Related papers: Metallic atomic wires on a patterned dihydrogenete…
The Kekule patterns are realized in the metallic tubules and chain-like distortions occur in the semiconducting tubules.
The electronic properties of interfaces between two different solids can differ strikingly from those of the constituent materials. For instance, metallic conductivity, and even superconductivity, have been recently discovered at interfaces…
Single atom metallic wires of arbitrary length are of immense technological and scientific interest. We describe a novel silicon-only template enabling the self-organised growth of isolated micrometer long surface and subsurface single-atom…
The adsorption characteristics of alkali, alkaline earth and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon, are analyzed by means of first-principles calculations. In contrast to graphene, interaction…
In this work, we demonstrate that the interaction of electromagnetic waves with a microstructured material formed by metallic wires connected to a metallic surface can be described using homogenization methods provided an additional…
We present a systematic study of the electronic and magnetic properties of transition-metal (TM) atomic chains adsorbed on the zigzag single-wall carbon nanotubes (SWNTs). We considered the adsorption on the external and internal wall of…
Half-metals, featuring ideal 100\% spin polarization, are widely regarded as key materials for spintronic and quantum technologies; however, the half-metallic state is intrinsically fragile, as it relies on a delicate balance of exchange…
We study the stability and structure of self-assembled atomic chains on Si(111) induced by monovalent, divalent and trivalent adsorbates, using first-principles total-energy calculations and scanning tunneling microscopy. We find that only…
Alkaline earth mono-silicides ({\AE}Si, {\AE} $=$ Ca, Sr, Ba) are poor metals and their transport properties are not solely determined by the Zintl anion, in contrast to their Zintl-type composition. Their conducting network is formed by…
Silicon nanowires grown along the <100>-direction with a bulk Si core are studied with density functional calculations. Two surface reconstructions prevail after exploration of a large fraction of the phase space of nanowire…
We have studied the binding energies and electronic structures of metal (Ti, Al, Au) chains adsorbed on single-wall carbon nanotubes (SWNT) using first principles methods. Our calculations have shown that titanium is much more favored…
We study the Casimir interaction between a metallic cylindrical wire and a metallic spherical particle by employing the scattering formalism. At large separations, we derive the asymptotic form of the interaction. In addition, we find the…
We studied the mechanism of half-metallicity (HM) formation in transition metal doped (TM) conjugated carbon based structures by first-principles electronic structure simulations. It is found that the HM is a rather complex phenomenon,…
Networks of silicon nanowires possess intriguing electronic properties surpassing the predictions based on quantum confinement of individual nanowires. Employing large-scale atomistic pseudopotential computations, as yet unexplored branched…
Sodium, magnesium and aluminum adatoms, which, respectively, possess one, two and three valence electrons in terms of 3s, $3s^2$, and ($3s^2$, 3p) orbitals, are very suitable for helping us understand the adsorption-induced diverse…
Using density functional theory the ground state structural, electronic, and magnetic properties of monatomic lithium and sodium chains with low average density are investigated. A metallic, zigzag ground state structure is predicted but,…
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…
The recent article "Ohm's Law Survives to the Atomic Scale" by Weber et al. [Science 335, 64 (1021)] reveals ohmic transport in quantized P-in-Si wires. We argue that their results have two main deficiencies: (a) the interpretation of…
We explore the thermoelectric properties of gold atomic chains bridging gold electrodes by means of \textit{ab initio} and semi-empirical calculations, and heuristic reasoning. We predict the thermoelectric voltage induced by a temperature…
The self-assembly of submonolayer amounts of Au on the densely stepped Si(553) surface creates an array of closely spaced \atomic wires" separated by 1.5 nm. At low temperature, charge transfer between the terraces and the row of silicon…