Sharif Digital Repository

In this paper the band structure of spin polarized zigzag graphene nanoribbons(ZGNRs) and armchair graphene nanoribons(AGNRs) with Stone-Wales defect are investigated. The results show when the spin effect is considered, the band structures of ZGNRs and AGNRs will be changed and modified. A larger gap will be created and the degenerate bands in ZGNRs will become far from each other. Tight-binding and hubard model were used to simulate the band structures  

We report a first principles study on the electronic and transport properties of bilayer armchair graphene nanoribbons (BLAGNRs) containing Stone-Wales (SW) defect. It is shown that in the presence of SW defect in BLAGNRs, some electron localization occurs in defect atoms and degradation of transmission is observed in specific energy regions. The strength of electron localization is dependent on the symmetry of SW defect. In case of symmetric SW defect, stronger electron localization leads to sharper dip in its transmission spectrum in comparison with the broad dip in the transmission spectrum of the BLAGNR containing asymmetric SW defect. The effect of electron localization is also evident... 

In this paper, the effects of Stone-Wales (SW) defect on transport properties of armchair graphene nanoribbons (AGNRs) are studied using tight binding calculations combined with nonequilibrium Green's function (NEGF). We evaluate transmission and density of states (DOS) in two cases, pristine and defective AGNR, and we compare the results. Our results indicate that in the latter case, a larger bandgap is made due to symmetry breaking in GNR layer  

This article presents a novel armchair graphene nanoribbon (AGNR) field-effect transistor with engineered nanopores for resonant tunneling. Two rectangular nanopores are punched to create two potential barriers and one quantum well. Channel and source and drain contacts are AGNR, indicating structure homogeneity. Nonequilibrium Green's function and Poisson's equations are used for structural analysis. The input variables are well width (WW), drain voltage (VD), and barrier width (BW). The effects of repositioning nanopores and AGNR type (i.e., semiconductor and semimetal) are also studied. The impact of the parameters on the density of states, transmission probabilities, peak current (IP)... 

In this work, spin transport in corrugated armchair graphene nanoribbons (AGNRs) is studied. We survey combined effects of spin-orbit interaction and surface roughness, employing the non-equilibrium Green's function formalism and multi-orbitals tight-binding model. Rough substrate surfaces have been statistically generated and the hopping parameters are modulated based on the bending and distance of corrugated carbon atoms. The effects of surface roughness parameters, such as roughness amplitude and correlation length, on spin transport in AGNRs are studied. The increase of surface roughness amplitude results in the coupling of σ and π bands in neighboring atoms, leading to larger spin... 

The effect of Stone-Wales (SW) defect on the performance of an armchair graphene nanoribbon (AGNR)-based photodetector is studied. To model the SW defect two new tight-binding (TB) parameters are proposed that provide results that are in good agreement with density functional theory calculations. SW defect is introduced in different locations in the channel of the AGNR detector and the photocurrent, quantum efficiency and responsivity of defected structures are calculated using TB approximation and non-equilibrium Green's function formalism. By inspecting the photo-generated hole density in different points of the channel, the way that photocurrent is affected by SW defect in different... 

Following our recent study on the electronic properties of rough nanoribbons , in this paper the role of geometrical and roughness parameters on the thermal properties of armchair graphene nanoribbons is studied. Employing a fourth nearest-neighbor force constant model in conjuction with the nonequilibrium Green's function method the effect of line-edge-roughness on the lattice thermal conductivity of rough nanoribbons is investigated. The results show that a reduction of about three orders of magnitude of the thermal conductivity can occur for ribbons narrower than 10 nm. The results indicate that the diffusive thermal conductivity and the effective mean free path are directly proportional... 

Graphene nanoribbon field effect transistors are promising devices for beyond-CMOS nanoelectronics. Graphene is a semiconductor material with zero bandgap and its bandgap must be changed. One of the opening bandgap methods is using graphene nanoribbons. By applying a defect, there is more increase on band gap of monolayer armchair graphene nanoribbon field effect transistor. So, by applying more than one defect, we can reach to much more increase in bandgap of graphene nanoribbon field effect transistors (GNRFET). In this paper, double-gated monolayer armchair graphene nanoribbon field effect transistors (GNRFET) with one single vacancy (1SV) defect (so-called 1SVGNRFET)are simulated and... 

Carbon nanotubes (CNT) have unique electronic properties and remarkable optical properties. Despite of on layer thickness of CNTs, it has able to absorb photons from visible to far infrared and terahertz. These unique properties lets to create heterojunction devices by semiconductor/CNTs or metal/CNTs junctions e.g. photodiodes, sensor and heterojunction solar cell. The CNTs can play the role of a heterojunction component for charge separation as a high conductive network for charge transport and as a transparent electrode for light illumination and charge collection. The main objective of the present article is to establish a relation between interface recombination and the characteristics... 

In this paper, the characteristics of an armchair graphene nanoribbon spin FET (SFET) are investigated in the presence and absence of surface roughness, by employing a multiorbital tight-binding method along with the nonequilibrium Green's function approach. It is found that the bandgap monotonically decreases with increasing the vertical electric field, since Stark effect enhances spin-flip rate under a high vertical electric field. Furthermore, spin transport in the presence of a random potential, which is induced by the concurrent effect of the applied vertical electric field and surface roughness, is carefully analyzed. This random potential strongly scatters carriers and reduces spin... 

In this work, a new structure of single layer armchair graphene nanoribbon field effect transistor with the Stone–Wales (SW) defect (SWGNRFET) is studied. The simulations are solved with Poisson–Schrödinger equation self-consistently by using Non-Equilibrium Green Function (NEGF) and in the real space approach. The energy band structure is obtained by approximation tight-binding method. The results show that displacement of a defect in the width of the channel of the new structure is led to 50% increase in ION/IOFF ratio only by rotating of a C–C (Carbon–Carbon) bond with similar behavior. But, a remarkable increase of 300% in ION/IOFF ratio is obtained by a “dual center” defect. The results... 

In this paper, some important circuit parameters of a monolayer armchair graphene nanoribbon (GNR) field effect transistor (GNRFET) in different structures are studied. Also, these structures are Ideal with no defect, 1SVGNRFET with one single vacancy defect, and 3SVsGNRFET with three SV defects. Moreover, the circuit parameters are extracted based on Semi Classical Top of Barrier Modeling (SCTOBM) method. The I-V characteristics simulations of Ideal GNRFET, 1SVGNRFET and 3SVsGNRFET are used for comparing with SCTOBM method. These simulations are solved with Poisson-Schrodinger equation self-consistently by using Non- Equilibrium Green Function (NEGF) and in the real space approach. The...