166 citations · 964 across the 25 of their papers we have counts for
6 papers · 1 filter
Efficient atomic self-interaction correction scheme for non-equilibrium quantum transport
C. Toher, S. Sanvito
Density functional theory calculations of electronic transport based on local exchange and correlation functionals contain self-interaction errors. These originate from the interac…
Resonant magnetoresistance in organic spin-valves
Alexandre Reily Rocha, Stefano Sanvito
We investigate theoretically the effects of surface states over the magnetoresistance of Ni-based organic spin-valves. In particular we perform {\it ab initio} electronic transport…
Molecular-Spintronics: the art of driving spin through molecules
Stefano Sanvito, Alexandre Reily Rocha
Spintronics is the ability of injecting, manipulating and detecting electron spins into solid state systems. Molecular-electronics investigates the possibility of making electronic…
Ab initio study on the magneto-structural properties of MnAs
Ivan Rungger, Stefano Sanvito
The magnetic and structural properties of MnAs are studied with ab initio methods, and by mapping total energies onto a Heisenberg model. The stability of the different phases is f…
Magneto-mechanical interplay in spin-polarized point contacts
Maria Stamenova, Sudhakar Sahoo, Cristian G. Sanchez +2
We investigate the interplay between magnetic and structural dynamics in ferromagnetic atomic point contacts. In particular, we look at the effect of the atomic relaxation on the e…
On-site approximation for spin-orbit coupling in LCAO density functional methods
Lucas Fernandez-Seivane, Miguel A. Oliveira, Stefano Sanvito +1
We propose a computational method that simplifies drastically the inclusion of spin-orbit interaction in density functional theory implemented on localised atomic orbital basis set…