Related papers: The recursive Green's function method for graphene
We investigate electron and phonon transport through edge disordered zigzag graphene nanoribbons based on the same methodological tool of nonequilibrium Green functions. We show that edge disorder dramatically reduces phonon thermal…
We report on a theoretical study of the effects of time-dependent fields on electronic transport through graphene nanoribbon devices. The Fabry-P\'{e}rot interference pattern is modified by an ac gating in a way that depends strongly on the…
We have recently shown that by using a scaling approach for randomly distributed topological defects in graphene, reliable estimates for transmission properties of macroscopic samples can be calculated based even on single-defect…
We provide a theoretical study of the conductance response of systems based on graphene nanoribbon to the potential of a scanning probe. The study is based on the Landauer approach for the tight-binding Hamiltonian with an implementation of…
The recursion and path-integral methods are applied to analytically study the electronic structure of a neutral $C_{60}$ molecule. We employ a tight-binding Hamiltonian which considers both the $s$ and $p$ valence electrons of carbon. From…
We present a detailed treatment of the nonequilibrium Green's function method for thermal transport due to atomic vibrations in nanostructures. Some of the key equations, such as self-energy and conductance with nonlinear effect, are…
Atomically precise graphene nanoribbons are a promising emerging class of designer quantum materials with electronic properties that are tunable by chemical design. However, many challenges remain in the device integration of these…
The electronic nonlinear transport through ultra narrow graphene nanoribbons (sub-$10nm$) is studied. A stable region of negative differential resistance (NDR) appears in the I-V characteristic curve of {\it odd} zigzag graphene nanoribbons…
We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…
Finite-length armchair graphene nanoribbons can behave as one dimensional topological materials, that may show edge states in their zigzag-terminated edges, depending on their width and termination. We show here a full solution of…
A novel nanoelectronic device is constructed by graphyne that is robustly connected between graphene electrodes, where graphyne is composed of hexagonal carbon rings and carbon chains. Owing to similarities between the bond lengths and unit…
We describe a method and its implementation for calculating electronic structure and electron transport without approximating the structure using periodic super-cells. This effectively removes spurious periodic images and interference…
Graphene has been shown to exhibit a nonlinear response due to its unique band structure. In this paper, we study the terahertz (THz) response metallic armchair graphene nanoribbons, specifically current density and Rabi oscillations beyond…
We present a general nonequilibrium Green's function formalism for modeling heat transfer in systems characterized by linear response that establishes the formal algebraic relationships between phonon and radiative conduction, and reveals…
An efficient and compact approach to the inclusion of dissipative effects in Non-Equilibrium Green's Function (NEGF) simulations of electronic systems is introduced. The algorithm is based on two well known methods in the literature,…
We investigate the low-lying excitation spectrum and ground-state properties of narrow graphene nanoribbons with zigzag edge configurations. Nanoribbons of comparable widths have been synthesized very recently [P. Ruffieux, \emph{et al.}…
The coherent transport properties of armchair graphene nanoconstrictions(GNC) are studied using tight-binding approach and Green's function method. We find a non-bonding state at zero Fermi energy which results in a zero conductance valley,…
The current flow along the boundary of graphene stripes in a perpendicular magnetic field is studied theoretically by the nonequilibrium Green's function method. In the case of specular reflections at the boundary, the Hall resistance shows…
Quantum-dot states in graphene nanoribbons (GNR) were calculated using density-functional theory, considering the effect of the electric field of gate electrodes. The field is parallel to the GNR plane and was generated by an inhomogeneous…
On the basis of first principles calculations, we report energy estimated to cut a graphene sheet into nanoribbons of armchair and zigzag configurations. Our calculations show that the energy required to cut a graphene sheet into zigzag…