Sharif Digital Repository

In this work we investigate the thermal conductivity of graphene-based antidot lattices. A third nearest-neighbor tight-binding model and a forth nearest-neighbor force constant model are employed to study the electronic and phononic band structures of graphene-based antidot lattices. Ballistic transport models are used to evaluate the electronic and the thermal conductivities. Methods to reduce the thermal conductivity and to increase the thermoelectric figure of merit of such structures are studied. Our results indicate that triangular antidot lattices have the smallest thermal conductivity due to longer boundaries and the smallest distance between the neighboring dots  

A nanoscale logic NOR gate has been theoretically designed by magnetic flux inputs in a Z-shaped graphene nanoribbon composed of an armchair ribbon device sandwiched between two semi-infinite metallic zigzag ribbon leads. The calculations are based on the tight-binding model and iterative Green's function method, in which the conductance as well as current-voltage characteristics of the nanosystem are calculated, numerically. We show that the current and conductance are highly sensitive to both the magnetic fluxes subject to the device and the size of the system. Our results may have important applications for building blocks in the nanoelectronic devices based on graphene nanoribbons  

The thermoelectric properties of graphene-based antidot lattices are theoretically investigated. A third nearest-neighbor tight-binding model and a fourth nearest-neighbor force constant model are employed to study the electronic and phononic band structures of graphene antidot lattices with circular, rectangular, hexagonal, and triangular antidot shapes. Ballistic transport models are used to evaluate transport coefficients. Methods to reduce the thermal conductance and to increase the thermoelectric power factor of such structures are studied. Our results indicate that triangular antidot lattices have the smallest thermal conductance due to longer boundaries and the smallest distance... 

This letter discusses the surface-reconstruction-induced self-twisting behavior of Si100 nanobelts and nanowires (NWs) with rectangular cross section. Giving a thorough physical interpretation, we explain the reason behind this phenomenon and present a continuum-based model. It is revealed that these structures can self-assemble into both right- and left-handed helicoids depending on their crystal arrangements. More specifically, for NWs with the same number of layers in each of their cross sections directions, two distinct values of torsion angle are possible for each of right- and left-handed twisted morphologies. In conclusion, four modes of torsion can be observed in Si100 NWs.... 

We theoretically investigate the effect of superconductivity on the ultrafast electron dynamics in graphene interacting with an ultrashort linearly polarized optical pulse. The optical pulse, with frequency greater than 1 THz, quadratically couples to the Higgs (amplitude) mode and therefore can excite the Higgs-mode oscillations in superconductors, leading to quenching superconducting excitation energy, even in s-wave pairing symmetry. Since the duration of the used pulse is less than the electron scattering time in graphene (10-100 fs), the electron dynamics driven by the electric field of pulse remains coherent and is described within the tight-binding model of graphene. We show that the... 

We theoretically investigate the thermoelectric properties of zigzag graphene nanoribbons in the presence of extended line defects, substrate impurities, and edge roughness along the nanoribbon's length. A nearest-neighbor tight-binding model for the electronic structure and a fourth nearest-neighbor force constant model for the phonon bandstructure are used. For transport, we employ quantum mechanical non-equilibrium Green's function simulations. Starting from the pristine zigzag nanoribbon structure that exhibits very poor thermoelectric performance, we demonstrate how after a series of engineering design steps the performance can be largely enhanced. Our results could be useful in the... 

Effective masses are calculated for a large variety of perovskites of the form ABX3 differing in chemical composition (A= Na, Li, Cs; B = Pb, Sn; X= Cl, Br, I) and crystal structure. In addition, the effects of some defects and dopants are assessed. We show that the effective masses are highly correlated with the energies of the valence-band maximum, conduction-band minimum, and band gap. Using the k·p theory for the bottom of the conduction band and a tight-binding model for the top of the valence band, this trend can be rationalized in terms of the orbital overlap between halide and metal (B cation). Most of the compounds studied in this work are good charge-carrier transporters, where the... 

In this paper, the electrical characteristics of vertical tunneling bilayer graphene field effect transistor (VTBGFET) are theoretically investigated. We evaluate the device behavior using nonequilibrium Green's function (NEGF) formalism combined with an atomistic tight binding model. By using this method, we extract the most significant figures of merit such as ON/OFF current ratio, subthreshold swing, and intrinsic gate-delay time. The results indicate that using a bilayer graphene instead of a monolayer graphene as the base material for the source and drain regions leads to a larger ON/OFF current ratio due to the presence of an energy bandgap in biased bilayer graphene. Also, the... 

Effective masses are calculated for a large variety of perovskites of the form ABX3 differing in chemical composition (A= Na, Li, Cs; B = Pb, Sn; X= Cl, Br, I) and crystal structure. In addition, the effects of some defects and dopants are assessed. We show that the effective masses are highly correlated with the energies of the valence-band maximum, conduction-band minimum, and band gap. Using the k·p theory for the bottom of the conduction band and a tight-binding model for the top of the valence band, this trend can be rationalized in terms of the orbital overlap between halide and metal (B cation). Most of the compounds studied in this work are good charge-carrier transporters, where the...