Related papers: Pentagonal nanowires: a first-principles study of …
The relative stability of the vortex, onion and ferromagnetic phases in nanorings is examined as a function of the ring geometry. Total energy calculations are carried out analytically, based on simple models for each configuration. Results…
We investigate theoretically and numerically the photonic band structure in the optical domain of an array of core-shell metal-semiconductor nanowires. Corresponding negative-index photonic bands are calculated, showing isotropic…
The PTCDA (3,4,9,10-Perylene-tetracarboxylic dianhydride) and the NTCDA (1,4,5,8-Naphtalenetetracarboxylic dianhydride) are aromatic, stable, planar and highly symmetric with unusual electrical properties. The PTCDA is a semiconductor…
We present a first-principle study of the electronic and conduction properties of a few classes of nanowires constituted of guanine (G) molecules, self-assembled in different geometries. We first analyze the effect of the vertical…
We explore the spin and charge properties of electrons in wurtzite semiconductor nanowires where radial and axial confinement leads to tubular or ring-shaped quantum structures. Accounting for spin-orbit interaction induced by the wurtzite…
We highlight the emergence of metallic states in two-dimensional transition-metal-dichalcogenide nanostructures -nanoribbons, islands, and inversion domain boundaries- as a widespread and universal phenomenon driven by the polar…
We present a simple and general method for construction of localized orbitals to describe electronic structure of extended periodic metals and insulators as well as confined systems. Spatial decay of these orbitals is found to exhibit…
We propose that systems exhibiting compositional patterning at the nanoscale, so far assumed to be due to some kind of ordered phase segregation, can be understood instead in terms of coherent, single phase ordering of minority motifs,…
Electromagnetic waves impinging on three-dimensional helical metallic metamaterials have been shown to exhibit chiral effects of large magnitude both theoretically and in experimental realizations. Chirality here describes different…
The results of fabrication and characterization of atomic structure of nanocrystalline thin layers of Y2O3 in cubic and monoclinic phases is reported. Experimental data demonstrate crystalline ordering in nanocrystalline films with average…
We report ab initio investigations of hexagon-shaped, [111]/[0001] oriented III-V semiconductor nanowires with varying crystal structure, surface passivation, surface orientation, and diameter. Their stability is dominated by the free…
Using the Landauer formulation of transport theory and tight binding models of the electronic structure, we study electron transport through atomic wires that form 1D constrictions between pairs of metallic nano-contacts. Our results are…
Three-dimensional pentamode metamaterials are artificial solids that approximately behave like liquids, which have vanishing shear modulus. Pentamodes have recently become experimental reality. Here, we calculate their phonon band…
Phenyl-disubstituted polyacetylene (PDPA) is an organic semiconductor which has been studied during the last years for its efficient photo-luminescence. In contrast, the molecular geometry, providing the basis for the electronic and optical…
We report on spectroscopy of a single dopant atom in silicon by resonant tunneling between source and drain of a gated nanowire etched from silicon on insulator. The electronic states of this dopant isolated in the channel appear as…
We evaluate the electronic, geometric and energetic properties of quasi 1-D wires formed by dangling bonds on Si(100)-H (2 x 1). The calculations are performed with density functional theory (DFT). Infinite wires are found to be insulating…
We present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities $v = 0.02-10~\mathrm{a.u.}$ where we take into account non-linear effects. Time-dependent density functional theory…
The electronic structure of nanocylinder without and with a small perturbation is investigated with the help of calculation of the local density of states. A continuum gauge field-theory model is used for this purpose. In this model, Dirac…
Transmission electron microscopy experiments have recently observed gold metal nanocylinders to thin down in a discrete manner: A kink--a step of order of one atomic layer--nucleates at one end and then moves along the wire, leaving a…
Cylindrical magnetic nanowires are promising systems for the development of three-dimensional spintronic devices. Here, we simulate the evolution of magnetic states during fabrication of strongly-coupled cylindrical nanowires with varying…