374 citations · 2.9k across the 80 of their papers we have counts for
3 papers · 1 filter
Single channel conductance of H molecules attached to platinum or palladium electrodes
V. M. Garcia-Suarez, A. R. Rocha, S. W. Bailey +3
We report a detailed theoretical study of the bonding and conduction properties of an hydrogen molecule joining either platinum or palladium electrodes. We show that an atomic arra…
Zener quantum dot spin filter in a carbon nanotube
D. Gunlycke, J. H. Jefferson, S. W. D. Bailey +3
We predict and analyze a novel spin filter in semiconducting carbon nanotubes. By using local electrostatic gates, the conduction and valence bands can be modulated to form a doubl…
First principles simulations of the magnetic and structural properties of Iron
V. M. Garcia-Suarez, C. M. Newman, C. J. Lambert +2
We have implemented non-collinear GGA and a generalized Bloch's theorem to simulate unconmensurate spiral arrangements of spins in a Density Functional Theory code based on localiz…