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We report on a numerical study of quantum transport in disordered two dimensional graphene and graphene nanoribbons. By using the Kubo and the Landauer approaches, transport length scales in the diffusive (mean free path, charge mobilities)…
The electronic and transport properties of hybrid armchair zigzag nanostructures including U-shaped graphene nanoribbons and patterned nanopores structured graphene were studied using combination of density functional theory and…
The discovery of the quantum spin Hall effect led to the exploration of the electronic transport for spintronic devices. Here, we theoretically investigated the electronic conductance in large-gap realistic quantum spin Hall system,…
The conductivity of armchair graphene nanoribbons in the presence of short-range impurities and edge roughness is studied theoretically using the Boltzmann transport equation for quasi-one-dimensional systems. As the number of occupied…
We investigate electronic and transport properties of bismuth (111) bilayer in the context of stability of its topological properties against different perturbations. The effects of spin-orbit coupling variations, geometry relaxation and an…
During the last years there has been much interest, and theoretical discussion, about the possibility to use spin-orbit coupling to control the carriers spins in two-dimensional semiconducting heterostructures. Spin polarization at the…
The quantum dynamics of carriers bound to helical tube surfaces is investigated in a thin-layer quantization scheme. By numerically solving the open-boundary Schr$\ddot{\rm o}$dinger equation in curvilinear coordinates, geometric effect on…
Spectral and transport properties of electrons in confined phosphorene systems are investigated in a five hopping parameter tight-binding model, using analytical and numerical techniques. The main emphasis is on the properties of the…
We study the effects of spin orbit interactions on the low energy electronic structure of a single plane of graphene. We find that in an experimentally accessible low temperature regime the symmetry allowed spin orbit potential converts…
Experimentally observation of borophene nanoribbons (BNRs) motivated us to carry out a comprehensive investigation on BNRs, decomposed from {\chi}_3 sheet, using density functional theory. Our results show that the stability and also the…
Structural and electronic properties, including deformation, magnetic moment, Mulliken population, bond order as well as electronic transport properties, of zigzag graphene nanoribbon (ZGNR) with Co adatom on hollow site are investigated by…
Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…
We investigate charge transport in pentacene-graphene nanojunctions employing density functional theory (DFT) electronic structure calculations and the Landauer transport formalism. The results show that the unique electronic properties of…
Grain boundaries play a major role for electron transport in graphene sheets grown by chemical vapor deposition. Here we investigate the electronic structure and transport properties of idealized graphene grain boundaries (GBs) in…
The success of all-graphene electronics is severely hindered by the challenging realization and subsequent integration of semiconducting channels and metallic contacts. Here, we comprehensively investigate the electronic transport across…
We present an ab initio study of the structural, electronic, and quantum transport properties of B-N-complex edge-doped graphene nanoribbons (GNRs). We find that the B-N edge codop-ing is energetically a very favorable process and…
We study spin-dependent transport through a quantum nanostructure composed of a quantum dot (QD) surrounded by a quantum nanoring. The nanostructure is side-attached to source and drain electrodes and we assume that the confining potential…
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…
Spin-orbit interactions are known to have drastic effects on the band structure of heavy-element-based materials. Celebrated examples are the recently identified 3D and 2D topological insulators. In those systems transport takes place at…
We study electronic transport in graphene nanoribbons with rough edges. We first consider a model of weak disorder that corresponds to an armchair ribbon whose width randomly changes by a single unit cell size. We find that in this case,…