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We propose a novel type of bi-anisotropic hybrid metal-dielectric structure comprising dielectric and metallic cylindrical wedges wherein the composite meta-cylinder enables advanced control of electric, magnetic and magnetoelectric…
We study the interplay of intrinsic-electronic and environmental factors on long-range charge transport across molecular chains with up to $N\sim 80$ monomers. We describe the molecular electronic structure of the chain with a tight-binding…
Hyperbolic metamaterials (HMM) are artificially engineered materials that are congenial for light-matter interaction studies and nanophotonic applications with the hyperbolic dispersion of light propagating through them, which offers a…
Using first-principles calculations, we study the structural and electronic properties of the bilayer SnS/graphene, bilayer SnS/bilayer graphene (AA-stacked), bilayer SnS/bilayer graphene (AB-stacked) and monolayer SnS/graphene/monolayer…
In this paper, we study the conductance of the graphene nanoribbons(GNRs) in the presence of the Stone-Wales(S-W) reconstruction, using the transfer matrix method. The ribbon is connected with semi-infinite quantum wires as the leads. The…
We study transport properties of weakly interacting one-dimensional electron systems including on an equal footing thermal equilibration due to three-particle collisions and the effects of large-scale inhomogeneities. We show that…
A general linear stability analysis of simple metal nanowires is presented using a continuum approach which correctly accounts for material-specific surface properties and electronic quantum-size effects. The competition between surface…
We investigate the non-equilibrium transport properties of a disordered molecular nanowire. The nanowire is regarded as a quasi-one-dimensional organic crystal composed of self-assembled molecules. One orbital and a single random energy are…
The development of rotary nanomotors is crucial for further advancing NEMS technology. In this work, we report innovative design, assembly, and rotation of ordered arrays of nanomotors. The nanomotors were bottom-up assembled from nanoscale…
We report how the electron transport through a solid-state metal/Gly-Gly-His tripeptide (GGH) monolayer/metal junction and the metal/GGH work function are modified by the GGH complexation with Cu2+ ions. Conducting AFM is used to measure…
The spin-polarized electronic structure and half-metallicity of zigzag graphene nanoribbons (ZGNRs) with asymmetric edge terminations are investigated by using first principles calculations. It is found that compared with symmetric…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
We study the nonlinear optical properties of heterojunctions made of graphene nanoribbons (GNRs) consisting of two segments with either the same or different topological properties. By utilizing a quantum mechanical approach that…
The mobility of p-type nanowires (NWs) of diameters of D=12nm down to D=3nm, in [100], [110], and [111] transport orientations is calculated. An atomistic tight-binding model is used to calculate the NW electronic structure. Linearized…
Understanding of charge transport mechanisms in nanoscale structures is essential for the development of molecular electronic devices. Charge transport through 1D molecular systems connected between two contacts is influenced by several…
Semiconducting diode with nonreciprocal transport effect underlies the cornerstone of contemporary integrated circuits (ICs) technology. Due to isotropic superconducting properties and the lack of breaking of inversion symmetry for…
Gold nanowires generated by mechanical stretching have been shown to adopt only three kinds of configurations where their atomic arrangements adjust such that either the [100], [111] or [110] zone axes lie parallel to the elongation…
Nonreciprocal devices that permit wave transmission in only one direction are indispensible in many fields of science including, e.g., electronics, optics, acoustics, and thermodynamics. Manipulating phonons using such nonreciprocal devices…
In this thesis we study electron transport through magnetic nanocontacts and nanowires with ab initio quantum transport calculations. The aim is to gain a thorough understanding of the interplay between electrical conduction and magnetism…
Using nanowires for photodetection constitutes an opportunity to enhance the absorption efficiency while reducing the electrical cross-section of the device. They present interesting features like compatibility with silicon substrates,…