts. Furthermore, we propose to include dephasing in room temperature molecular resonant conduction calculations.Comment: 12 pages, 5 figure