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4 papers · 2 filters
Predictions for the formation of new atomic chains in Mechanically Controllable Break Junction experiments
Lucas Fernandez-Seivane, Victor M. Garcia-Suarez, Jaime Ferrer
We analyze the stability and magnetic properties of infinite zigzag atomic chains of a large number of late third, fourth and fifth-row transition metal atoms, as well as of the Gr…
Electronic Properties of Alkali- and Alkaline-Earth-Intercalated Silicon Nanowires
S. Sirichantaropass, V. M. García-Suárez, C. J. Lambert
We present a first-principles study of the electronic properties of silicon clathrate nanowires intercalated with various types of alkali or alkaline-earth atoms. We find that the…
Control of electron transport through Fano resonances in molecular wires
Theodoros Papadopoulos, Iain Grace, Colin Lambert
Using a first principles approach, we study the electron transport properties of two molecules of length 2.5nm which are the building blocks for a new class of molecular wires cont…
Tuning the electrical conductivity of nanotube-encapsulated metallocene wires
V. M. Garcia-Suarez, J. Ferrer, C. J. Lambert
We analyze a new family of carbon nanotube-based molecular wires, formed by encapsulating metallocene molecules inside the nanotubes. Our simulations, that are based on a combinati…